#DEFINITION	Reference Metabolome for Sedum alfredii
#IDENTTFIER	RefMeta-Sedum alfredii.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Sedum alfredii
#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 Sedum alfredii was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67645	0.5
52.74078	0.5
54.89057	0.5
57.03453	1.1
58.00592	0.8
59.01379	100.0
60.01709	1.6
61.98832	2.2
71.01379	14.0
72.99321	0.6
73.02930	2.5
79.71882	0.5
83.01401	1.3
85.02956	3.0
87.00898	1.2
88.98843	1.2
89.02442	17.8
95.01405	1.0
98.20703	1.1
99.00925	0.9
101.02443	10.2
103.00386	3.1
106.34892	0.5
113.02453	7.4
119.03506	7.6
125.02473	0.7
131.03540	1.0
135.45659	0.5
137.09753	2.0
143.03520	1.9
146.03720	0.6
161.04512	2.7
161.13287	0.6
179.05650	4.5
179.07053	0.7
187.11224	0.6
201.02003	1.5
223.13422	3.8
236.50240	0.6
249.11464	1.0
255.02943	0.8
265.40237	0.6
267.12372	6.3
268.12802	0.8
282.73557	0.6
285.04092	1.2
429.08377	0.7
429.21945	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	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52415	0.4
54.55014	0.3
54.82052	0.3
55.01881	0.9
56.26139	0.4
57.03448	1.7
58.00607	0.9
58.71135	0.4
59.01379	100.0
60.01720	0.6
61.98819	1.2
69.89282	1.8
71.01380	19.2
72.99319	0.6
73.02947	6.8
78.94351	0.3
81.60419	0.4
83.01396	2.4
85.02951	7.9
87.00860	2.2
89.02449	5.3
95.01400	1.9
95.05028	0.4
97.02938	0.7
99.00896	2.0
99.92603	1.5
101.02443	14.4
103.00397	1.4
111.00901	1.1
113.02442	7.0
113.03168	0.6
115.05730	0.4
115.92084	3.1
116.22221	0.4
116.92844	6.3
116.93594	0.5
119.03516	1.7
121.06631	0.5
125.02474	1.7
131.03545	0.7
137.09714	2.2
138.05676	0.5
139.07660	1.4
142.94449	0.8
143.03539	1.8
151.11301	0.5
152.07257	0.5
158.93925	1.3
159.02971	0.9
161.04539	6.0
161.09656	0.4
161.13365	0.4
165.12869	0.8
167.14507	0.7
187.11285	0.5
189.12819	1.0
195.13976	0.7
205.12282	0.8
207.13853	0.8
219.13869	2.4
223.13417	2.8
225.14937	9.6
226.15372	0.6
249.15030	0.4
267.12430	2.3
267.15891	2.2
287.65894	0.4
300.58990	0.4
306.30618	0.4
321.17099	1.1
344.07874	1.1
351.18167	1.8
369.19189	21.6
370.19437	1.9
387.20239	24.7
388.20477	2.7
429.08652	1.1
429.21445	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98819	2.4
68.89423	0.8
69.63067	3.8
96.96004	1.0
108.69586	0.8
135.62167	0.9
157.08136	1.1
227.68967	0.9
268.04977	1.1
410.38077	1.0
429.29852	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	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25489	0.4
55.77197	0.4
59.01379	100.0
60.01701	1.1
61.98829	1.3
63.34651	0.4
64.36272	0.4
69.50887	1.8
69.51301	0.9
71.01388	3.1
73.02956	1.3
73.04033	0.4
83.95506	0.4
85.02966	1.1
88.04056	0.8
89.02467	1.1
96.00916	0.6
96.96040	0.7
97.02942	0.5
98.02464	1.3
99.00938	0.5
101.02444	2.2
113.02477	1.4
113.03621	0.6
115.05133	0.7
115.62157	0.5
121.02961	0.5
121.06628	0.5
124.83529	0.5
129.10344	0.7
130.04257	5.0
130.08740	4.9
131.05031	20.4
132.05392	0.9
149.06075	39.4
150.06413	2.0
161.04539	2.1
165.05563	4.0
167.46873	0.4
185.16782	0.5
199.18230	0.7
256.20264	0.4
266.86411	0.4
369.15570	1.5
394.19827	2.7
399.26459	0.9
411.22803	1.2
429.18112	3.4
429.23090	1.3
429.27444	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	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58865	0.1
61.98831	0.3
70.06942	0.6
71.32610	0.1
88.30437	0.1
94.72479	0.2
99.00884	0.2
99.92583	5.2
100.92689	0.4
100.93359	3.8
101.93410	0.1
113.92708	0.2
115.92079	100.0
116.92088	4.4
116.92869	6.0
117.92522	0.2
132.92336	1.0
155.95207	0.3
172.95456	5.3
173.95567	0.3
178.03401	0.1
255.23308	0.8
264.86246	0.1
355.15958	0.6
356.15802	0.3
371.15479	0.4
381.17456	0.7
411.18240	0.2
429.19464	5.6
430.19702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67645	0.5
52.74078	0.5
54.89057	0.5
57.03453	1.1
58.00592	0.8
59.01379	100.0
60.01709	1.6
61.98832	2.2
71.01379	14.0
72.99321	0.6
73.02930	2.5
79.71882	0.5
83.01401	1.3
85.02956	3.0
87.00898	1.2
88.98843	1.2
89.02442	17.8
95.01405	1.0
98.20703	1.1
99.00925	0.9
101.02443	10.2
103.00386	3.1
106.34892	0.5
113.02453	7.4
119.03506	7.6
125.02473	0.7
131.03540	1.0
135.45659	0.5
137.09753	2.0
143.03520	1.9
146.03720	0.6
161.04512	2.7
161.13287	0.6
179.05650	4.5
179.07053	0.7
187.11224	0.6
201.02003	1.5
223.13422	3.8
236.50240	0.6
249.11464	1.0
255.02943	0.8
265.40237	0.6
267.12372	6.3
268.12802	0.8
282.73557	0.6
285.04092	1.2
429.08377	0.7
429.21945	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	428.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68336	2.4
59.01379	30.0
61.98829	100.0
65.12019	2.8
67.78076	2.1
71.01379	20.2
72.99299	3.8
73.02930	6.5
87.00904	2.6
89.02441	49.9
99.00878	14.2
101.02457	24.5
108.90173	11.1
110.89938	3.4
113.02399	5.6
128.89215	6.3
130.88939	11.5
131.03474	9.6
132.88635	2.6
135.92029	2.5
139.45107	2.1
141.65236	2.6
143.03502	2.3
144.86957	3.6
149.04576	61.8
150.04820	3.0
150.29187	2.3
152.93677	4.7
161.04533	4.7
179.95459	11.2
191.05556	11.7
198.90845	2.4
203.99290	2.8
206.93687	2.7
212.67293	2.2
221.06700	9.9
225.92625	9.8
230.89186	2.9
251.07692	11.1
272.22812	2.5
293.08768	7.0
311.09866	16.6
392.15460	6.5
396.98138	3.1
428.13229	71.4
429.13516	7.9
450.95517	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
59.01379	18.8
61.98835	0.6
71.01376	3.5
71.52239	0.5
72.99294	0.4
73.02937	0.9
76.22466	0.3
83.01392	0.6
84.93878	1.0
85.02947	1.4
89.02454	1.1
93.03481	0.3
93.46468	0.3
96.96022	1.2
98.95579	1.0
99.92584	31.5
100.92609	1.7
100.93367	4.8
101.02427	3.1
103.00376	2.3
103.43095	0.4
113.02466	1.7
114.92039	0.5
114.94930	6.0
115.92077	62.9
116.92214	4.4
116.92857	100.0
117.61667	0.3
117.92879	4.8
117.93658	0.6
119.03493	0.6
125.02410	0.9
132.92308	0.7
137.09688	0.9
140.92874	2.0
142.94420	12.7
143.94449	0.9
156.92345	2.3
157.93152	0.6
158.93904	27.5
159.93954	1.4
161.04538	1.0
170.39328	0.4
173.92632	0.6
174.74474	0.3
174.93405	5.2
175.93385	0.4
184.91820	7.5
186.93407	5.0
187.02422	0.4
189.12854	0.4
199.68933	0.3
202.92897	3.4
205.28705	0.3
225.14873	2.1
243.15945	0.4
267.16177	0.5
285.39243	0.3
297.07867	0.3
311.09677	0.5
325.07346	0.8
327.09103	1.7
343.08530	3.1
351.17935	0.4
355.08453	1.3
369.19177	2.3
385.09549	6.3
386.09613	0.8
387.20197	3.0
429.08548	17.8
429.21338	0.6
430.08798	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	429.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08113	0.7
59.01365	2.7
61.98829	10.4
70.71174	1.9
80.92201	0.7
99.92584	59.9
100.92604	3.8
100.93387	4.5
115.92079	86.8
116.92136	4.9
116.92860	100.0
117.92903	5.3
123.08114	0.9
125.09725	1.7
132.92374	0.9
136.56415	0.8
139.11313	1.4
153.09196	1.1
156.92268	0.9
170.50963	0.7
171.10225	1.8
186.02075	0.7
224.01320	1.0
239.03745	1.7
253.01797	1.6
254.02512	0.9
255.03239	3.6
265.01837	1.0
267.03275	22.3
268.03595	2.1
271.02740	1.1
285.04303	1.0
287.02310	2.5
329.23264	1.5
375.12585	1.3
393.13745	46.8
394.13940	7.5
400.15210	0.8
429.15857	41.4
430.16284	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	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75495	0.8
59.01379	100.0
61.98835	4.1
71.21387	1.3
85.81367	0.7
86.82336	0.8
95.12516	0.8
105.56766	1.0
172.54411	0.7
182.56154	0.8
203.22185	0.9
240.00055	0.8
369.16730	1.0
427.28983	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13742	0.4
56.72659	0.4
59.01381	100.0
60.01717	0.8
62.23267	0.4
70.55913	0.8
70.56280	0.8
123.99521	0.4
162.51868	0.4
166.63370	0.5
218.73552	0.4
293.21136	3.2
417.33304	0.5
427.30737	0.5
432.34607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98832	1.2
70.11517	0.4
96.58441	0.5
96.96044	0.6
98.20741	1.0
99.92539	0.5
109.65002	0.4
110.32067	0.4
113.09759	0.5
118.89958	0.8
119.89995	0.7
121.97802	0.4
157.29312	0.4
197.61208	0.4
207.28380	0.4
209.54680	0.4
229.03091	0.5
293.21249	6.6
294.21448	0.6
426.92252	0.5
431.60391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.77890	0.9
60.01729	1.2
61.28830	1.1
61.98840	5.4
71.01414	1.5
88.42262	1.0
89.92584	1.2
91.03991	2.2
98.19878	2.6
112.98555	1.1
116.92843	1.3
171.10292	1.5
275.20367	1.0
280.79883	1.0
293.21228	10.1
311.22311	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	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34324	0.8
57.51855	0.8
59.01378	100.0
60.01706	1.5
61.98837	5.4
70.07169	2.4
78.85846	0.9
79.07005	0.9
90.93358	1.2
91.04031	1.4
99.92602	1.3
105.19036	0.8
116.92892	1.0
118.89950	1.5
123.36803	0.8
171.10220	1.3
235.17047	1.3
275.20126	3.9
293.21228	7.6
311.22183	1.9
382.50290	0.9
417.75366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96340	0.5
57.03447	100.0
58.00571	1.0
58.03762	1.7
59.01377	69.9
60.01700	0.6
70.89594	1.4
71.01379	21.6
72.99297	0.7
73.02563	1.1
73.02947	18.8
79.05529	1.2
81.03439	2.6
83.01381	7.9
84.13140	0.6
85.02925	3.6
86.18842	0.5
87.00822	0.9
89.02445	16.7
95.01367	1.3
97.06587	1.6
99.04517	73.6
100.04852	1.7
101.02436	41.3
102.02775	0.5
109.06580	0.8
113.02448	12.0
113.06068	2.6
116.73680	0.6
119.03480	7.6
123.04520	10.3
125.02441	27.9
131.03484	2.3
141.05557	2.3
143.03500	4.2
149.04532	3.0
153.05542	2.2
161.04568	7.2
179.05585	4.7
183.06549	1.1
194.76123	0.6
221.06602	1.0
248.90935	0.6
258.14148	0.6
283.11810	0.8
325.12851	1.1
427.15994	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	427.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73930	0.7
58.16897	0.9
59.01380	100.0
61.98829	7.4
66.98105	1.0
69.69958	1.4
69.70354	3.8
71.01374	2.7
74.75200	0.7
87.00912	0.9
92.02683	1.2
95.01370	3.8
98.19981	1.1
99.92580	17.4
100.93375	2.7
101.02425	0.8
108.02149	3.0
113.02414	1.3
115.92079	19.1
115.92889	0.7
116.92860	29.2
117.92876	1.7
120.01207	1.4
121.02979	1.0
135.04539	7.5
136.01663	38.9
137.02077	1.1
147.04482	2.7
149.00534	0.8
149.02434	1.1
149.06116	1.1
150.03209	1.2
161.09688	2.9
165.05594	4.3
205.08685	50.5
206.09016	3.0
265.14471	1.4
271.42319	0.8
287.02258	0.8
293.04993	2.0
322.05093	2.4
327.21518	0.9
373.11130	2.7
391.12082	6.5
392.12503	0.9
405.09924	1.9
409.13123	0.9
420.10867	0.9
427.14169	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	427.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32252	1.0
55.01876	2.6
57.03449	1.4
59.01382	63.1
61.98832	16.9
70.84039	2.9
71.01382	26.3
73.02943	14.4
77.73824	0.9
83.01389	10.4
85.02957	15.0
87.00893	1.8
89.02469	6.1
93.62950	1.1
95.01379	3.5
96.95997	1.2
97.02930	1.5
99.00882	5.8
101.02442	35.3
102.02827	1.2
113.02448	14.3
114.02758	1.2
115.29434	1.0
116.92847	1.7
119.05015	2.5
125.02420	3.9
133.06615	1.3
137.02478	1.4
143.03464	2.1
159.02975	2.6
161.04556	10.7
163.03986	1.6
177.05565	2.9
196.05353	1.5
221.04582	1.9
221.10300	61.7
222.10596	3.1
244.39563	1.2
247.02440	4.8
288.25250	1.1
367.16061	100.0
368.16492	8.6
427.08649	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	427.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.4
59.01377	8.5
67.13554	0.5
67.80292	0.4
71.01373	1.5
73.02949	0.6
83.93096	0.5
84.93856	0.8
87.00855	0.5
88.16534	0.4
89.02439	1.3
94.10537	0.5
98.95568	0.5
99.04513	7.6
99.92583	39.7
100.92609	1.7
100.93368	8.0
101.02431	3.3
103.00349	0.6
113.02452	1.2
114.94933	5.6
115.92075	80.2
116.92191	4.6
116.92857	100.0
117.92905	4.2
117.93661	0.8
119.03477	0.6
125.02441	5.7
130.08755	0.5
132.92325	0.6
137.09711	0.6
140.92857	3.0
142.94412	17.7
143.94417	1.4
151.00359	1.1
151.11290	0.7
156.92262	2.3
157.93146	0.6
158.93904	33.1
159.94032	1.6
161.04593	0.5
173.92609	0.9
174.93384	6.7
175.93529	0.6
184.91833	11.0
185.91949	0.7
186.93385	6.9
187.02469	2.4
202.92896	2.6
239.12910	1.9
308.03482	0.6
323.05847	1.3
324.06656	0.6
325.07425	1.7
327.05493	1.0
341.06888	4.0
342.07169	0.8
353.06812	1.4
383.07980	7.5
384.08096	0.7
427.06982	15.7
427.12006	1.0
427.29312	0.6
428.07062	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	427.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49081	2.4
57.03443	4.0
59.01381	45.0
61.98830	62.0
69.20404	18.7
71.01383	21.8
71.31400	2.0
72.99281	3.3
73.02932	4.8
74.99101	4.6
75.00875	19.5
83.01365	3.5
85.02949	18.6
87.00876	10.0
89.02454	5.5
91.34480	2.2
94.02994	3.5
96.73228	2.2
97.02940	4.3
99.00883	10.4
99.92615	3.8
101.02434	8.2
103.00377	3.8
109.02962	2.5
111.00816	2.3
113.02436	3.0
116.92846	29.9
117.03436	13.0
117.92860	12.4
119.05029	95.0
120.05340	3.5
125.02420	3.9
129.01949	17.8
130.08669	3.1
131.03566	2.6
134.03720	5.4
136.99088	4.2
145.02951	76.2
146.03311	4.0
159.02905	3.4
161.06100	3.0
161.69926	2.8
163.04016	100.0
164.04315	3.4
177.04013	9.6
177.05452	4.2
187.02458	2.7
187.07689	3.8
193.05049	4.4
195.05038	12.3
203.07019	2.6
205.04976	5.5
219.05127	3.5
223.06129	3.3
231.06598	35.5
232.07051	2.3
235.06099	7.3
237.06139	65.1
238.06543	3.0
255.02785	2.2
261.07712	7.3
279.08752	16.8
285.04202	2.8
320.30887	2.4
323.07635	11.9
341.08737	13.1
365.18393	3.9
383.09692	9.2
391.19492	5.0
427.25485	5.0
428.15533	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	427.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.7
59.57214	0.6
61.98830	11.0
68.27222	0.6
71.01372	0.8
72.99301	0.7
93.03479	0.9
96.95995	1.1
99.92584	62.0
100.90524	0.7
100.92606	3.8
100.93381	4.8
102.98613	0.7
115.92076	79.5
116.92177	4.5
116.92859	100.0
117.92902	5.1
117.93620	1.3
121.02926	0.9
121.06493	1.0
123.08166	2.6
125.58581	0.7
127.08716	0.6
133.06625	0.9
135.04514	1.6
137.02432	0.8
137.09702	1.6
137.90688	0.6
147.04474	1.3
149.02522	1.0
149.06055	0.8
151.07671	3.6
163.03882	0.7
164.04707	1.5
165.05527	2.0
171.10260	2.6
178.92297	0.7
190.34053	0.7
237.02196	2.0
238.02654	0.7
241.01807	0.8
243.03297	1.2
249.95662	0.7
253.01758	2.3
254.02361	2.4
255.03322	5.4
265.01669	1.4
267.03284	19.5
268.03622	2.0
271.02795	0.8
272.04388	1.7
283.02832	2.0
285.04324	2.6
287.02267	8.1
288.02533	1.1
327.21606	1.0
329.10434	1.7
373.11246	1.1
391.12164	26.0
392.12363	3.0
405.10068	2.2
409.13068	2.2
427.14209	24.1
427.23196	1.3
428.14505	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	426.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68536	5.6
59.01389	45.8
61.98829	30.2
69.71241	15.3
69.71652	14.9
71.01381	43.6
73.02946	7.4
75.00868	12.3
85.02956	17.7
89.02455	54.9
91.71440	6.6
99.00886	19.6
101.02450	20.3
106.23455	5.9
107.34782	5.7
119.04987	15.2
125.02441	23.1
129.01897	9.0
131.03427	8.7
143.03542	5.9
149.04572	37.0
163.04007	15.0
195.05121	39.2
199.94382	5.6
221.10304	15.8
233.06654	9.6
270.40536	5.3
293.08798	58.2
327.63171	5.9
367.16095	19.6
390.13974	34.5
390.18533	6.2
426.11676	100.0
427.12173	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	425.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43509	0.3
53.65572	0.3
57.77751	0.3
59.01371	0.8
59.61406	0.3
61.98830	15.6
69.03468	0.4
71.01389	0.7
72.00910	10.5
72.66595	0.3
82.02960	0.3
82.21535	0.3
82.60414	0.3
82.95399	0.3
89.02445	0.9
91.05550	0.4
101.02397	0.4
103.05538	1.3
110.17523	0.3
116.03395	0.3
119.05021	0.8
133.04373	0.3
147.04520	34.0
148.04871	1.8
151.38278	0.3
164.07161	100.0
165.07523	5.3
166.07722	0.6
425.21521	0.3
426.13431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33660	0.5
51.64743	0.4
51.81219	0.4
55.01877	8.0
57.03443	6.6
58.00597	4.5
59.01377	93.6
60.01709	0.5
61.98806	0.9
64.28461	0.5
69.03456	3.2
69.27608	4.2
71.01379	99.6
72.01716	1.1
72.99306	5.5
73.02944	32.7
75.00867	1.3
81.03455	0.9
83.01012	0.3
83.01385	21.0
85.02948	43.4
86.00105	1.6
86.03285	1.3
87.00867	6.4
89.02442	49.4
90.02793	0.9
95.01391	4.4
97.02944	3.8
99.00882	12.2
101.02438	85.2
102.02770	1.4
111.00874	8.2
112.01678	0.5
113.02447	30.0
114.02821	0.8
115.04011	2.2
119.03483	1.9
119.42247	0.5
125.02442	6.1
127.11291	0.8
129.01929	2.3
129.12875	0.8
131.03499	33.2
132.03825	0.8
141.01952	0.7
143.03519	4.4
149.04547	15.1
155.03612	0.5
159.02994	5.2
161.04550	26.7
162.04929	0.7
187.06146	0.8
191.05658	1.5
196.16537	0.4
199.13428	0.6
215.05574	2.2
233.06609	6.4
249.39159	0.4
261.89877	0.5
273.17065	1.3
291.18115	97.5
292.18460	5.5
293.08716	0.6
315.40366	0.4
335.17139	0.7
423.22318	100.0
424.22635	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	423.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01728	0.9
61.98834	26.3
71.01385	0.7
71.52357	1.0
83.05048	0.8
87.00837	0.7
97.02964	2.1
99.92606	1.4
116.92889	0.9
156.19832	0.6
182.43246	0.6
281.83994	0.8
331.19275	1.3
423.20166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59196	1.1
59.01381	100.0
61.98827	9.7
70.41727	2.5
70.42057	1.4
71.47117	1.1
72.99332	1.6
77.09664	1.1
96.96021	1.2
99.92588	6.3
115.92078	5.5
116.92869	8.9
130.08763	1.5
171.10231	1.3
264.53998	1.2
331.19519	1.8
423.11145	4.7
423.26144	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00920	0.3
59.01381	0.9
61.98828	100.0
91.46838	0.3
98.19846	0.7
113.02412	0.3
116.92872	0.6
134.03694	0.4
158.06664	0.3
237.38463	0.3
245.07939	0.3
356.07492	0.8
381.92215	0.3
412.35727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
71.01381	0.7
71.52431	0.7
73.02975	0.7
74.02478	0.7
84.93883	1.1
96.96008	1.3
98.95597	2.0
99.92584	42.2
99.98875	0.5
100.92606	2.0
100.93369	7.1
114.94933	5.4
115.02367	0.5
115.04584	0.4
115.92078	84.7
116.92158	4.8
116.92860	100.0
117.92892	4.8
117.93647	1.0
119.05052	1.2
132.92348	1.0
137.09717	1.6
140.92847	3.0
141.93648	0.6
142.94421	18.3
143.94478	0.8
153.08957	0.4
156.92326	2.9
157.93153	0.6
158.93907	26.9
159.93956	1.5
163.03993	1.2
173.92596	1.1
174.93410	6.0
175.93399	0.5
179.69356	0.6
180.83575	0.5
183.94627	1.1
184.91835	12.5
185.92612	0.7
186.11417	0.6
186.93411	6.1
191.10805	0.6
192.91800	0.5
202.92880	3.2
206.82544	0.5
219.10242	0.8
260.98764	0.5
277.05057	0.7
285.04163	0.9
306.02124	0.6
321.04318	2.8
322.58920	1.3
323.06015	1.6
339.05325	3.3
351.05417	1.8
381.06436	6.8
381.10861	0.7
425.05423	13.6
425.18225	1.0
426.05695	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	425.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38520	0.2
57.02005	0.3
59.01361	0.4
61.98830	100.0
66.39722	0.3
67.69695	0.3
69.48476	1.4
71.01360	0.3
75.00852	0.3
89.02470	0.5
93.25706	0.3
96.96010	0.4
120.01269	0.4
128.20728	0.3
147.04535	0.7
164.07140	1.6
179.63545	0.3
183.02950	0.5
198.47878	0.3
276.09662	0.3
330.05106	0.3
425.09247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94382	0.4
57.03437	2.1
59.01378	100.0
60.01704	0.9
61.98828	39.3
69.82989	2.1
71.01386	0.8
73.23109	0.4
80.96519	1.8
87.04535	1.0
91.42619	0.4
91.93452	0.4
92.10384	0.4
94.03002	0.9
94.04006	0.3
96.28520	0.4
96.96021	0.4
97.06637	0.5
98.20673	0.5
101.02466	0.6
109.06603	0.5
123.08186	0.8
132.04594	1.1
135.04472	0.4
136.07689	3.8
136.08597	0.5
137.08046	0.7
139.12955	0.4
141.12901	0.7
143.10857	0.5
153.09238	0.8
164.07266	0.6
169.12347	0.9
171.13969	2.1
187.13438	0.9
190.05128	1.0
200.14171	0.5
201.14894	2.5
217.14513	0.9
295.16824	0.4
315.25714	0.5
324.37238	0.5
325.12024	0.7
339.13638	1.7
344.07843	1.7
345.08167	1.8
359.27975	2.0
361.29572	42.8
362.30008	3.8
389.08713	0.6
421.11002	0.4
421.17365	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	422.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98875	1.9
58.02966	8.7
59.01373	12.7
61.98830	4.8
70.69931	5.5
71.01374	4.7
72.99282	2.3
74.02479	15.3
75.00879	2.5
82.02985	2.6
85.02972	2.1
86.02464	6.8
87.05632	5.6
97.04049	2.7
99.05647	13.3
99.36249	2.2
101.02440	5.5
101.07198	2.5
102.05624	2.7
103.00395	2.5
112.04062	4.4
115.00353	2.5
119.05003	7.0
123.05629	3.5
125.03575	4.1
127.05086	2.7
128.03542	39.9
135.04541	4.0
135.05669	2.5
141.06642	4.8
143.04617	53.6
145.02975	14.2
145.06157	3.9
146.04602	4.2
153.06673	2.9
158.06133	18.4
158.07271	3.5
160.00726	11.1
162.91234	2.0
163.03970	6.6
166.09845	2.8
167.04539	3.7
171.08105	5.7
172.73552	1.7
177.03352	4.5
179.03305	3.9
179.04614	8.2
181.11098	2.0
185.05695	3.8
188.10852	3.3
198.09222	8.6
210.08876	9.9
242.07730	2.6
254.07840	11.3
259.11829	2.6
260.09250	7.4
272.08847	20.4
288.06677	9.0
306.07648	100.0
307.07806	4.5
404.14975	3.3
408.91608	2.0
422.14642	19.2
428.36627	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	423.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
60.88585	0.2
61.98829	100.0
63.99242	0.3
69.43574	1.2
69.43977	0.3
71.01384	0.7
78.95894	0.3
85.02956	0.3
89.02438	0.3
96.96011	0.8
96.96972	0.7
98.20681	0.2
99.92646	0.2
100.92565	0.2
101.02487	0.3
107.96454	0.2
113.02382	0.2
116.92876	0.3
125.02431	0.3
135.04538	0.5
144.59740	0.2
164.07230	0.3
179.03473	0.3
258.22440	0.2
289.45370	0.3
301.68152	0.2
363.16330	0.2
423.18640	0.5
427.65173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.5
57.03438	1.0
58.00603	4.2
59.01378	97.4
60.01727	1.0
61.98838	1.4
62.44027	0.6
69.03463	1.3
71.01382	68.1
71.52684	0.6
72.01698	0.8
72.99307	3.4
73.02946	17.8
74.03308	0.7
75.00884	1.6
81.03454	0.6
83.01377	4.6
85.02950	13.3
87.00873	3.8
89.02444	100.0
90.02773	1.2
95.01403	4.0
97.02952	2.3
97.87235	0.6
99.00879	17.0
101.02439	42.6
111.00874	0.8
113.02451	21.0
114.02782	0.6
115.04031	2.5
119.03502	24.6
125.02459	4.5
131.03497	15.3
143.03488	4.9
149.04552	34.4
161.04559	6.2
179.05595	10.5
191.05600	9.2
191.07184	0.9
221.06592	1.0
229.22568	0.7
233.06599	3.1
251.07736	2.0
289.16550	3.6
293.08844	2.0
421.20779	67.4
422.21115	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	421.208
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.16048	0.2
55.01877	6.2
57.03450	5.4
58.00600	1.4
59.01379	33.3
61.98820	0.3
63.13820	0.2
67.01893	0.4
68.99810	0.7
69.03458	2.7
69.41229	0.5
69.41642	1.4
71.01382	83.5
71.05022	0.7
72.01731	1.0
72.99301	2.2
73.02946	34.1
74.03272	0.6
75.00880	2.7
81.03444	1.2
83.01389	13.4
84.02161	0.5
85.02951	38.2
86.00062	0.3
86.03288	0.6
87.00877	4.2
89.02446	18.3
95.01389	6.0
97.02949	4.1
98.19870	0.2
99.00883	16.3
99.04536	0.6
101.02441	54.6
102.02787	0.9
110.22278	0.2
111.00864	1.4
113.02451	30.4
114.02802	0.5
115.03999	2.6
117.01904	0.2
119.03474	1.2
125.02448	6.4
126.02785	0.3
127.03966	0.5
127.11297	2.4
127.68110	0.2
129.01941	1.4
131.03511	4.4
143.03496	3.9
149.04536	2.4
159.02994	5.2
160.03381	0.2
161.04553	30.5
162.04874	0.7
167.10828	0.4
168.49049	0.2
169.12227	0.3
191.05630	2.1
193.12250	0.4
205.03487	0.5
211.13403	0.4
215.05563	0.6
233.06641	5.8
289.16562	63.5
290.16907	4.2
293.08780	3.2
333.15353	0.3
357.70245	0.2
421.20767	100.0
422.21085	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	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02985	0.9
61.98827	1.4
63.56062	1.1
80.91673	3.1
80.96518	1.7
89.26403	1.1
98.20668	2.8
124.11363	1.0
163.11282	100.0
164.11607	4.4
176.95992	0.9
178.23450	1.1
229.00073	1.2
230.72351	1.0
298.31622	1.2
339.23273	70.7
340.23694	7.7
421.22385	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	421.2595
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03448	1.4
59.01379	3.6
61.98825	2.2
65.03945	0.7
66.43457	0.5
69.03452	1.6
70.36971	0.5
70.37315	1.9
70.86855	0.5
71.01377	0.6
71.05023	0.8
73.24429	0.4
78.27650	0.4
78.82653	0.5
81.03471	1.3
82.95621	0.4
83.05032	6.9
83.05510	0.9
85.06589	2.4
87.77299	0.5
90.93573	0.5
94.84759	0.6
95.05002	0.6
97.06590	2.4
107.05064	0.6
107.08681	0.8
109.06593	1.9
111.08143	2.6
116.92860	0.6
119.05028	0.7
121.06590	0.7
123.08167	1.6
125.09731	7.9
127.11269	0.7
129.09195	0.6
133.06564	0.6
135.08147	0.7
137.09717	1.6
151.11267	0.8
153.09206	0.9
159.11644	0.6
163.11250	0.8
171.08806	1.0
171.10271	19.1
172.10640	0.9
181.08459	0.5
185.11800	1.2
187.14932	2.0
187.71275	0.5
189.12862	0.7
189.16481	1.5
203.14410	0.8
205.16028	2.9
209.11832	1.8
211.13330	4.5
213.14844	0.6
215.14407	1.1
219.10225	0.6
221.15457	2.4
231.13869	2.5
233.15460	25.9
234.15781	2.0
235.13631	0.6
237.14948	0.8
239.16608	0.6
249.14952	10.1
250.15219	0.9
251.16501	1.7
252.13646	1.2
257.17548	2.4
283.19095	0.9
313.25327	0.6
323.24033	0.8
331.26340	2.3
341.24750	2.8
357.24615	0.6
359.25946	1.2
367.22760	1.5
375.25519	0.7
377.27234	1.2
385.23834	4.3
393.26385	1.3
403.24884	48.2
404.25177	4.7
421.25958	100.0
422.26361	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.5
59.01378	22.5
60.38309	0.4
61.98833	5.7
62.84476	0.4
64.35934	0.4
70.37341	1.6
71.01383	1.4
73.02938	2.3
75.00871	6.1
77.21954	0.4
85.02959	3.2
87.00855	2.5
87.84830	0.4
88.98826	0.6
89.02461	0.5
98.19846	0.6
99.00890	1.1
101.02441	1.5
106.75888	0.5
111.00912	0.5
113.02438	0.6
129.01956	2.2
133.74515	0.4
137.09697	0.5
139.11288	25.7
140.11603	0.8
141.01904	0.7
159.02965	0.5
160.04057	0.4
163.11305	0.8
165.09248	0.9
177.04031	8.2
181.10835	0.9
181.12338	12.5
182.12671	1.0
183.10252	30.6
184.10568	1.6
195.05125	2.5
199.13400	3.8
203.62157	0.6
225.11311	7.2
228.94839	0.4
243.12349	100.0
244.12691	6.3
282.06042	0.5
301.12851	0.5
358.21674	0.8
400.74796	0.5
403.16119	1.5
421.17126	41.9
422.17535	4.2
434.28671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02366	1.2
57.03445	3.4
59.01381	29.1
61.98856	1.2
70.81826	2.2
71.01361	4.5
73.02953	2.5
75.00864	3.9
85.02964	3.6
87.00858	1.8
87.04485	2.2
89.02445	1.5
99.00871	3.6
101.02516	1.3
101.06062	1.5
109.42720	1.3
112.04115	1.2
117.01158	1.2
127.93275	1.2
129.01942	6.2
139.11292	29.9
152.32484	1.3
163.11304	1.8
177.04022	7.0
181.12350	12.3
183.10266	33.6
184.10532	1.5
195.05128	1.4
199.13365	4.3
221.38190	1.2
225.11281	7.2
243.12357	100.0
244.12704	4.6
258.58795	1.4
421.17062	59.0
422.17322	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	421.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.5
58.16557	1.4
59.01379	22.0
61.98811	1.6
67.16479	1.7
69.03452	2.6
69.29910	11.8
69.30302	2.5
71.01382	16.0
71.03210	1.4
72.99296	1.7
73.02944	2.2
75.00883	7.8
75.68678	1.6
85.02946	5.4
87.00919	3.3
97.02968	4.1
99.00881	9.2
103.00391	3.5
105.00784	1.8
109.15520	1.5
114.93938	1.5
129.01930	8.4
139.11293	14.0
140.11545	1.6
141.01993	2.8
156.09167	1.5
159.03024	2.1
175.62799	1.7
177.04016	12.0
181.12309	6.8
183.10284	17.5
195.65733	1.7
225.11285	3.9
243.12357	27.2
245.12944	3.2
267.93753	1.6
285.13425	6.4
403.15933	8.3
421.17117	100.0
422.17438	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	421.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
58.02971	2.0
59.01381	11.1
61.98828	5.6
65.70680	1.2
70.02969	8.9
71.01373	5.1
71.05010	12.7
71.51604	1.7
74.02468	2.1
87.05633	5.2
88.71179	1.0
89.02460	2.4
93.03517	1.2
99.04540	5.3
99.05646	2.5
101.02448	3.9
101.94883	1.1
103.00373	9.8
104.50707	1.2
113.02437	1.9
115.00338	1.7
115.05078	1.2
116.07167	3.0
119.04972	1.4
124.04053	1.7
126.67898	1.1
127.05023	1.2
128.03500	2.7
130.03334	8.9
130.08751	3.5
133.01411	2.9
134.03699	1.3
135.04504	2.4
143.04608	8.0
145.02911	4.7
146.08234	75.4
147.05945	3.5
147.08565	3.0
149.02426	1.4
158.06081	2.0
164.04724	2.6
172.01425	1.2
179.03445	2.7
208.03909	1.1
217.11938	17.4
223.05998	4.9
230.08296	1.8
242.08351	2.7
245.04306	1.4
260.09332	2.5
277.12265	100.0
278.12628	5.6
306.07718	5.0
359.97595	1.1
377.17953	1.5
404.18436	2.1
421.16504	4.4
422.14587	2.8
422.19620	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	420.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
60.55515	0.2
61.98829	100.0
64.61216	0.3
65.00323	0.5
68.56250	0.3
69.23500	0.4
69.23910	2.1
80.00403	0.3
90.85948	0.3
93.03465	2.2
95.57885	0.2
97.02938	0.6
101.05141	0.3
103.00378	0.5
107.45051	0.2
116.94918	0.3
119.05038	5.5
135.49414	0.3
139.04008	0.4
145.02974	0.8
147.35542	0.3
151.00456	0.4
159.82607	0.3
163.00345	2.1
165.01930	0.3
185.21234	0.3
187.03972	0.3
189.01976	1.1
197.06050	0.3
207.03044	1.0
237.43358	0.3
264.38586	0.3
271.06268	0.8
283.06125	2.1
309.07782	1.7
327.08752	2.5
403.11960	1.9
421.12897	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	420.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94679	0.2
52.33476	0.3
52.52130	0.2
59.01376	2.8
61.98829	100.0
71.01448	0.3
73.02945	0.3
90.41515	0.3
94.03047	0.3
103.00366	0.5
116.92880	0.3
128.50795	0.3
132.04561	0.3
136.07675	0.5
140.08229	0.3
176.34987	0.3
219.19295	0.3
228.97098	0.3
243.12170	0.3
281.12888	0.4
357.14764	0.5
360.28458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37812	0.3
59.01386	0.3
59.23768	0.3
61.98830	100.0
69.98450	1.0
94.03008	0.5
110.05610	0.3
170.76347	0.2
210.96262	0.3
295.42383	0.3
367.44730	0.2
398.60388	0.3
421.18234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1294
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
50.18025	0.6
57.03416	0.8
59.01384	4.4
61.98830	47.7
63.02380	2.5
65.00326	5.9
71.52643	0.9
73.94306	0.6
75.53551	0.7
78.81460	0.6
79.35619	0.7
79.55514	0.8
83.01365	1.8
91.05517	0.7
93.03460	24.4
95.05026	1.7
97.02948	3.7
97.28200	0.8
100.29073	0.7
107.01372	1.5
110.42059	0.7
117.03451	2.2
119.01363	1.4
119.05029	67.1
120.05341	2.7
121.02953	2.6
129.27841	0.8
135.00917	3.2
135.04492	1.5
137.02385	2.1
139.04008	6.4
143.05011	2.4
145.02048	0.7
145.02972	6.6
147.04486	3.1
148.01607	1.3
149.26535	0.7
151.00363	5.1
157.06619	0.8
161.06035	1.4
163.00371	31.9
163.03960	3.3
164.00969	2.1
165.01920	5.4
169.06598	2.1
171.04520	4.9
173.06065	5.1
177.01892	1.7
181.05061	1.5
185.06004	2.2
187.04004	2.8
189.01950	13.8
191.07237	1.0
195.08127	0.9
197.06036	6.9
203.03500	2.2
207.02997	15.9
213.05557	1.1
215.03729	0.9
215.07111	3.2
221.04518	1.7
228.04250	1.6
233.04459	2.0
239.07129	2.0
241.08595	1.3
249.33313	0.8
257.04544	1.9
270.39615	0.7
271.06128	10.3
272.06503	1.0
283.06125	25.8
283.09406	1.1
284.06451	2.3
309.07666	15.9
310.08069	1.3
327.08728	32.5
328.09018	2.6
377.10373	2.6
403.11838	27.7
404.12170	3.6
421.12918	100.0
422.13312	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	420.151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82541	0.4
57.03445	1.9
59.01379	44.6
60.01700	0.6
61.98829	47.3
66.03472	0.6
67.01878	3.0
70.05620	1.2
70.06013	0.9
70.90844	0.5
71.01382	2.1
73.02944	18.1
76.38947	0.5
82.02987	1.4
85.02942	3.8
94.02984	100.0
94.98169	0.7
95.03329	1.7
99.00887	0.7
101.02452	0.9
103.00365	0.9
103.04012	48.3
104.04338	0.9
112.04079	1.0
113.02454	1.0
119.05194	0.6
125.02428	1.0
126.71710	0.5
128.03578	2.7
128.31718	0.4
161.04572	2.3
175.09344	0.5
182.07486	0.5
191.08972	0.4
195.84109	0.5
203.27380	0.6
217.07175	1.1
244.07794	0.6
247.08270	1.8
256.08145	1.0
300.10971	2.8
312.10925	1.2
322.43973	0.5
342.11768	0.6
355.45187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58321	0.6
57.81044	0.6
59.01372	4.7
59.22350	0.5
61.98830	100.0
62.25605	0.5
69.97532	1.9
86.80440	0.5
103.00397	1.1
110.02465	0.7
171.10391	0.8
176.20598	0.5
305.21191	0.7
381.08691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
55.21840	0.4
57.03467	0.9
58.02974	12.3
59.01379	9.7
59.01654	0.7
61.98826	3.8
69.22665	4.4
71.01383	14.1
72.00911	4.0
72.99327	0.6
73.02943	4.2
73.03233	0.4
73.04068	7.3
73.04444	0.7
82.06636	1.2
83.01405	2.0
83.04223	0.5
85.02951	4.9
89.02441	6.9
91.05530	5.1
91.05971	0.5
95.01405	0.7
97.02961	0.8
97.04077	1.3
98.02477	3.8
99.00887	1.7
101.02444	8.6
103.05533	1.2
108.08235	1.3
111.00908	1.7
111.04416	0.5
111.40958	0.4
112.07677	1.0
113.02442	4.2
115.05128	5.6
116.03526	1.0
118.06717	0.6
125.02471	1.0
126.09277	0.6
129.10347	14.1
131.03506	4.4
139.08807	1.2
141.10341	2.3
143.03441	0.7
143.11900	1.8
147.04524	17.9
148.04849	0.6
149.04564	1.9
151.08762	2.2
152.07176	7.9
152.10735	0.6
152.25420	0.5
153.05432	1.1
155.03537	1.8
155.08258	1.8
159.03008	0.8
161.04553	3.0
164.07166	40.3
165.07533	1.6
168.11424	16.6
169.09874	2.0
171.11584	0.4
178.94769	0.4
186.12488	36.3
187.12758	1.5
187.25821	0.4
196.09839	0.8
210.12473	21.0
211.10854	3.3
211.12663	0.7
228.13530	2.6
233.06673	0.7
233.16586	10.6
255.13388	0.6
259.14536	1.3
271.30423	0.5
277.15530	6.0
289.16589	4.8
290.18707	8.8
305.49350	0.5
332.19806	3.9
376.18759	100.0
377.19083	9.1
402.20306	1.3
420.13345	0.8
420.21393	20.9
421.20908	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	420.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
60.50824	0.2
61.98829	100.0
69.29516	1.9
80.72141	0.3
94.61170	0.2
98.90299	0.2
103.01974	0.3
108.04580	0.6
132.04550	4.2
136.07678	7.9
148.04086	0.5
148.87683	0.3
152.64697	0.2
167.17705	0.3
176.03491	0.6
208.06146	0.4
235.00989	0.3
253.13525	0.5
257.12967	0.4
281.12918	2.5
282.13300	0.3
297.12436	0.4
325.11948	4.6
326.12485	0.3
357.14532	7.7
358.14911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93384	0.2
59.01375	0.2
61.39451	0.1
61.98830	100.0
64.07136	0.2
69.72492	0.8
80.95735	0.1
104.05076	0.5
108.04574	0.9
108.08202	0.6
121.05331	0.3
127.42171	0.2
132.04553	6.0
133.04892	0.3
136.07680	12.5
137.08054	0.6
147.03307	0.2
148.04083	0.7
160.04005	0.2
176.03545	1.2
188.03584	0.3
208.06143	0.9
253.13550	0.8
257.12970	0.7
281.12961	4.2
282.13358	0.5
297.12494	0.7
325.11890	6.2
326.12384	0.6
357.14536	15.4
358.14932	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	8.5
59.01372	1.1
59.03336	0.7
61.98830	53.2
63.43763	0.9
64.54278	0.8
66.03487	0.8
71.49783	1.7
72.00915	1.8
74.02468	21.6
81.82270	0.7
82.02987	1.4
84.04544	1.1
85.01204	1.2
86.02489	7.0
86.06147	1.6
86.99073	1.1
87.05632	3.6
90.00204	2.5
94.02964	1.7
96.04520	1.4
96.95979	2.2
97.04089	2.2
99.05032	1.4
99.05641	15.5
101.07208	3.0
102.05605	2.3
103.02245	6.5
109.04086	1.7
111.05599	1.4
112.04023	2.7
113.03587	1.4
115.23390	1.0
116.01758	1.5
123.05626	1.5
124.04018	1.3
125.03574	2.3
127.05125	3.3
128.03545	44.3
129.03926	2.0
130.08734	3.5
131.04668	1.3
135.05652	3.6
137.07211	1.3
139.08844	1.2
141.06715	4.9
143.04622	63.1
144.04967	2.3
145.06215	4.3
146.04645	5.9
153.06691	4.0
155.08138	1.0
159.99503	1.5
160.00740	18.1
166.09866	3.0
167.04652	4.5
167.08212	3.0
170.03246	1.1
175.02429	1.1
177.03317	5.3
179.04637	12.6
181.06223	2.7
185.05655	2.3
192.07724	1.3
197.05765	1.4
198.08780	1.3
210.08821	10.1
242.07799	1.5
254.07838	17.7
255.08168	1.9
272.08887	33.2
273.09326	2.4
288.06580	11.3
306.07648	100.0
307.07932	6.2
420.10718	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	419.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74672	1.6
59.01383	28.3
61.98825	41.5
69.33912	14.7
71.01395	3.0
93.36559	1.6
100.13328	1.8
103.00373	24.7
121.02951	4.0
123.54234	1.9
139.11302	4.0
147.04565	2.2
149.02390	2.5
150.03253	5.6
155.03459	2.2
158.03746	3.3
159.04489	8.2
160.04111	2.9
160.05295	29.4
161.06082	8.1
163.03987	5.6
164.04739	5.2
164.23726	1.8
173.06027	4.7
175.07620	28.1
177.05527	6.7
178.06346	9.5
183.10300	3.7
193.08694	3.8
195.05078	4.3
218.48038	1.9
239.40561	1.7
243.12344	20.1
274.06036	2.0
285.13330	5.3
329.13937	100.0
330.14243	11.9
419.15372	8.8
419.22653	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	419.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
58.00565	0.6
59.01377	28.1
61.98848	1.4
63.93588	0.6
69.36905	1.0
69.37302	3.3
71.01385	2.6
71.69925	0.6
73.02956	2.8
75.00860	1.9
79.83276	0.6
83.01388	2.2
85.02953	1.6
89.02476	1.0
99.00914	0.7
101.02425	1.7
103.00372	100.0
104.00695	1.3
113.02455	2.9
131.03496	0.8
139.11288	15.1
148.45212	0.6
163.11322	1.4
165.09160	0.5
175.02490	1.2
181.12334	9.6
181.13820	1.1
183.10249	18.6
184.10553	0.7
184.82101	0.6
195.05006	0.6
199.13370	2.1
207.10318	0.9
225.11322	6.6
241.10898	0.8
243.12354	77.6
244.12691	5.3
249.11304	2.4
285.10397	1.0
285.13419	8.2
297.14066	0.6
315.14383	4.8
375.11600	0.5
375.16589	2.6
419.15521	17.3
420.16092	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	419.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07116	0.6
57.03435	4.5
59.01380	31.3
61.56566	0.7
61.98822	2.4
64.54383	0.6
69.03445	2.1
69.42845	4.8
71.01379	19.9
72.99296	2.5
74.65609	0.6
75.00470	1.2
75.00877	17.9
76.61637	0.6
83.01400	1.2
85.02949	4.9
87.00887	5.3
87.04498	1.5
88.91994	0.7
88.95568	0.7
89.02433	2.7
95.10886	0.6
97.02953	3.2
99.00879	12.7
101.02429	1.6
103.00372	2.5
111.00871	1.2
115.04025	0.8
116.80421	0.6
117.01915	0.8
119.08688	0.6
129.01942	16.0
131.03471	1.8
137.09721	2.1
141.01930	2.5
159.02965	2.6
161.09735	1.6
167.03389	0.7
177.04050	15.7
179.10776	2.0
180.99043	0.7
181.08730	3.1
189.38072	0.7
195.05104	12.2
197.11845	12.8
198.12128	1.3
220.73676	0.6
223.09793	1.7
226.79285	0.8
241.10805	7.4
243.12337	1.6
281.09302	0.9
283.11890	2.1
343.13901	1.0
359.13434	1.8
383.17218	1.1
401.14487	6.1
419.15558	100.0
420.15878	10.8
426.59729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.3
58.00609	0.6
59.01378	38.9
60.01720	0.6
69.22841	0.6
69.23242	3.1
69.78796	0.3
71.01373	3.4
73.02948	1.1
74.30318	0.4
75.00869	1.4
76.75777	0.4
80.65199	0.4
85.02937	1.3
91.58688	0.4
101.02460	0.6
103.00372	100.0
104.00714	1.5
113.02419	2.9
138.47859	0.4
139.11285	18.9
140.11633	1.0
163.11250	0.6
165.09218	0.9
172.38496	0.4
180.90013	0.4
181.12331	8.8
183.10254	21.2
184.10558	1.2
199.13376	2.5
225.11334	6.9
226.11659	0.5
233.18854	0.5
243.12354	94.3
244.12672	5.7
285.13437	23.5
285.16718	0.7
286.13812	1.7
297.13217	0.5
315.14447	8.5
316.14890	1.1
339.14307	2.2
357.81659	0.4
375.16632	7.6
376.16965	0.6
401.14478	0.9
419.15555	24.9
420.15857	2.9
420.71136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37034	0.4
55.46939	0.4
59.01368	2.8
61.98829	100.0
64.18470	0.5
84.31897	0.4
93.90579	0.4
97.36420	0.4
98.19859	1.0
103.00375	1.2
104.17271	0.4
106.04267	1.4
136.71944	0.5
139.90875	0.5
149.05983	0.5
162.09225	3.1
163.09604	2.5
183.10266	0.5
234.15475	0.5
243.12393	0.9
265.77573	0.4
300.16202	1.3
301.16385	4.3
348.92346	0.4
348.97067	0.4
419.16525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
61.98830	100.0
69.45905	0.6
69.46312	1.4
88.98809	0.4
94.26091	0.3
96.50189	0.3
101.23970	0.3
103.00375	0.3
103.92047	0.4
143.94334	0.2
149.57127	0.2
170.09885	0.3
180.16133	0.3
239.03947	0.3
243.12416	0.5
404.87701	0.3
409.31033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53316	1.0
56.81173	1.0
57.03448	28.1
59.01376	11.6
61.98828	18.3
67.01885	3.4
69.25341	1.1
70.85728	2.7
71.01402	5.2
72.99314	1.1
74.02470	3.9
75.16789	1.1
81.03468	2.0
82.02995	6.7
83.01377	3.9
85.02942	2.1
87.00846	1.3
89.02428	1.6
94.02985	100.0
95.03324	2.5
97.02985	1.2
99.04519	32.9
101.02444	10.7
103.00345	2.3
112.04038	1.9
115.00368	1.0
123.04559	1.0
125.02451	20.7
125.03349	2.4
126.02782	1.4
135.04416	1.0
143.03503	1.5
143.04578	2.0
155.03372	1.1
161.04581	10.1
167.03424	1.5
175.02495	1.0
178.09424	1.1
203.05595	2.8
221.04507	1.0
256.08215	3.1
286.09250	2.7
306.07623	1.2
323.93411	1.3
344.20065	1.2
374.21393	2.5
418.13596	6.2
418.23657	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	418.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	17.1
61.98823	46.0
69.25025	19.5
71.01385	2.5
91.04000	2.9
98.19955	5.8
103.00370	11.3
108.08172	9.8
110.02448	2.6
125.66998	2.4
131.18004	2.5
131.86162	2.6
136.07678	64.7
137.02390	2.4
138.61340	2.3
160.04039	2.6
162.05580	32.3
171.10219	8.2
206.04634	15.7
218.04549	3.4
225.14851	3.5
228.10245	4.0
243.12300	7.4
283.14484	5.4
301.16153	3.4
311.13849	5.7
327.13437	8.9
343.24847	15.2
344.25287	12.1
355.12952	100.0
356.13245	10.9
419.15265	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	418.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78930	1.8
51.74508	1.6
55.01883	3.0
59.01379	24.1
61.98832	62.5
63.36086	1.7
64.92462	1.5
67.11816	1.6
71.01379	12.6
71.50555	3.4
72.99317	3.0
73.02945	7.4
75.00878	3.5
76.01255	1.5
83.01376	7.8
87.00878	7.7
89.02445	19.8
94.02987	4.3
95.01360	4.9
96.95486	1.5
96.96037	11.0
97.02930	2.8
99.00887	7.0
101.02467	1.9
104.20138	2.1
108.04533	1.8
111.00875	3.1
112.98804	5.7
113.02429	3.3
115.00376	15.1
117.01929	10.8
118.02966	2.5
120.04552	19.5
124.04013	1.7
125.02474	3.5
125.73010	1.6
128.03539	2.5
134.06038	1.9
135.02998	3.9
135.04474	3.7
138.01950	2.6
139.04022	2.1
145.01405	2.8
146.02498	2.2
146.06064	4.9
147.56975	2.0
148.04050	11.8
148.07692	5.4
156.13213	1.7
158.06078	2.5
166.08730	3.9
173.00861	2.7
174.01683	100.0
174.05560	3.2
175.02463	46.6
176.07164	6.3
181.20039	1.7
190.05099	4.3
191.03537	2.7
192.03024	2.8
192.06653	5.3
197.08119	2.0
202.05170	2.0
204.06671	2.0
212.71321	2.0
220.06055	7.8
234.04008	2.2
238.07117	3.2
248.05647	5.1
264.05173	8.9
292.04636	55.0
293.04904	4.1
294.09705	3.1
305.12418	1.7
338.08768	9.1
339.08929	2.6
382.07819	32.5
382.12970	2.9
383.08102	2.0
418.11246	2.3
439.44037	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	417.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07041	1.1
59.01379	100.0
61.98827	1.8
63.57813	1.2
70.98660	2.1
114.77494	1.1
115.36579	1.1
121.94234	1.1
241.84822	1.1
253.73122	1.2
417.21509	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	417.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.5
59.01379	100.0
60.01701	1.1
61.98496	1.2
61.98826	24.0
71.01381	3.5
71.05026	0.9
73.02946	3.9
85.02962	2.1
91.60064	0.8
93.03452	1.3
97.06553	1.7
99.08134	1.5
99.92581	1.7
101.02426	1.5
103.00386	1.4
103.02223	0.8
109.06548	0.9
110.17448	0.8
113.02436	1.3
116.92845	8.2
121.02946	1.9
137.02422	1.1
137.09737	1.5
151.11336	0.8
152.85976	0.7
153.26126	1.0
157.12268	0.9
161.04462	1.3
164.00220	0.9
167.10768	1.9
173.11842	1.9
199.13393	1.0
249.05913	0.9
339.25345	7.3
357.26419	43.6
358.26801	4.7
358.31104	1.0
413.26810	1.0
417.17734	1.7
417.28528	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	417.2646
Annotation	Pallinin
Peak:m/z	Relative Intensity
51.43715	0.4
55.01870	1.0
57.03452	0.7
59.01380	1.1
61.98837	0.7
63.96223	0.7
65.77106	0.4
67.90472	0.5
69.03457	5.6
69.18939	4.4
71.05022	0.8
76.37342	0.4
76.59079	0.4
77.30325	0.4
78.98614	0.7
83.05035	5.0
97.06575	1.4
99.04521	22.6
100.04890	0.5
123.08161	1.9
125.09692	0.7
147.11740	0.5
149.09761	0.6
149.13364	0.9
167.10803	1.2
167.14485	0.6
273.22150	1.5
311.08231	0.4
317.21149	7.7
318.21786	1.0
335.22299	3.2
373.27423	0.6
417.26459	100.0
418.26834	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	417.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66347	0.5
52.38695	0.6
55.01882	5.3
57.03452	5.0
58.00595	3.4
59.01381	70.5
60.01733	0.9
61.98833	12.1
68.99816	0.5
69.03474	0.8
69.41372	3.8
70.64931	0.5
71.01382	100.0
71.23982	0.5
72.01727	1.5
72.99310	4.7
73.02950	24.1
75.00875	2.1
75.20667	0.6
81.03482	1.1
83.01392	10.5
84.02144	0.7
85.02952	39.8
87.00879	4.8
87.04527	2.4
88.74117	0.6
89.02445	46.0
95.01393	7.6
97.02959	1.8
98.20666	1.0
99.00887	8.4
101.02444	69.2
102.02792	1.2
103.00399	1.6
107.01404	0.6
113.02453	42.3
114.02806	1.5
119.03505	17.4
122.06113	1.7
125.02456	2.5
129.01952	1.7
131.03516	2.5
133.01428	0.6
136.07716	1.7
143.03508	8.1
149.04570	1.5
151.00330	1.2
152.07196	1.8
159.03006	6.8
161.04556	52.2
162.04878	1.2
179.05632	4.6
205.03604	1.5
220.06206	0.7
249.09709	0.7
255.19662	3.9
284.11633	0.5
285.03983	3.6
385.14105	0.6
417.08420	1.1
417.24957	50.7
418.25323	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	417.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.1
57.03442	4.5
58.00588	3.1
59.01379	72.9
60.01728	0.7
61.98810	0.4
65.58244	0.4
69.03446	0.9
69.42926	3.4
69.43253	0.5
71.01381	100.0
72.01720	1.2
72.99300	3.4
73.02946	25.0
75.00887	1.2
83.01382	10.4
84.02159	0.8
85.02950	38.5
87.00869	4.4
87.04525	2.1
89.02444	39.2
95.01384	6.8
96.01637	0.4
96.18038	0.5
97.02931	2.4
99.00876	9.7
101.02441	68.4
102.02795	1.4
111.00933	0.5
112.01704	0.6
113.02449	41.0
114.02782	1.0
115.04050	0.5
119.03500	16.4
125.02449	2.1
129.01939	2.0
131.03494	1.6
143.03496	6.4
149.04573	1.2
159.02983	8.9
161.04550	54.3
162.04910	1.8
179.05612	6.0
205.03522	0.5
255.02968	1.0
255.19624	3.4
283.02438	0.8
285.04086	0.9
417.24921	64.5
418.25214	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	417.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62327	0.4
55.01875	6.8
57.03444	6.2
58.00592	2.4
59.01379	67.8
60.01714	0.6
61.98832	1.7
65.21169	0.3
67.01891	0.5
68.58141	0.3
68.99825	0.4
69.03458	0.9
71.01382	100.0
71.51779	0.6
72.01730	1.5
72.99307	4.6
73.02946	26.6
74.03304	0.4
75.00867	3.6
81.03453	0.6
83.01388	11.2
84.02191	0.9
85.02950	42.5
86.03284	0.8
87.00878	4.4
87.04516	2.4
89.02443	30.9
95.01389	7.0
95.05051	0.4
97.02947	2.5
99.00880	12.4
99.04518	1.1
101.02442	55.3
102.02757	0.8
103.00373	1.5
111.00906	0.6
113.02450	38.6
114.02784	1.1
115.03970	0.4
119.02663	0.7
119.03503	12.4
120.03726	0.5
125.02445	2.3
129.01945	2.2
131.03497	2.6
139.11282	11.7
140.11606	0.7
143.03510	5.5
147.03015	0.6
149.04558	1.1
159.03003	8.7
161.04558	49.7
162.04898	1.9
163.11337	1.0
165.04027	3.8
165.09224	0.6
165.12819	0.5
179.05586	2.8
181.12331	5.8
182.12694	0.4
183.10265	13.7
184.10509	0.6
199.13371	1.0
201.66234	0.4
205.03474	1.2
207.10320	0.4
207.13908	1.2
209.11775	0.8
225.11307	5.3
227.03444	0.6
243.12358	20.3
244.12675	0.8
251.12592	0.5
255.02928	1.6
255.19693	2.6
269.13916	6.4
283.02429	1.1
284.03113	1.5
285.04031	3.0
286.04102	0.5
297.20654	0.8
301.65826	0.4
320.45776	0.4
336.10300	0.9
336.60391	0.8
339.14267	1.2
357.15506	17.6
357.19971	0.9
358.15717	1.0
399.20001	0.5
417.17532	8.2
417.24808	36.6
418.17560	0.8
418.25418	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	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01723	0.8
61.98832	21.9
63.99266	0.6
69.98807	0.5
71.01387	1.1
71.69833	0.5
82.46585	0.5
85.02962	0.6
88.98811	1.6
134.06139	1.3
152.48367	0.6
229.05394	0.7
230.61348	0.5
355.12964	1.4
357.26593	0.9
377.61108	0.6
396.30481	0.6
417.16855	1.3
417.28851	0.8
437.43570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2132
Annotation	Maryal
Peak:m/z	Relative Intensity
53.94702	0.6
57.03445	2.7
58.00587	0.9
58.94702	0.7
59.01381	90.7
60.01705	2.2
61.01802	1.1
61.98829	8.7
70.25845	0.6
70.46535	1.5
70.46896	1.5
71.01381	14.9
72.99315	1.8
73.02940	4.8
75.00866	0.9
83.01385	3.0
85.02936	6.2
87.00871	2.0
89.02444	10.0
93.03436	0.8
95.01402	0.9
99.00874	2.2
99.04545	0.9
101.02449	17.2
103.00381	12.6
111.00890	1.1
113.02463	4.5
115.00355	1.4
119.03494	3.3
120.99642	1.7
123.09289	0.7
129.01871	0.7
137.02451	0.9
139.11281	2.1
155.10783	3.9
161.04591	1.2
163.00356	0.8
165.04080	0.9
172.07820	0.8
177.01889	0.8
181.12340	1.1
183.10231	1.4
189.01944	0.8
193.03514	2.4
197.11856	1.1
199.09764	2.1
224.07231	3.8
225.11320	1.4
227.03548	3.1
242.08287	1.2
243.12292	3.1
255.03084	5.1
255.16000	1.0
256.03571	0.8
266.08246	1.2
269.13968	4.0
283.02505	2.1
284.03183	3.1
285.03964	6.0
286.04443	1.0
314.10352	8.0
335.59848	1.1
336.10275	2.2
357.19229	2.0
373.15027	2.1
399.20306	4.6
416.62042	1.0
417.08484	3.3
417.21310	100.0
418.21826	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	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	10.0
57.03431	4.9
59.01378	98.1
61.98822	7.5
69.83606	2.3
69.84014	4.2
70.71705	1.1
71.01382	33.3
72.99299	2.7
73.02941	10.3
75.00869	39.7
78.24384	1.0
83.01371	4.5
85.02943	16.1
86.53561	1.0
87.00867	4.3
87.04512	1.6
89.02449	15.7
89.58179	1.2
95.01385	2.7
95.04991	1.4
99.00864	3.3
99.04496	3.4
101.01825	1.6
101.02440	22.9
103.00377	2.8
109.06580	2.2
113.02444	12.4
117.01988	1.2
119.03474	5.2
121.06623	1.9
125.02402	1.3
126.81850	1.0
127.34261	1.2
128.00281	1.2
129.01955	9.3
137.31920	1.0
139.11252	4.8
143.03494	2.7
147.03041	6.6
155.10794	5.6
156.11018	1.3
157.48033	1.2
158.30766	1.2
159.03011	2.8
161.04536	15.9
163.11298	1.7
165.04041	82.6
165.12860	11.4
166.04338	2.8
181.12344	8.5
183.10303	6.0
189.12723	1.5
207.13902	14.5
209.11865	11.5
210.12173	1.9
225.11310	10.5
225.14900	4.7
227.03397	2.2
243.12376	10.6
251.12753	4.2
255.02930	4.1
255.19699	1.3
256.03262	1.6
269.13928	100.0
270.14124	6.0
283.02328	1.6
284.02982	4.3
285.04041	7.8
286.04294	4.3
314.08847	2.3
314.59210	2.4
357.15491	9.1
392.94925	1.1
417.17465	65.6
417.24747	8.9
418.17819	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67574	0.3
57.03442	0.6
59.01379	100.0
60.01717	1.0
61.98831	7.7
69.31607	1.5
69.32045	1.3
71.01366	2.4
72.99309	1.1
73.02947	0.6
75.00863	1.2
78.85109	0.3
83.01384	0.5
85.02963	1.0
87.00881	0.6
89.02441	0.5
98.20674	0.5
99.00873	2.0
100.47199	0.3
101.02471	0.5
103.00374	0.6
111.00888	0.7
112.98814	3.2
113.02404	0.5
115.00398	0.7
115.36944	0.3
124.98796	0.5
135.55824	0.3
142.99878	4.8
145.01497	0.4
161.04567	0.4
173.00891	3.8
174.01680	9.3
175.02475	1.1
193.12431	0.6
211.13380	4.1
223.13374	0.9
245.11716	0.5
263.12839	0.6
267.12460	1.3
279.12363	0.9
305.13858	0.4
307.11868	2.4
325.13226	0.6
337.12952	0.5
349.12921	1.2
357.26611	2.1
357.39197	0.4
367.13943	12.4
368.14471	0.9
385.15082	0.9
417.28781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69915	1.3
56.93116	1.3
57.03439	2.8
59.01379	67.6
61.20567	1.4
64.61126	1.2
69.27138	11.3
71.01376	4.5
71.96762	1.4
75.24737	1.3
83.05002	1.5
85.02950	2.0
87.00880	2.1
89.02436	2.0
103.00373	100.0
104.00678	1.7
113.02479	6.7
119.08668	2.5
133.10181	1.3
135.08099	1.2
137.09709	4.0
153.12746	1.4
158.73010	1.2
161.09744	4.4
163.07533	1.7
177.12805	1.4
179.10823	3.0
179.82477	1.2
181.08682	6.1
197.11823	35.2
198.12074	1.5
202.71931	1.2
223.09673	5.0
225.11244	1.8
241.10802	81.2
242.11118	5.2
243.12265	3.9
283.11865	18.4
313.12857	12.1
314.13150	1.9
324.65933	1.4
373.15005	11.0
417.13901	26.2
418.14163	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	417.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38657	0.7
53.86572	0.7
55.05455	0.6
57.03445	1.6
59.01067	1.4
59.01378	48.1
61.98830	100.0
63.99264	0.8
69.73299	2.9
71.01401	4.0
73.02960	1.2
75.00883	2.0
75.39178	0.6
83.01368	0.8
85.02966	2.0
87.00900	0.9
89.02427	1.5
99.00856	1.0
101.02444	5.3
103.00368	0.9
113.02469	1.8
121.02999	1.5
123.08154	0.8
137.02412	0.9
139.11330	2.0
161.04558	1.1
174.01654	1.4
181.12323	2.4
183.10242	5.8
225.11299	6.2
243.12376	6.7
279.12445	2.4
297.13559	5.5
327.14526	2.8
327.21985	0.8
357.26535	2.5
367.14041	0.9
399.23895	1.4
417.13113	5.7
417.24490	1.8
417.28793	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03448	1.2
59.01379	100.0
60.55384	0.9
61.98832	46.5
69.16840	9.5
71.01379	31.0
71.01665	0.6
71.01772	1.1
72.15455	1.0
72.99309	1.8
73.02944	4.2
74.02454	1.4
75.00872	2.3
83.01356	1.5
85.02943	9.0
85.67348	1.0
87.00882	2.6
89.02445	26.1
95.01372	1.9
97.02942	1.4
99.00875	3.6
101.02436	17.2
103.00381	18.6
113.02452	14.5
115.00412	1.4
119.03499	11.2
119.95060	1.0
120.99644	1.2
126.84889	1.1
129.01932	3.8
143.03477	4.6
159.02995	1.6
161.03299	1.2
161.04562	21.4
162.04927	1.1
166.05132	1.0
177.04074	1.7
177.09180	5.3
179.05620	8.6
179.07059	1.4
180.71132	1.0
191.13889	1.1
195.10240	2.0
239.12828	1.7
241.10815	2.7
272.50290	1.3
299.00717	1.2
331.21310	1.2
357.15527	32.6
358.15912	2.3
374.12531	1.3
391.50314	1.3
417.13513	3.8
417.17786	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.9
57.03442	2.2
59.01378	81.9
60.01701	1.3
61.65033	0.8
61.98829	100.0
70.38684	3.0
71.01383	35.6
73.02945	13.3
75.00874	1.5
78.94863	0.9
83.01385	4.9
85.02955	17.1
87.00877	2.5
89.02452	3.7
95.01415	2.0
95.05804	0.8
95.63288	0.9
97.02955	1.5
99.00891	4.7
101.02442	25.3
103.00378	14.9
111.52144	0.9
113.02440	17.1
115.00385	1.2
129.01952	1.4
130.08748	1.6
143.03481	2.8
152.03134	0.9
152.07184	1.5
154.99841	0.9
159.03027	4.4
161.04549	51.5
165.09215	11.3
197.11725	1.9
201.82626	1.0
223.09818	1.1
227.03365	1.0
239.12924	2.8
241.10876	1.4
283.11862	0.9
313.12335	1.3
341.11429	0.9
357.15503	35.2
358.15884	3.3
358.99493	0.9
371.66675	0.9
387.22363	1.7
417.08755	1.2
417.13779	2.9
417.23016	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69915	1.3
56.93116	1.3
57.03439	2.8
59.01379	67.6
61.20567	1.4
64.61126	1.2
69.27138	11.3
71.01376	4.5
71.96762	1.4
75.24737	1.3
83.05002	1.5
85.02950	2.0
87.00880	2.1
89.02436	2.0
103.00373	100.0
104.00678	1.7
113.02479	6.7
119.08668	2.5
133.10181	1.3
135.08099	1.2
137.09709	4.0
153.12746	1.4
158.73010	1.2
161.09744	4.4
163.07533	1.7
177.12805	1.4
179.10823	3.0
179.82477	1.2
181.08682	6.1
197.11823	35.2
198.12074	1.5
202.71931	1.2
223.09673	5.0
225.11244	1.8
241.10802	81.2
242.11118	5.2
243.12265	3.9
283.11865	18.4
313.12857	12.1
314.13150	1.9
324.65933	1.4
373.15005	11.0
417.13901	26.2
418.14163	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	417.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50161	0.5
57.03433	1.0
58.00592	0.8
58.93090	0.7
59.01378	44.9
60.43332	0.5
69.35333	2.3
69.35751	1.8
71.01392	2.6
85.02957	1.5
87.00884	1.6
89.02424	0.5
90.25201	0.5
94.69856	0.5
103.00372	100.0
104.00706	1.3
104.05078	1.2
113.02456	2.5
119.08629	1.1
122.06129	1.2
128.04333	0.5
130.13815	0.5
130.55341	0.6
133.10213	0.6
135.08148	1.0
137.09747	2.6
140.05727	0.5
148.04021	1.2
152.07162	2.3
161.09709	2.1
163.07712	1.0
179.10791	1.5
181.08698	3.0
197.11830	17.4
198.12201	1.1
223.09795	2.7
239.12918	0.8
241.10811	22.1
242.11186	1.5
258.06293	0.6
283.11850	6.5
313.12439	3.6
341.11423	1.5
373.14850	1.6
382.00897	0.6
417.13892	21.7
418.14117	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0824
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
59.01378	12.1
61.98809	1.7
67.73032	0.5
71.52192	0.8
73.02933	0.8
75.00877	1.4
83.01398	0.6
83.04995	0.7
85.02905	0.6
88.98830	0.8
89.02419	0.6
94.02973	2.6
97.06571	0.7
101.02427	1.1
103.00341	3.5
107.01357	0.9
113.80146	0.6
122.89369	0.7
124.91840	0.6
135.00954	0.6
139.11275	3.1
149.04507	0.9
151.00352	2.5
162.45782	0.5
165.04028	1.7
174.93202	0.6
181.12360	1.5
183.04431	0.6
183.10257	3.4
195.13873	1.3
197.11711	0.9
211.03987	1.7
223.13371	1.6
225.11324	1.6
227.03481	68.2
228.03795	4.4
229.04976	1.6
241.10825	1.1
241.14418	6.0
243.12369	8.3
255.02971	92.2
256.03516	11.8
257.04239	1.0
263.76517	0.6
269.13974	0.8
283.15463	4.0
284.03247	84.2
285.03931	26.2
285.13483	0.8
286.04306	1.7
357.15475	1.4
417.08246	100.0
418.08533	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	415.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45689	0.9
59.01381	100.0
61.98813	1.1
69.20061	0.8
70.09221	3.9
76.49059	0.8
86.26209	0.9
96.35531	1.0
98.20521	1.5
101.02401	1.9
157.17474	1.1
191.16966	0.9
191.75990	1.0
253.21776	2.4
270.11435	0.9
349.74371	1.2
425.84067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32946	0.2
59.01371	0.5
61.98829	100.0
63.43760	0.2
70.07404	0.5
70.07822	0.8
71.01395	0.3
88.04058	0.4
96.96040	0.7
98.19880	0.4
103.00378	0.4
123.15385	0.3
128.03517	0.4
138.05644	0.3
158.71620	0.3
416.21735	0.9
417.20038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.97133	1.0
61.98820	1.6
68.99568	1.7
71.51804	1.5
78.02624	0.9
103.50600	1.0
112.98564	1.8
124.14471	0.8
201.70015	1.0
225.50099	1.2
279.23303	2.8
321.22137	3.0
397.97839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03450	0.9
59.01379	100.0
60.01698	1.2
61.98837	2.6
65.13695	0.4
65.95709	0.4
71.01386	4.7
73.02952	1.3
83.01386	0.7
84.70999	0.4
85.02959	2.7
87.00870	0.5
88.98891	0.4
89.02436	0.9
92.67297	0.4
96.12435	0.5
98.20689	1.0
99.00871	0.8
101.02433	4.0
103.00369	0.9
113.02466	1.9
143.03601	0.5
161.04616	1.8
179.10812	1.0
196.00465	0.4
223.09753	1.0
225.94894	0.4
242.09377	0.4
255.02945	0.5
267.12405	0.7
275.11606	0.5
285.04126	0.9
332.21732	0.4
335.10062	0.5
338.32294	0.4
342.40295	0.5
370.60065	0.5
373.22440	1.9
415.23624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
59.01378	12.4
60.99304	1.0
61.98531	0.7
61.98832	7.4
70.02969	2.1
71.01386	5.2
71.50267	0.6
71.50729	0.8
72.04555	0.6
72.99291	1.1
74.02464	1.5
75.00876	1.0
83.01392	2.0
85.02919	1.3
86.02493	1.2
87.00863	0.8
87.05644	3.0
87.06087	0.5
87.71148	0.5
88.04039	67.9
88.98804	7.6
89.02435	2.1
89.04362	1.0
93.03458	16.3
95.01382	0.7
95.02539	1.3
96.00909	9.8
96.04532	0.9
97.02984	0.8
97.06612	0.5
98.02479	15.0
99.92568	1.3
101.02431	0.6
103.00371	100.0
104.00722	1.7
107.01410	1.0
107.05001	1.1
108.02169	0.8
109.01687	1.2
111.02059	0.6
113.02477	0.9
113.03556	6.8
114.01952	1.5
115.00379	0.8
115.08763	1.5
115.92074	0.9
116.07150	0.7
116.92838	1.1
119.05029	0.9
121.02936	0.7
122.03713	0.6
124.02755	0.9
125.02451	5.8
125.07233	1.0
126.04277	1.3
126.05626	1.1
129.10327	1.3
130.08711	0.7
131.04623	6.8
136.01640	1.2
137.02449	17.2
138.02876	0.6
139.08768	0.9
141.06720	2.5
141.10368	4.1
143.11902	3.8
149.02437	1.4
151.00374	7.4
153.10431	0.5
155.08296	0.8
163.04012	0.6
165.10342	0.8
166.08704	3.5
167.08252	1.1
169.01401	4.6
169.09821	1.2
175.00342	0.8
175.02466	1.3
175.11266	0.6
177.12897	0.7
179.03473	4.1
179.07014	0.6
181.13402	0.7
183.11360	1.0
183.14990	0.9
187.10873	10.8
193.01320	1.2
193.13451	0.8
194.11862	0.6
209.04543	7.2
209.09271	2.7
211.14513	3.5
213.08794	1.4
217.12283	0.6
219.10204	0.9
221.16638	1.1
239.09241	7.4
239.12849	3.7
253.10832	0.5
253.14404	0.7
281.11292	1.0
292.20245	0.6
300.19223	1.5
331.06686	14.3
332.82193	0.5
336.19247	2.1
350.25470	0.5
350.96503	0.5
368.29742	0.5
380.18268	58.0
381.18582	6.3
397.20914	11.0
398.19788	1.7
415.12146	3.9
415.16248	7.9
415.22064	20.9
416.12369	0.8
416.21762	3.0
434.77347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65051	0.4
57.03440	2.2
58.00588	0.6
59.01377	13.0
63.25664	0.5
69.40247	0.9
69.40675	2.4
71.01385	3.9
71.18485	0.5
73.02950	1.0
75.00858	0.7
83.01388	0.6
83.05032	0.7
85.02963	0.5
93.03466	3.7
95.05004	0.9
97.06589	1.0
98.19929	1.1
103.00374	100.0
104.00719	1.5
115.00372	0.5
123.08168	1.1
126.51159	0.4
135.08066	0.5
137.02495	4.6
161.09625	0.5
163.92712	0.5
175.02490	1.5
177.12770	0.9
179.03528	1.4
179.07135	0.7
179.10822	0.7
179.85907	0.5
181.12212	0.5
205.08701	0.8
209.04680	1.1
217.12378	1.1
221.11792	0.5
235.13376	1.4
235.75237	0.5
239.09207	1.5
239.12874	14.7
253.14365	2.7
263.12872	1.4
280.05484	0.5
281.13989	1.8
415.16306	14.5
415.24307	1.1
416.16608	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24533	0.5
57.03452	3.0
59.01110	1.0
59.01381	13.3
61.98830	1.8
69.45143	0.6
69.94464	2.0
71.01381	4.9
72.99284	0.7
73.02946	1.1
75.00867	1.2
81.03497	0.7
83.05037	0.9
84.11872	0.6
85.02930	1.9
89.02442	1.8
98.20602	0.9
101.02479	0.9
103.00373	100.0
104.00729	1.5
111.04499	0.8
113.02510	0.7
115.00377	0.9
115.59084	0.6
121.06568	0.6
137.09717	9.6
138.10098	0.6
143.99948	0.6
151.07666	0.6
151.11292	0.7
157.53589	0.6
175.02431	1.2
177.12851	5.0
181.12300	0.7
195.13860	2.2
211.72647	0.6
217.12355	0.9
221.11777	0.8
226.38567	0.6
231.08311	0.6
235.13405	0.7
239.12894	18.6
240.13194	1.0
253.14436	2.9
263.12897	1.9
281.13950	2.0
364.57230	0.6
415.16055	18.1
416.16653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1609
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01871	0.9
57.03455	0.7
58.00591	2.4
58.75314	0.3
59.01379	68.6
60.01728	0.8
61.98840	0.3
69.03445	0.9
69.43207	1.5
71.01381	52.6
72.01727	0.8
72.99323	2.1
73.02946	17.4
75.00869	0.3
83.01382	1.4
85.02947	5.0
87.00866	1.3
89.02444	100.0
90.02765	1.4
91.04988	0.3
91.70270	0.2
95.01395	1.2
97.02991	1.3
97.47565	0.2
98.19936	0.5
99.00881	30.2
100.01216	0.4
101.02442	34.9
102.02793	0.6
103.00365	2.1
113.02443	10.2
115.00430	0.3
115.04018	0.6
117.96682	0.3
119.03503	7.6
125.02433	4.0
131.03503	17.7
143.03506	2.0
149.04553	61.6
150.04880	1.3
161.04570	2.8
179.05603	2.6
191.05611	14.0
192.05898	0.4
221.06645	2.6
233.06824	0.5
251.07693	5.4
293.08868	0.4
311.09857	0.6
415.16110	11.8
415.21323	0.5
416.16550	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
57.03455	3.0
59.01380	16.9
60.51950	0.4
61.98822	1.3
64.18134	0.5
68.52266	0.4
69.48000	1.0
69.48409	2.2
71.01378	5.2
72.99299	0.6
73.02947	3.3
75.00862	1.5
83.01359	0.9
83.05038	0.8
85.02946	2.0
89.02436	2.6
93.03464	1.0
95.05045	1.3
96.38206	0.4
98.19918	1.1
100.56290	0.5
101.02469	0.6
103.00373	100.0
104.00723	1.3
111.08158	0.5
113.02471	0.7
115.00385	0.6
121.06590	1.5
122.97886	0.4
123.08160	1.6
129.01926	1.6
137.09717	1.1
147.03009	1.4
151.11296	0.7
151.47830	0.4
165.05563	8.5
175.02534	0.9
177.12857	3.2
179.07213	0.5
179.10843	1.2
181.12218	1.1
217.12329	1.0
235.13405	1.2
239.12854	8.1
240.13255	0.7
253.14421	4.4
263.12906	1.1
267.12341	3.2
281.13953	1.1
365.07581	0.6
371.94653	0.5
415.16107	23.1
416.16449	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	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25953	0.5
57.03450	6.0
59.01385	4.4
61.98827	2.5
65.00327	6.2
69.03461	0.6
71.01380	3.9
72.99318	0.6
75.00871	2.2
78.61004	0.5
81.03464	2.6
83.01385	18.7
85.02963	1.3
87.00853	0.6
89.02464	1.1
92.64841	0.5
93.03455	4.1
95.01412	0.6
97.02953	1.6
99.00868	1.4
101.02440	1.1
101.06088	1.0
103.00372	3.9
107.01395	12.2
109.02995	0.7
113.02406	0.8
114.23096	0.5
121.02963	0.8
123.04601	0.6
124.01658	2.9
125.02444	48.2
126.02765	1.3
129.01926	1.6
131.01402	0.8
137.02446	8.4
139.04004	1.8
139.11302	1.4
140.11644	1.0
149.02464	1.4
151.00363	69.3
152.00717	2.0
165.01990	1.0
167.03459	1.7
168.00661	3.4
169.01421	25.5
170.01701	1.1
175.00342	6.5
177.01839	0.5
177.03999	2.7
179.03520	1.0
179.10739	0.8
183.10204	0.8
184.10680	0.6
193.01421	5.2
195.05130	1.4
205.01404	1.0
211.02502	1.1
228.97862	0.5
297.06219	0.9
315.07220	1.9
353.18011	1.5
367.07596	0.5
381.12344	0.5
415.12445	100.0
415.17514	5.3
416.12793	9.7
416.17960	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01379	12.1
59.61189	0.5
64.17715	0.5
67.15062	0.5
70.30347	1.0
70.30676	0.9
71.01385	3.2
71.05039	0.5
75.00875	0.7
77.73624	0.4
78.27016	0.4
86.15836	0.5
89.02444	0.9
92.02702	0.6
93.03459	21.8
94.03797	0.5
95.01416	0.9
98.20560	0.7
103.00374	100.0
104.00733	0.6
107.05023	0.9
108.02155	0.7
136.01639	1.2
137.02444	23.7
138.02797	0.5
149.02454	1.5
152.29849	0.4
158.83704	0.5
175.02446	0.8
177.12944	0.5
179.03520	4.4
209.04549	7.5
227.69171	0.5
239.09256	9.1
239.12933	1.5
280.56882	0.6
286.18100	0.5
415.11826	7.2
415.16556	1.9
416.12405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.7
61.98819	1.3
64.42442	0.6
69.32618	4.7
71.01376	3.6
72.99300	0.7
73.04060	0.9
75.00861	0.8
75.57447	0.5
77.14702	0.7
78.28783	0.6
85.02982	0.7
88.04055	3.7
93.03456	19.0
96.19324	0.5
103.00375	100.0
104.00698	1.3
108.02195	0.9
109.02419	0.6
109.94491	0.6
115.00388	0.9
130.08713	1.4
136.01660	1.1
137.02452	22.6
138.02708	0.6
149.02391	0.9
175.02463	1.4
179.03548	4.3
209.04567	8.1
235.13121	0.6
239.09239	7.7
239.12894	1.7
301.97784	0.6
371.19388	2.4
380.18469	1.3
397.20847	1.1
415.11722	5.4
415.16830	1.8
415.21994	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36110	0.7
57.03445	3.3
59.01382	12.9
60.00831	0.7
60.99302	1.8
60.99582	0.8
61.98833	15.4
65.00339	2.3
70.02985	1.1
71.01382	6.1
71.02494	1.0
71.51786	0.8
72.99313	0.9
73.02920	0.9
73.04077	1.3
74.02477	2.6
75.00861	1.7
77.46198	0.8
81.03461	1.5
83.01383	8.7
85.02955	1.2
86.02538	0.9
87.05624	1.8
88.04044	42.5
88.98805	11.0
89.02461	3.2
89.04468	1.0
93.03458	19.1
95.01405	1.0
95.02522	1.0
96.00906	6.9
97.02973	1.0
98.02489	11.3
99.00870	1.0
99.92548	1.9
101.02428	1.7
103.00374	100.0
104.00710	1.8
107.01399	5.5
107.05033	1.3
109.01656	0.9
113.02435	1.5
113.03537	4.0
115.00364	0.9
115.08805	1.5
115.92135	0.9
116.07233	1.0
124.01668	1.0
124.02839	1.2
125.02447	30.5
125.07235	1.2
128.03517	2.4
129.10326	2.2
130.08731	1.7
131.04611	4.0
135.04538	3.2
137.01469	1.5
137.02452	18.5
138.09276	1.1
139.04025	1.0
141.06693	2.0
141.10373	2.3
143.11925	2.5
149.02431	1.8
151.00363	40.4
152.00706	1.8
155.11926	0.8
166.08717	1.8
167.03516	2.1
167.08311	0.9
168.00687	2.2
169.01436	21.6
169.09761	1.2
170.01666	0.8
174.01688	1.0
175.00383	4.6
175.02487	2.0
176.07120	1.0
179.03520	9.1
187.10910	4.7
193.01450	4.0
193.95242	0.9
201.12424	1.9
205.01436	1.0
209.04553	7.8
211.02481	1.7
211.14491	1.9
221.11815	1.2
227.14001	3.4
239.09254	7.5
239.12856	4.0
253.07100	4.0
281.19699	1.3
285.19232	1.1
300.19397	1.0
331.06693	91.2
332.07111	5.4
380.18256	36.3
381.18573	3.7
385.20737	4.4
397.20966	8.4
398.19519	1.7
415.08517	4.9
415.12646	5.4
415.16467	3.9
415.21500	21.1
416.16315	1.1
416.22250	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	415.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49463	0.6
57.03455	3.2
59.01381	9.6
61.98828	4.3
64.12594	0.6
65.00323	3.4
65.43806	0.6
70.08557	1.4
70.08949	1.7
71.01377	3.5
73.02945	0.8
75.00859	0.7
81.03459	1.4
83.01392	10.1
85.02961	1.0
88.98815	2.5
89.02436	1.4
93.03462	7.5
95.01375	1.0
97.02945	1.5
103.00373	59.4
104.00697	0.9
107.01382	6.3
108.08204	0.7
111.08163	1.0
113.02410	1.2
115.00356	0.8
119.05026	1.0
121.03023	0.8
124.01671	1.0
125.02444	35.6
126.02795	0.9
127.50278	0.6
128.03519	1.5
129.10394	0.8
131.01335	1.1
134.03728	2.7
135.04506	0.6
137.02444	8.5
139.03999	0.8
149.02419	1.6
149.06064	1.4
151.00366	46.5
152.00708	1.5
158.91902	0.7
167.03561	1.2
168.00620	1.9
169.01425	22.3
170.01779	1.0
175.00352	6.8
175.01955	0.7
175.02283	0.6
178.02649	0.8
179.03494	2.6
182.08139	0.8
193.01424	4.9
193.05037	5.2
205.01457	0.9
209.04514	2.4
211.02446	2.4
217.12488	0.7
221.11804	2.1
239.09206	3.3
239.12863	2.1
254.10361	2.2
257.57462	0.7
281.19815	1.6
283.12509	0.7
286.17728	0.8
289.25671	0.6
300.19373	0.7
331.06693	100.0
332.06989	8.4
415.08224	8.5
415.16098	5.3
415.22037	3.6
416.09015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66151	0.9
59.01380	100.0
61.36206	0.9
66.53295	0.8
71.28207	1.9
74.37791	0.8
75.68062	0.8
90.89108	0.8
114.91265	0.8
180.56363	0.8
207.23792	1.1
391.83722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34079	0.3
54.95063	0.3
59.01366	1.8
61.98832	100.0
67.07346	0.2
69.99678	0.6
70.00085	1.2
71.01387	0.4
81.02982	0.3
93.70672	0.3
103.00368	0.7
118.05737	0.3
121.02963	0.5
122.03728	0.4
136.07733	0.6
164.11278	0.3
191.10788	0.5
291.08875	0.4
295.56512	0.3
339.13474	0.4
383.12598	0.6
415.14276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14988	0.9
59.01378	100.0
60.01714	1.5
63.64100	0.9
70.82884	1.9
70.88875	0.8
73.01669	1.0
93.61352	1.1
99.84312	0.9
140.15475	0.9
364.98886	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95171	0.3
55.01891	0.6
57.03442	1.2
59.01380	100.0
60.01718	1.1
61.98831	2.5
71.01382	9.1
71.11904	0.4
72.99304	0.4
73.02943	3.1
74.03297	0.3
83.01390	1.8
85.02953	4.5
87.00916	0.4
89.02454	2.0
95.01402	0.6
97.02999	0.3
99.00884	1.7
101.02443	6.4
103.00423	0.3
106.67323	0.3
107.74364	0.3
113.02465	4.0
113.98268	0.3
114.85154	0.3
119.03532	0.6
125.02465	0.4
137.09735	0.5
143.03577	0.4
154.26917	0.2
159.03024	0.8
159.05051	0.2
160.63159	0.2
161.04561	3.0
162.89345	0.2
163.07892	0.2
209.15443	1.4
241.09213	0.4
306.13287	0.3
341.84421	0.3
353.19632	2.8
354.20459	0.3
367.57474	0.2
371.20734	11.3
372.21060	1.3
394.77393	0.3
413.22186	1.7
414.21674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03446	0.6
59.01378	100.0
60.01710	0.7
61.98827	1.6
69.37878	2.8
71.01381	6.3
73.02949	1.9
83.01394	0.9
85.02961	2.1
88.73471	0.3
89.02445	1.9
97.01205	0.4
99.00906	1.0
101.02448	3.5
113.02435	2.8
119.03539	0.7
129.06738	0.3
130.08765	0.9
133.65254	0.3
144.45869	0.3
161.04575	2.0
209.15497	1.0
229.09695	0.5
241.09062	0.8
277.19336	0.4
285.04294	0.5
353.19720	1.1
371.20792	4.2
400.03946	0.4
413.17569	0.6
413.23984	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30594	0.7
58.62891	0.7
59.01380	100.0
60.01725	1.5
70.82542	1.6
75.77113	0.7
81.41502	0.7
84.36749	0.7
90.05413	0.7
96.14487	0.6
151.83188	0.7
279.22958	0.7
280.99072	0.7
297.85364	0.7
352.34048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21841	0.8
55.01861	1.3
55.78576	0.8
56.94859	0.9
57.03450	100.0
58.03791	2.0
59.01379	86.4
69.59311	0.8
69.83681	1.1
69.83946	4.6
71.01384	19.0
73.02936	6.7
81.03458	1.5
83.01385	4.5
83.17998	0.8
83.57933	0.8
85.02956	9.1
85.83868	0.9
89.00002	0.8
89.02448	1.5
89.69103	1.0
95.01399	2.0
97.02975	0.9
99.00888	2.3
99.04519	80.0
100.04867	1.4
101.02443	34.8
102.02722	1.0
103.00377	0.9
113.02454	7.5
115.43655	0.9
118.21152	0.8
125.02443	26.4
143.03479	2.4
154.60904	1.1
159.03055	1.6
161.04541	9.1
165.96646	0.9
190.30113	1.0
237.94324	1.0
239.13071	1.3
247.33583	0.9
269.10263	24.9
270.10696	2.0
311.11230	2.7
413.14499	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	411.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.0
61.44594	0.2
61.98826	2.3
65.00321	0.3
65.98044	0.2
69.03455	1.3
69.63952	0.6
69.64365	1.2
70.64916	0.3
70.92056	0.2
71.01382	0.8
71.05645	0.3
79.01910	0.3
81.03475	0.8
83.01392	1.4
85.03002	0.5
87.00885	0.3
89.02457	1.1
95.01409	0.6
96.96004	1.4
97.02954	1.2
101.02444	1.2
103.04014	0.4
107.01392	0.9
110.41268	0.3
113.02433	0.9
117.71126	0.3
119.03510	0.5
119.05047	0.5
124.01657	0.4
125.02448	54.7
126.02780	2.1
137.24281	0.2
151.00375	3.3
152.00758	0.4
155.03534	0.9
167.03378	0.3
168.03889	0.3
169.01419	100.0
170.01756	3.7
173.04637	0.3
179.05649	0.4
210.90492	0.3
241.00208	3.7
241.22783	0.3
325.36557	0.3
411.02353	6.0
412.02701	0.5
412.10156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65917	0.3
59.01385	1.2
61.98828	1.1
69.03445	1.5
71.01379	0.4
71.51162	0.3
81.03465	0.5
83.01385	0.6
89.02442	0.8
95.01347	0.4
96.96008	1.4
97.02954	1.0
101.02448	0.9
107.01370	1.0
113.02415	0.4
119.03458	0.4
119.04964	0.5
125.02443	53.2
126.02766	1.6
142.38062	0.3
142.75061	0.3
151.00371	4.7
155.03479	0.6
167.15657	0.3
169.01413	100.0
170.01730	3.4
179.05569	0.4
206.32491	0.3
241.00177	3.8
270.75925	0.3
411.02435	5.9
412.02246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0239
Annotation	Turgorin
Peak:m/z	Relative Intensity
53.47111	0.3
58.88821	0.3
59.01385	1.1
61.98824	2.3
63.38675	0.3
63.99260	0.3
69.03447	1.4
70.65342	0.6
71.01383	0.7
76.36517	0.3
79.01893	0.6
81.03457	0.8
83.01402	0.6
89.02431	0.8
93.42220	0.3
95.01402	0.4
96.96024	1.4
97.02961	1.0
98.84855	0.3
101.02460	0.7
107.01408	0.8
120.75892	0.3
125.02444	54.7
126.02772	2.9
137.68747	0.3
151.00365	3.3
155.03485	0.4
169.01416	100.0
170.01764	4.4
183.54350	0.3
241.00214	4.3
411.02393	5.8
412.02911	0.4
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
50.11362	0.6
58.00408	0.5
59.01384	1.1
61.98829	100.0
68.41093	0.6
70.34975	1.4
70.35361	1.2
71.35900	0.7
99.92591	1.5
113.69960	0.6
115.92104	0.8
116.92878	2.2
130.32364	0.6
180.07091	0.7
258.81979	0.8
272.04523	0.8
367.28290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53070	0.5
58.40619	0.5
59.01387	1.2
61.20094	0.6
61.98830	100.0
62.63396	0.6
67.50742	0.5
70.06527	1.3
70.06915	1.2
90.93671	0.5
99.92577	3.7
100.92599	1.3
110.32061	0.6
115.92080	2.8
116.92080	1.3
116.92873	4.0
117.92896	2.5
160.62262	0.5
167.67271	0.7
181.79800	0.6
202.08299	0.6
312.07806	1.8
323.05643	1.5
410.13779	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	410.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	8.4
59.01382	39.2
61.98820	4.2
63.14595	1.4
65.93797	1.4
69.03453	3.0
69.78160	7.7
71.01383	18.1
73.02959	3.3
74.86314	1.4
83.01378	23.8
85.02942	5.4
89.02443	20.1
97.02937	4.4
98.19991	1.8
101.02439	27.1
111.04484	3.4
113.02448	14.4
119.03514	7.1
125.02448	100.0
126.02802	2.9
131.03508	1.4
143.03510	6.7
155.02275	2.3
155.03496	32.1
161.04552	5.9
167.03503	7.0
173.04584	7.0
179.05609	20.3
185.04582	3.6
203.05589	13.6
231.90839	1.3
245.06581	2.3
263.07687	8.2
347.09988	3.3
357.80948	1.4
374.10846	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	409.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11975	1.2
53.31603	1.2
55.18847	1.1
56.85779	1.2
57.77267	1.2
59.01374	8.2
61.98833	7.1
65.39466	1.4
67.17605	1.2
69.03447	3.0
71.53056	2.2
80.91693	9.0
99.27927	1.4
99.92572	2.4
104.59672	1.2
119.08649	2.5
121.26416	1.2
125.09688	2.2
136.07698	1.7
137.02438	8.3
137.09724	13.0
147.04491	1.4
149.02452	4.8
165.08958	1.7
171.10257	20.5
193.08456	100.0
194.08778	3.9
201.11354	2.5
223.09546	3.6
225.09819	1.9
230.89012	1.3
253.10567	2.2
327.21680	9.5
331.18369	4.5
349.19571	1.9
409.12714	4.7
409.17734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
61.98830	100.0
69.03449	0.3
70.90697	0.3
70.92759	0.7
71.01392	1.2
73.02928	0.4
83.01402	1.3
89.02456	1.4
94.03039	0.3
97.02992	0.5
97.20371	0.3
101.02444	1.5
113.02481	0.9
119.03548	0.7
125.02445	4.4
136.61156	0.3
155.03462	1.7
167.03497	0.4
173.04573	0.3
179.05643	0.8
203.05640	0.5
245.06664	0.4
263.07825	0.6
277.80130	0.3
316.81696	0.3
349.15234	0.4
349.62286	0.3
357.72119	0.3
401.91269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21528	2.2
54.82834	2.3
59.01108	3.9
59.01381	49.2
61.98823	12.6
65.67564	2.2
71.01369	7.3
73.02922	7.9
76.50562	2.3
93.03450	8.8
95.01394	13.1
96.96021	5.5
108.02208	15.6
113.02519	2.9
124.46697	2.6
128.43054	2.3
136.01668	100.0
149.02429	7.0
154.06937	2.2
161.09689	8.0
162.03326	2.3
190.76958	2.4
192.04131	2.9
205.08691	78.1
206.08904	3.8
216.68851	2.5
289.18091	3.1
291.18845	2.6
373.25565	3.7
409.18857	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.4
61.98829	100.0
68.01404	1.7
70.43939	1.5
70.44334	1.1
71.01381	2.3
73.02954	1.5
82.64444	0.5
85.02946	1.0
101.02421	2.9
110.02499	0.7
113.02449	1.8
161.04556	1.3
165.81880	0.6
194.27028	0.6
203.05670	1.5
230.06700	6.8
349.18777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82910	0.5
56.06480	0.6
59.01402	0.6
60.44084	0.5
61.36992	0.5
61.98831	100.0
71.42356	0.9
93.38248	0.6
115.92107	0.7
152.99615	0.6
220.94235	0.6
261.00632	0.6
299.35318	0.6
319.22748	0.7
347.22086	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.5
61.98830	100.0
70.63177	2.6
78.94547	0.7
78.95882	0.7
83.53669	0.7
87.75368	0.8
118.99780	0.9
225.34126	0.8
311.22183	1.5
405.75256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38817	0.5
59.01377	19.8
59.43603	0.6
61.98829	100.0
62.46204	0.6
68.01418	1.7
69.59040	3.2
71.01398	2.2
73.02942	2.0
83.01402	1.0
89.02448	1.7
98.20644	0.7
99.85696	0.6
101.02464	2.6
110.02494	1.7
111.05291	0.7
113.02447	1.0
116.56905	0.5
132.76793	0.6
149.04544	0.8
161.04570	2.0
186.73140	0.7
203.05632	2.2
230.06679	7.9
302.12524	1.3
349.18585	1.2
377.75122	0.7
406.97433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.4
60.84128	0.4
61.98830	100.0
62.84036	0.4
69.44116	3.1
75.24367	0.4
90.94501	0.4
195.45222	0.4
211.54585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	2.4
61.98832	100.0
67.15627	1.0
68.99577	1.3
69.72836	5.2
71.56083	0.9
88.14411	1.0
90.60103	0.9
98.19910	1.8
112.98557	1.0
116.92864	1.4
158.63243	1.0
242.55127	0.9
263.81937	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.6
60.01715	0.4
61.98830	100.0
70.53296	0.3
71.01392	0.8
71.52082	0.3
82.50809	0.3
83.01399	0.6
119.05023	4.7
139.11299	0.7
140.11639	0.9
142.08672	0.3
163.03992	4.5
166.05119	1.3
171.10281	1.0
172.10609	0.4
177.37148	0.3
182.12650	0.5
183.10323	0.7
184.10640	0.6
185.10814	0.4
186.07700	0.6
192.84090	0.3
195.99644	0.3
217.04430	0.4
243.12383	0.7
244.12723	2.5
245.12949	1.3
246.13217	1.3
255.02939	0.6
283.02554	0.6
284.03378	0.4
284.09372	0.3
285.04074	0.8
286.13779	0.5
288.14240	0.6
325.09308	0.5
345.15619	0.5
348.16272	0.5
359.21173	0.4
408.19336	1.3
408.26993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1862
Annotation	SOPHORAFLAVANONE A
Peak:m/z	Relative Intensity
59.01387	1.8
61.98817	3.7
70.06873	1.2
70.07269	2.1
78.95920	1.0
80.02640	0.9
81.08605	0.8
83.24973	0.8
93.03432	1.7
98.20600	1.0
99.92537	1.4
102.09981	0.7
105.48720	0.9
107.05048	1.5
108.02183	5.7
109.02937	1.9
116.92874	2.6
118.00961	0.8
119.05031	64.9
120.05350	2.3
121.02945	7.9
122.03804	3.9
123.04520	3.1
133.03006	1.3
135.04526	1.3
136.01653	1.5
136.07660	0.8
143.05023	1.9
145.02945	6.2
145.06671	0.9
149.02440	2.5
152.01167	4.3
157.06544	1.4
159.04546	1.6
161.02431	2.6
161.05965	0.8
162.03223	1.7
165.01910	3.6
168.90543	0.9
175.03992	1.0
175.07649	1.5
177.12827	1.0
187.03970	4.2
188.04764	3.8
189.05432	0.9
194.02188	1.7
201.05629	1.2
201.09300	0.8
203.07161	9.2
217.08748	0.9
234.05351	1.1
239.07153	1.0
243.13895	3.5
245.15446	10.0
255.06607	4.7
267.06723	4.1
269.11917	2.0
273.15039	1.1
279.06619	6.8
287.12848	7.4
299.12799	0.9
338.10400	1.1
363.19672	2.9
379.19165	18.7
380.19492	3.2
407.18628	100.0
408.18942	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70983	0.3
59.01379	4.6
60.01722	0.3
61.98829	100.0
62.98519	0.6
70.99199	0.6
71.01395	1.2
73.02951	0.6
75.00875	2.8
77.18156	0.3
81.80039	0.3
85.02964	0.6
85.08681	0.3
89.02431	0.4
93.84397	0.3
101.02455	1.0
111.70441	0.3
113.02454	0.6
133.01428	1.0
135.04546	1.0
136.04837	0.3
139.11320	0.7
161.04602	0.3
171.10269	7.2
179.03574	1.1
181.12328	0.4
183.10333	0.8
184.10635	0.4
196.12697	0.4
239.13008	0.4
243.12354	1.8
244.12822	0.8
245.13017	1.3
253.09378	0.9
287.13992	0.8
347.17023	0.9
407.18750	1.2
407.27151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17589	1.2
59.01381	2.9
59.34617	1.4
61.98831	20.1
62.48018	1.4
69.03452	2.3
71.51850	1.5
73.53306	1.3
74.33096	1.2
74.48460	1.4
99.92585	54.8
100.90446	1.3
100.92606	3.6
100.93327	3.1
115.92072	45.4
116.92858	100.0
117.92912	2.4
117.95398	1.5
123.08174	1.7
153.65109	1.3
162.16016	1.4
191.10744	1.4
209.11844	4.6
243.03180	1.5
267.03317	2.1
279.03418	2.3
292.04288	1.6
309.04352	2.5
320.03513	2.3
347.18735	2.1
348.18262	1.5
384.35666	1.6
407.11679	53.7
407.17551	2.5
408.11987	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	406.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.2
60.01729	1.3
61.98830	100.0
69.65490	3.2
69.65880	2.6
120.53916	1.1
136.07683	18.8
144.63860	0.9
158.02443	1.4
161.53889	1.1
190.05103	5.3
199.94052	1.5
211.13121	1.1
222.07677	5.9
248.43761	1.1
371.11755	1.5
371.16153	20.5
394.42502	1.3
406.23267	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	407.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
57.79885	1.3
59.01381	22.9
61.49126	1.2
61.98830	59.1
64.13659	1.3
65.99844	1.9
68.58524	1.2
69.35412	2.8
69.35816	7.4
71.01369	8.3
72.99283	1.5
73.02929	3.1
76.79717	1.2
82.02985	9.8
83.01359	2.2
83.02512	2.7
85.02949	3.8
87.00876	1.7
89.02430	4.8
90.30435	1.3
96.00909	6.1
96.95995	2.3
98.02480	6.9
98.19910	2.6
99.00883	4.5
101.02429	6.6
110.02450	2.2
113.02451	4.5
113.03530	2.1
119.03545	1.7
119.05016	3.1
119.08652	1.6
124.03985	1.3
128.03589	2.0
130.08765	14.1
133.01454	2.0
135.04494	4.2
136.03955	2.2
137.09706	9.1
138.09224	2.5
160.07581	3.3
161.04585	2.7
162.04312	2.1
162.05600	3.1
164.03506	6.3
164.07231	1.7
171.10255	20.3
172.10785	2.0
174.05676	1.8
179.03476	4.1
185.12973	5.8
186.05647	2.5
188.07201	3.4
190.05089	2.1
191.04636	1.8
197.08273	1.5
202.08655	3.0
205.09793	2.1
215.08360	1.7
216.04971	3.4
216.06636	5.2
216.10310	1.8
217.02539	6.0
217.06065	7.0
218.06888	2.3
221.11974	1.5
227.08195	2.0
228.06612	3.4
229.06013	7.9
230.03200	1.8
230.06920	3.2
231.07701	10.4
232.08226	1.5
233.09132	1.6
234.84834	1.4
239.12854	29.5
241.06117	2.2
242.03204	2.5
243.04044	16.1
243.07794	3.3
244.04807	13.0
244.09836	10.2
245.05287	1.5
245.09290	7.7
248.09230	2.6
253.09088	1.6
254.06923	1.7
256.04868	5.0
257.05637	13.7
258.06235	7.0
259.07190	40.1
259.10800	6.9
260.07162	1.9
269.09393	2.8
271.07156	20.1
272.07642	1.9
275.13797	1.5
276.12167	1.8
285.05341	1.4
285.08786	3.6
287.10373	62.1
288.08670	5.3
288.11154	2.7
291.09763	11.3
300.15677	2.0
303.09833	1.6
313.08289	100.0
314.08582	7.9
331.09329	47.3
331.13248	2.3
332.09656	3.3
335.08875	2.1
344.18234	2.8
345.10876	7.5
345.14450	1.8
357.07437	2.8
373.14020	18.1
375.08307	23.3
376.08481	1.7
389.09592	3.2
389.13870	2.1
390.16742	10.0
406.21628	2.8
407.10922	64.8
407.18634	16.8
408.11368	6.9
408.17593	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	406.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.2
61.98830	100.0
69.64723	6.4
79.50805	1.1
88.98357	1.0
116.01294	1.1
141.09187	1.1
185.08176	1.4
239.12874	1.2
265.15283	1.1
407.21750	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	406.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.3
61.98829	100.0
69.64784	3.4
83.56408	0.5
109.49858	0.6
116.05363	0.7
123.08237	0.7
171.10397	0.8
197.76031	0.6
244.47839	0.6
282.81436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90354	0.3
59.01379	1.2
61.98831	100.0
71.21403	0.6
78.95892	0.5
87.49718	0.4
96.97003	1.0
116.92886	0.4
128.25781	0.3
128.26993	0.3
197.11934	0.6
207.51587	0.4
309.10388	0.4
309.20840	0.8
322.79135	0.4
355.77695	0.4
404.19705	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56079	0.5
59.01379	1.0
61.98829	100.0
62.98612	0.5
69.44455	1.5
69.44870	2.3
78.11345	0.5
78.95909	0.7
89.75860	0.6
98.19937	1.1
98.28053	0.5
168.00801	0.5
187.87737	0.5
368.86002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24292	8.4
55.68674	7.8
59.01365	24.1
61.98829	100.0
69.37309	7.4
69.37658	63.5
75.57766	7.5
116.54955	8.5
119.05005	18.7
402.13501	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	406.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	59.1
61.98829	7.6
66.03484	1.0
67.01888	4.7
67.83813	0.7
69.48464	4.3
71.01380	6.2
73.02944	0.8
77.45698	0.6
82.02973	1.3
84.09337	0.6
85.02941	0.9
87.00867	0.8
89.02443	17.7
90.08234	0.5
94.02985	100.0
95.03316	2.9
98.19939	1.0
101.02429	0.6
112.04079	1.0
113.02467	0.7
114.22020	0.6
145.06198	0.8
161.04529	1.3
203.05614	1.5
203.94640	0.6
233.06650	1.7
256.08350	1.1
286.09244	4.4
297.33572	0.7
298.09409	1.7
328.10535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	48.9
61.81918	12.4
61.98832	100.0
69.47451	36.1
69.47868	47.4
95.43913	12.3
96.96939	18.6
99.28073	14.3
119.76624	12.1
123.64292	12.5
127.07497	11.6
136.60022	12.5
149.61295	11.3
171.10274	15.1
187.37564	16.3
209.11832	36.4
214.57118	11.9
241.92242	11.7
262.28119	13.0
271.38138	11.3
282.65561	13.4
307.19110	14.5
405.26010	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72746	0.3
57.03446	1.2
58.00607	0.5
59.01377	37.9
60.01704	0.5
61.98834	1.0
70.14269	0.3
70.14614	1.0
71.01379	2.1
73.02955	1.8
83.01386	0.4
84.81669	0.3
85.02944	0.7
87.04518	0.5
101.02449	3.1
103.00381	0.3
112.38042	0.3
113.02435	0.5
131.03532	0.3
135.00882	0.7
136.76875	0.3
139.11282	24.8
140.11613	0.9
153.01967	0.4
155.15631	0.3
163.11299	0.7
165.09203	1.3
169.12366	0.5
179.10768	0.6
181.12329	13.5
182.12659	0.8
183.10249	31.0
184.10570	2.0
195.13838	0.3
197.11786	0.4
199.13416	3.2
207.10222	0.3
213.59695	0.3
225.11313	13.1
226.11653	0.9
241.67627	0.3
243.12350	100.0
244.12718	6.5
248.07928	0.3
257.13812	2.4
267.12418	0.4
285.13419	28.8
286.13831	2.0
297.13574	0.6
315.14478	6.3
316.14798	0.4
345.15497	30.2
346.15878	2.3
366.08401	0.3
375.16940	0.3
405.17612	12.6
406.17938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
59.01379	39.0
62.13409	0.5
69.39188	3.4
69.39596	0.9
71.01371	1.2
73.02947	2.0
75.99831	0.6
79.98866	0.6
82.00121	0.6
87.21219	0.6
92.51583	0.6
95.05032	0.6
98.19761	0.8
101.02438	1.4
109.74464	0.6
113.02407	0.7
137.15897	0.6
139.11279	24.5
140.11627	1.4
163.31209	0.6
163.41646	0.6
165.09224	1.5
181.12343	10.1
182.12735	0.7
183.10257	24.9
184.10593	1.4
199.13379	3.1
225.11304	8.8
243.12360	100.0
244.12714	7.1
257.04694	0.7
257.13892	0.6
285.13434	14.8
286.13763	1.1
297.02762	0.7
315.14441	3.2
345.15536	16.2
346.15793	1.3
405.17542	8.4
412.04300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35812	0.6
57.03454	0.8
58.71546	0.7
59.01382	28.2
59.74662	0.7
67.97054	0.6
69.46729	4.0
69.47135	1.2
69.92164	0.7
71.01396	1.1
73.02941	1.5
85.02962	0.6
101.02439	1.9
113.00442	0.6
139.11287	20.9
140.11729	0.9
163.11285	0.9
164.37204	0.6
165.09120	0.8
171.20265	0.8
181.12337	11.6
183.10246	29.4
184.10646	1.3
199.13426	3.6
220.56653	0.8
225.11322	11.5
243.12363	100.0
244.12711	6.4
257.13809	0.9
285.13437	20.8
286.13757	1.8
315.14407	4.7
345.15552	20.9
346.15796	2.0
405.17630	11.1
406.17905	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
59.01376	6.3
60.01714	0.7
61.98830	100.0
62.98522	0.4
68.99823	0.5
70.57645	0.7
70.57957	0.5
71.01393	2.2
71.01726	0.4
73.02955	1.1
80.77747	0.3
83.05034	0.6
85.02972	0.6
89.02451	0.9
96.96008	0.5
97.02962	0.4
99.04527	1.0
101.02462	1.2
103.00388	0.6
103.04034	0.8
110.02473	0.4
119.03536	0.5
125.02457	0.7
125.99601	0.6
133.01462	1.0
135.04510	1.2
139.11316	1.2
141.01933	1.1
143.03557	0.5
143.04663	0.6
146.02509	0.6
148.04120	0.4
150.05646	0.4
161.04657	0.5
163.07610	1.9
174.01912	0.7
176.03589	0.8
176.07152	0.4
177.03423	0.8
179.03470	0.8
181.12354	0.9
183.10266	1.4
189.04411	0.4
207.06706	0.9
213.67632	0.4
225.11285	0.7
228.06950	0.6
243.12325	2.6
251.05644	0.7
256.06113	0.7
256.09909	0.5
262.24249	0.4
267.11230	0.5
273.08841	1.2
286.10776	0.6
299.10410	4.3
303.09827	0.7
311.10516	0.9
329.11441	7.5
330.11783	0.6
343.09399	1.6
343.13187	0.5
373.10483	1.6
405.08447	0.9
405.13123	1.6
405.17639	2.7
405.21906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
61.98831	100.0
71.00667	1.5
94.28265	0.6
114.08001	0.7
139.05063	0.6
214.60510	0.7
233.05089	0.7
312.32532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	3.7
59.01369	6.7
60.01709	0.7
61.98831	100.0
69.72649	1.3
69.73064	2.5
70.00272	0.6
80.47266	0.7
95.02020	0.6
112.80218	0.6
119.08630	3.5
121.06593	5.8
137.09689	3.9
139.07648	20.5
142.17810	0.7
142.76135	0.7
177.12897	3.1
183.06619	31.3
221.11893	5.6
239.12881	9.1
361.20380	2.5
429.78116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76682	0.9
59.01376	2.9
59.53856	1.0
61.98831	100.0
70.52345	1.6
70.52666	1.5
116.92897	2.0
126.94294	1.1
179.97177	0.9
334.06723	1.0
369.67517	1.0
420.30914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64846	1.1
56.80519	1.1
57.03428	1.7
58.02977	9.0
59.01373	5.7
61.98823	2.2
68.70432	1.2
69.16783	10.4
70.02961	1.6
71.01382	2.5
72.00873	1.6
74.02468	18.5
81.04585	1.7
82.02985	1.7
84.04536	1.3
86.02455	8.5
86.06133	1.4
86.99082	1.5
87.05638	5.9
90.00194	2.3
96.24295	1.2
97.04041	1.7
99.05640	17.9
101.02451	1.7
101.07195	1.8
102.05621	2.1
103.92810	1.0
106.84428	1.1
109.04094	1.8
111.05630	2.2
112.04040	2.6
113.02401	1.4
123.05629	1.2
127.05167	2.8
128.03539	53.5
129.03867	2.6
135.05649	3.6
137.07220	1.4
141.06694	3.6
143.04617	68.6
144.04985	1.6
145.06201	2.7
146.04549	5.8
153.06644	4.8
153.95396	1.3
155.08267	1.1
160.00729	18.5
166.09755	2.9
167.04590	5.6
167.08215	2.6
177.03349	5.8
179.04614	12.6
181.06166	2.1
184.10863	1.4
185.05597	1.8
192.07764	1.8
197.05696	1.8
200.53937	1.1
210.08847	14.2
228.09996	1.2
242.07678	2.1
254.07800	20.6
272.08865	34.0
273.09158	1.8
288.06525	12.1
306.07654	100.0
307.07919	6.5
350.08746	1.2
370.52576	1.2
404.14728	1.2
405.21259	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	404.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02243	0.2
61.98830	100.0
63.60403	0.2
70.22587	0.9
72.24307	0.2
72.93736	0.2
82.88591	0.3
165.05602	0.5
230.06934	0.2
283.71622	0.2
386.37790	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
57.92413	1.5
58.02997	3.2
59.01375	18.3
61.28473	1.7
61.98835	30.1
63.27215	1.7
71.01377	8.6
73.02967	2.0
74.02484	6.0
75.00874	20.1
85.02948	3.2
86.02486	1.9
87.00877	5.7
89.02460	6.4
96.96013	1.7
99.00870	6.5
99.05661	2.8
99.92585	18.2
101.02442	5.1
101.20221	1.9
103.00395	1.9
113.02468	4.1
115.92081	11.0
116.92852	23.9
117.25508	1.6
119.05032	7.8
128.03522	10.5
129.01944	13.9
135.04552	2.1
143.04578	14.6
155.93930	7.0
160.00667	3.3
163.04036	10.0
165.98584	1.8
168.07555	2.2
177.03920	1.9
179.04684	3.8
183.10219	4.6
195.05095	100.0
196.05539	3.7
197.95045	2.7
210.08743	2.2
229.00977	2.4
254.07736	4.7
272.08801	8.7
296.07578	1.8
306.07626	23.6
341.08719	9.5
358.50458	1.8
361.01224	2.6
404.15576	2.0
405.21375	7.5
424.19128	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	403.306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01709	1.8
61.98829	82.7
65.26038	0.8
69.32048	6.4
73.67778	0.7
74.45396	0.7
98.20727	1.3
115.92035	1.2
117.73890	0.7
121.02901	0.7
157.12436	0.8
157.43100	0.9
166.48003	0.7
171.10281	0.9
185.62663	0.9
200.20033	0.8
214.92897	0.9
225.34897	0.9
255.53894	0.8
329.23291	1.8
343.28433	5.2
397.94867	0.9
402.87723	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20768	0.2
59.01384	0.2
59.12431	0.2
61.46157	0.2
61.98830	100.0
62.14389	0.2
70.18831	0.5
70.19221	0.4
81.71423	0.2
85.64452	0.2
128.03586	0.4
130.51576	0.2
143.04663	0.3
146.72302	0.2
167.92735	0.2
207.28735	0.2
267.67728	0.2
289.89322	0.2
404.08481	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03682	7.3
59.01370	25.5
61.98827	100.0
70.41555	28.6
74.43087	6.8
93.82668	6.9
107.30057	7.8
151.00426	9.0
237.80893	7.8
294.95435	8.4
295.82385	7.7
321.42905	7.7
425.68732	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	403.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65901	0.3
52.53363	0.3
56.94138	0.3
58.73942	0.3
59.01379	100.0
60.01712	0.9
61.98833	4.5
68.73714	0.3
71.52557	0.4
82.44402	0.3
118.52679	0.3
121.06564	0.5
130.36078	0.3
136.07741	0.4
139.07675	0.8
149.13394	0.5
156.02098	0.3
157.12404	1.2
163.02771	0.4
171.13954	1.1
175.11349	0.7
183.06665	1.3
193.08708	0.3
219.10297	0.5
222.04102	0.6
343.28534	4.9
343.32263	0.6
344.29095	0.6
399.32187	0.3
403.30475	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00527	3.0
55.01872	3.0
57.03446	7.8
59.01373	31.0
61.98829	85.7
69.03458	3.4
71.01387	27.0
71.51527	3.8
72.99302	18.8
73.02950	13.1
75.00875	49.7
83.01384	2.7
85.02945	23.9
87.00873	4.7
89.02464	5.1
92.79567	2.8
96.03564	2.8
97.02979	4.1
99.00883	7.9
101.02435	4.0
103.00375	4.5
109.02935	5.7
114.14035	2.9
115.00391	21.9
122.06084	5.1
123.04535	2.9
125.02469	4.4
129.01952	16.1
134.65759	2.5
135.03001	15.8
139.11247	9.5
152.07132	7.5
155.10779	7.1
159.02969	8.3
163.11189	4.0
169.12366	5.8
170.45224	2.8
171.10268	35.5
175.02502	20.8
177.04008	11.9
181.12363	30.4
183.10208	12.1
183.13911	3.2
193.12259	2.8
195.05106	14.2
195.13870	19.0
197.11829	29.5
199.09746	7.6
199.13338	3.3
211.13406	5.3
221.03453	3.9
225.11317	46.6
239.12914	22.1
243.12312	23.7
267.12344	7.4
283.11853	43.3
284.11957	3.1
285.13428	100.0
286.13779	6.9
295.11005	3.8
298.58759	4.4
315.14532	13.6
325.12759	4.6
327.13586	6.5
337.61649	2.6
343.14056	10.3
381.12579	4.7
403.15881	56.4
404.16058	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	403.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28399	0.4
53.78938	0.4
56.10517	0.4
57.03450	2.8
58.00593	0.5
59.01377	62.0
60.01721	1.1
61.98829	2.0
67.05531	0.5
67.08330	0.4
71.01382	7.5
71.04993	0.7
72.99332	0.5
73.02955	1.2
79.05542	0.8
81.14336	0.4
83.01388	1.2
85.02961	1.6
87.00853	1.2
89.02438	5.9
99.04530	1.9
101.02451	3.1
103.00375	1.5
113.02431	2.8
119.03486	1.6
119.08672	2.1
130.86917	0.4
132.04503	0.6
133.10231	1.0
135.08153	0.8
135.11830	0.6
137.09727	4.3
160.04030	1.4
161.09709	3.9
163.07645	1.4
179.10803	3.4
181.08688	9.0
182.08987	0.7
186.60783	0.5
197.11819	36.4
198.12152	1.4
223.09718	3.0
241.10806	100.0
242.11157	6.2
283.11951	2.1
295.10968	1.3
315.13339	0.5
327.13376	0.8
343.14011	0.8
371.12634	0.8
403.11313	0.8
403.15958	7.8
403.23697	0.7
404.16391	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1609
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
54.57498	1.0
56.10127	1.2
57.03444	2.3
59.01378	72.2
61.98828	23.1
71.01382	7.1
71.08957	1.9
73.02949	2.0
84.18785	1.0
85.02948	2.0
87.00896	2.0
89.02454	7.4
99.04461	1.3
101.02444	3.4
107.39088	1.1
108.30056	1.0
113.02411	4.6
119.03500	2.5
119.08672	2.2
135.08116	1.6
137.09706	6.4
144.02888	1.0
161.09688	4.5
179.10751	4.4
181.08722	9.2
188.68964	1.2
197.11813	54.1
198.12085	2.7
223.09718	4.8
241.10800	100.0
242.11075	5.8
283.11826	1.7
348.99731	1.0
403.15857	8.5
404.15930	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	403.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04391	1.3
53.10185	0.9
59.01369	3.9
60.37954	1.2
61.98833	15.3
67.70488	1.1
68.99818	51.5
69.15585	4.2
69.16013	6.7
78.97491	1.1
89.00265	1.0
91.03968	1.6
96.04528	1.6
99.00826	1.2
101.02441	73.7
134.02489	5.6
136.01666	2.1
139.11263	1.3
147.74687	1.1
148.07692	2.0
161.83386	1.2
171.10263	1.8
184.07669	2.5
185.07109	1.1
188.67743	1.1
190.01485	2.3
192.02966	3.1
200.10938	1.6
205.08681	2.3
211.13422	1.2
212.05887	6.7
213.06638	3.1
213.10291	4.7
214.08745	4.4
215.11931	1.5
216.10379	1.6
222.04099	6.1
226.07169	2.2
226.08864	4.1
229.14494	1.1
239.11809	1.5
239.29274	1.0
240.05411	9.3
241.09830	22.0
243.11360	24.6
244.11644	2.1
254.06860	1.5
258.06372	1.1
267.11362	4.2
268.09711	2.5
269.09302	100.0
270.09656	7.8
271.10846	2.4
283.10861	6.3
287.10352	23.0
288.10544	1.6
295.10764	2.4
296.09164	1.9
301.11880	1.3
309.08658	1.6
311.10242	9.7
329.23230	5.1
339.09839	66.1
340.10165	5.4
371.12543	6.3
406.01770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63137	1.0
53.64285	1.1
54.52456	1.1
58.93895	1.0
61.98830	100.0
70.51765	2.8
78.70248	1.1
88.93175	1.1
99.04533	2.5
112.65096	1.0
114.96324	1.3
127.93813	1.2
163.11281	4.9
218.38931	1.2
252.71518	1.3
307.07822	1.2
339.23166	5.8
402.27203	13.9
403.26874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70653	0.2
55.78288	0.2
59.31137	0.2
61.98831	100.0
69.31198	1.8
69.60550	0.2
72.99274	0.2
73.04077	0.2
85.02979	0.3
96.96026	0.3
128.03557	1.2
150.02037	0.2
195.05074	0.2
228.96721	0.3
265.46906	0.3
349.47806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87060	0.4
57.03460	0.5
59.01379	100.0
60.01711	1.7
61.98838	2.3
69.20114	3.7
71.01382	0.9
89.02476	0.5
99.00877	0.5
101.02419	0.5
109.76231	0.4
121.02952	6.3
131.03564	0.4
134.06213	0.4
157.12463	0.5
161.71249	0.4
181.06673	0.5
287.10742	0.5
313.07422	1.7
341.11133	0.6
341.26920	4.1
342.27338	0.4
354.24176	0.4
357.06223	0.4
357.18417	0.5
401.08911	2.3
401.18665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23183	1.4
57.03447	100.0
58.43246	1.6
59.01377	54.4
61.98837	1.6
65.54409	1.3
69.65968	8.4
71.01376	19.8
73.02955	12.3
76.10938	1.4
81.03451	2.6
83.01373	3.7
85.02943	4.7
89.02430	7.1
94.43470	1.3
96.04556	26.9
99.00899	1.5
99.04517	96.4
100.04835	2.0
101.02441	34.2
102.02863	1.5
104.55500	1.7
112.30353	1.4
113.02459	10.8
119.03506	3.1
123.04530	6.6
125.02440	40.3
141.05609	1.4
143.03534	5.1
161.04546	14.6
179.05632	3.0
203.05589	5.4
241.72958	1.6
258.24139	1.7
300.10925	2.2
303.70734	1.6
402.14224	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	401.2697
Annotation	Dendroidinic acid
Peak:m/z	Relative Intensity
51.82217	0.3
53.45107	0.3
55.01869	1.3
57.95688	0.3
59.01375	0.4
61.98815	0.7
69.03460	7.4
69.61234	2.0
71.05022	0.7
97.06570	1.4
99.04521	28.3
100.04844	0.6
121.02976	1.0
165.12863	0.6
168.83167	0.3
180.32004	0.3
275.23810	6.2
276.24106	0.6
301.21744	11.5
302.22034	1.1
319.22775	7.3
327.83347	0.3
401.26944	100.0
402.22031	0.6
402.27335	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	401.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	1.1
61.98831	1.0
71.01382	0.3
71.06361	0.6
73.30401	0.3
87.68220	0.3
104.91698	0.3
121.02961	3.5
123.40430	0.3
143.01118	0.3
151.05627	0.3
192.30695	0.4
200.81665	0.3
296.16620	0.3
313.07175	1.1
314.17737	1.1
341.10880	0.4
343.88608	0.3
386.59552	0.4
401.08795	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2693
Annotation	Dendroidinic acid
Peak:m/z	Relative Intensity
50.31366	0.3
51.86908	0.3
55.01865	1.1
61.98818	0.6
69.03454	9.7
70.03780	0.3
70.57708	0.7
70.58040	0.5
71.05023	1.0
79.73006	0.3
87.20288	0.3
97.06596	0.7
99.04520	19.4
100.04850	0.5
111.04469	0.3
121.02946	0.6
127.73880	0.3
163.11324	0.4
165.12857	0.6
187.69896	0.3
202.58293	0.3
229.34021	0.3
275.23764	6.6
275.35901	0.3
276.24188	0.6
301.21719	9.3
301.25153	0.5
302.21994	0.8
319.22763	7.9
320.23148	0.7
357.27979	0.7
401.26938	100.0
402.27258	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	401.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28578	2.1
53.04203	1.7
55.01874	3.4
57.03441	5.2
58.00585	5.0
58.57724	2.0
59.01378	100.0
60.01712	2.0
61.98816	7.8
62.70930	1.8
69.70219	1.9
69.77355	3.2
69.77771	6.0
71.01379	73.5
72.99311	3.0
73.02945	9.4
73.04070	5.0
75.37660	2.1
83.01376	7.6
85.02949	20.6
87.00842	3.1
88.04031	6.6
89.02444	62.8
93.03437	6.2
95.01396	9.2
99.00877	3.9
100.36196	2.2
101.01804	3.5
101.02441	54.4
103.00389	2.2
109.42842	2.0
113.02438	34.1
115.00356	8.2
115.08757	2.6
119.03500	28.0
129.02026	1.8
131.03484	3.3
132.03043	2.8
137.02402	8.1
143.03477	5.3
159.02885	2.7
161.04539	19.3
167.07071	2.1
179.05534	4.0
193.13245	2.5
195.13907	5.2
196.06062	2.3
205.98528	1.8
210.16052	6.6
239.09158	10.2
267.18234	9.0
285.19339	11.1
286.17648	6.1
357.19180	7.3
401.17746	38.3
402.18640	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	401.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61496	0.3
59.01377	4.5
59.59306	0.3
61.98830	100.0
70.52939	1.0
71.01369	0.8
79.29858	0.3
89.02453	0.4
94.03001	1.7
95.96640	0.3
101.73641	0.3
103.00416	0.6
121.03059	0.4
125.39357	0.3
128.77074	0.3
139.11284	3.0
153.12868	0.4
163.11357	0.4
181.12346	1.8
183.10258	3.7
195.13960	0.9
197.11894	0.4
199.13354	0.3
225.11406	1.9
239.12971	0.7
243.12360	24.2
244.12787	1.4
259.59302	0.5
281.58661	0.6
313.64526	0.4
324.97437	0.4
327.21887	0.7
338.16116	1.3
338.19849	0.7
341.10825	0.6
364.12619	1.2
371.24512	0.4
386.12219	0.4
400.13220	0.3
401.25897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52769	0.4
59.01380	14.9
60.45249	0.5
61.98822	1.0
69.65855	0.5
70.09035	1.6
70.43916	0.4
71.01375	3.3
73.02944	4.2
75.00861	1.4
85.02969	1.9
87.00891	0.5
87.04531	0.5
89.02455	0.8
95.01432	0.6
101.02444	1.3
103.00374	100.0
104.00700	2.0
109.99698	0.4
111.08147	0.6
113.02464	1.5
163.11269	2.6
181.12338	20.5
182.12680	0.9
195.13914	1.2
207.10234	1.2
223.13396	0.9
225.11324	32.9
226.11635	1.8
239.12932	1.1
267.12357	10.6
268.12671	1.2
297.13666	0.9
321.13531	1.3
357.15671	1.3
401.14517	11.7
402.15021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.145
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01876	4.9
57.03194	1.5
57.03453	13.2
57.04568	0.9
59.01380	39.7
69.03435	2.0
71.01381	77.3
72.01713	1.3
72.99303	2.8
73.02946	35.4
75.00874	2.6
75.76117	0.8
81.03458	2.1
83.01375	11.1
85.02950	36.4
87.00873	4.4
89.02451	14.2
95.01376	7.2
96.04532	1.9
97.02966	3.9
99.00883	14.6
99.04516	10.0
101.02443	63.0
111.00859	1.4
113.02444	31.8
115.03992	2.9
119.03547	1.3
123.04592	0.9
125.02444	10.5
129.01991	1.1
131.03479	4.1
143.03499	4.8
149.04527	2.9
159.03021	5.3
160.65337	0.9
161.04556	43.2
162.04875	1.7
179.05650	1.0
187.07611	1.1
187.53275	0.9
191.05676	1.1
203.05559	1.3
203.10797	2.1
203.17438	1.0
215.88521	1.0
221.11891	1.2
233.06648	6.7
269.10287	81.7
270.10611	5.3
293.08826	4.1
354.95099	0.9
391.30820	1.1
401.14499	100.0
402.14746	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	401.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01368	2.8
61.98831	15.9
66.80662	0.7
67.99169	0.7
71.01377	2.0
73.02934	1.9
80.05045	1.7
85.02917	1.0
90.87580	0.8
98.20640	2.4
103.00378	1.3
104.05061	38.0
105.05425	1.6
108.08187	4.6
112.56279	0.7
120.04540	1.0
120.99650	1.2
121.02960	1.0
121.05339	2.9
131.03619	0.9
132.04547	6.3
136.07675	100.0
137.08003	3.3
144.04517	1.0
147.03249	3.7
148.04039	45.1
149.04350	1.6
152.03607	1.0
153.04297	2.5
160.04028	10.2
161.04649	1.0
162.05609	2.5
174.01927	0.8
176.03520	8.4
180.06650	7.2
187.46448	0.8
188.03534	4.3
190.05087	6.3
193.03792	1.0
206.04503	1.7
211.41631	0.8
226.03836	1.4
227.08205	0.9
240.05327	1.5
241.06172	1.7
253.13399	3.3
255.07736	1.9
267.04166	1.9
267.07797	1.0
269.12967	8.4
281.09351	1.2
283.07346	1.6
283.10245	0.8
295.07059	1.2
297.12421	68.5
298.12888	6.2
309.08878	2.9
325.11911	37.4
325.15793	1.8
326.12286	4.2
329.15036	15.8
330.15195	1.9
337.08151	1.1
339.13510	4.7
369.10886	7.7
370.11154	1.3
401.13437	23.3
401.25357	0.9
402.13736	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03445	1.9
59.01385	17.5
61.98836	3.9
68.99828	1.4
69.03447	1.3
69.71229	4.7
71.01381	19.3
72.33899	1.0
72.99314	4.5
73.02953	1.8
75.00470	1.2
75.00874	15.3
81.03445	1.0
83.01398	0.8
85.02948	17.9
87.00883	6.8
89.02443	5.6
91.01878	0.9
91.04023	1.0
93.03471	2.3
95.01376	4.2
99.00883	10.0
101.02433	1.2
103.00387	2.3
106.04230	2.0
107.05038	10.3
108.02195	0.9
109.02952	0.9
111.00907	0.8
113.02449	27.0
115.00387	2.3
117.01913	2.0
121.02928	2.5
123.04536	3.9
129.01953	2.3
131.03508	0.9
133.02954	5.7
151.04008	16.6
157.01399	1.2
172.60037	0.8
175.02470	2.6
207.05217	0.8
231.05095	2.1
249.06134	21.2
267.07199	44.9
268.07559	2.2
288.54059	0.8
338.47766	0.8
383.09723	2.5
401.10870	100.0
402.11206	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	401.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
59.01378	16.1
61.98829	100.0
65.03961	1.5
69.03455	1.2
71.01379	12.8
71.49847	1.4
72.99288	2.2
73.02947	3.6
75.00880	4.1
77.66418	0.7
83.01399	3.2
85.02949	7.3
87.00871	5.4
88.04012	1.1
89.02445	7.8
93.03442	1.0
95.01420	5.2
96.00877	1.1
96.96008	5.8
97.02939	2.0
99.00872	1.7
101.02436	9.5
107.05034	2.4
111.04569	1.3
113.02449	20.3
115.00397	2.4
117.01936	1.0
119.03529	2.2
121.02937	1.1
125.02443	22.1
128.01811	0.9
128.03488	1.4
129.01912	1.1
129.10347	1.0
131.08260	2.7
133.02942	2.3
134.06154	1.4
135.03011	1.4
135.04489	1.0
143.03493	1.4
147.04504	1.4
147.09396	0.9
151.04012	5.0
155.03508	8.8
161.04547	1.8
164.04794	1.2
165.05611	1.4
167.03497	2.3
173.04524	2.4
173.10506	1.0
174.01701	2.3
175.02440	5.3
175.07613	1.7
179.05634	2.7
179.07127	1.2
197.04517	1.5
203.05595	2.8
227.05655	4.4
231.06705	1.8
249.05972	5.0
261.07581	1.1
263.07663	1.7
265.07050	1.9
267.07178	10.6
306.07648	1.1
323.07660	2.0
341.10889	3.3
366.17651	1.1
383.20502	1.8
401.10953	23.7
401.21533	1.4
402.10999	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	400.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.0
59.01380	8.0
61.98830	100.0
71.01381	3.9
71.52351	0.9
72.99288	1.0
73.02972	1.0
73.04082	0.6
74.02464	0.7
75.36404	0.6
85.02948	1.7
87.00861	0.6
88.04086	0.7
88.98814	1.1
89.02460	1.9
101.02457	3.3
107.05025	1.5
108.20871	0.6
112.04065	0.8
113.02461	2.1
119.03526	0.6
130.08748	0.7
132.30194	0.6
161.04536	1.0
164.10869	1.4
175.25264	0.8
179.03497	3.9
220.13737	0.6
239.12869	1.3
284.71185	0.7
311.33682	0.7
401.09729	0.8
401.14392	0.9
401.18466	6.1
401.23444	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
61.98830	100.0
70.22204	1.3
71.01376	1.4
74.36136	0.3
75.00875	1.0
83.01387	0.5
85.02955	0.7
87.00879	1.1
89.02442	0.7
95.01432	0.4
95.95221	0.3
96.96025	0.4
98.19993	0.4
101.02441	0.3
105.62677	0.3
107.05061	0.4
110.02488	0.4
111.00885	0.4
113.02422	1.7
115.00356	0.6
125.02468	0.5
128.03561	0.9
133.02908	0.3
134.06129	1.4
134.26131	0.3
135.04597	0.4
151.04031	0.5
175.02510	1.2
202.08755	0.6
249.06198	0.8
267.07220	1.3
276.08838	0.9
277.48944	0.3
311.07928	0.4
338.08698	0.4
341.10822	0.4
401.11050	3.3
401.20605	0.5
402.11139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
59.95898	1.0
61.98827	1.5
71.41599	1.7
88.29108	1.1
101.03522	1.1
141.09230	4.3
155.99675	1.1
167.14490	2.5
169.16086	1.3
195.13928	5.2
200.99843	1.2
213.15005	6.5
219.50720	1.3
237.14919	6.0
239.16580	3.3
255.16002	82.0
256.16284	6.6
257.17569	100.0
258.18039	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	399.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85026	0.5
59.01378	100.0
60.01710	1.0
61.98827	4.6
62.02972	0.4
65.09772	0.5
66.35106	0.5
69.99831	2.0
71.01385	1.3
72.99312	0.5
73.02954	1.1
75.00405	0.5
81.53506	0.6
85.02991	0.5
89.02439	1.2
93.03474	1.4
97.06699	0.5
98.20553	0.7
101.02435	0.6
102.98614	0.5
103.00385	0.6
106.93206	0.6
106.93966	0.6
115.75812	0.5
125.09756	0.9
134.87425	0.5
137.02461	1.8
151.00420	0.6
159.58730	0.5
171.10292	1.2
184.48721	0.5
201.11287	5.9
225.68036	0.6
232.85429	0.4
337.24152	0.7
339.25348	0.8
381.22983	1.8
399.15872	0.6
399.23645	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	399.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.4
57.03451	4.6
58.00602	3.0
59.01378	65.5
59.48833	0.6
61.98835	2.7
68.99810	0.8
69.03463	1.3
69.72962	3.5
71.01382	100.0
71.99081	0.5
72.01728	1.0
72.99310	4.5
73.02946	22.3
74.02470	2.7
75.00884	0.7
83.01384	10.5
85.02947	37.4
86.00071	3.0
87.00881	5.7
87.04513	2.0
89.02444	44.0
95.01387	6.5
97.02948	1.8
97.06613	0.6
99.00876	9.2
100.08212	0.6
101.02441	62.3
101.06093	0.8
102.02782	0.9
112.01772	0.9
113.02448	38.7
114.02793	1.1
119.03498	21.1
125.02443	2.0
129.01888	1.1
131.03508	2.3
136.07637	3.2
137.02420	4.9
143.03500	6.1
149.04547	1.7
149.13332	4.0
159.02980	7.7
159.06621	12.9
161.04552	37.7
162.04921	1.3
171.10248	0.8
179.05597	4.6
205.03546	1.5
225.14909	0.8
249.09802	3.4
250.07182	1.6
289.13651	0.5
341.23361	1.8
370.25885	0.8
399.19171	4.0
399.23883	4.4
400.19388	0.7
400.27356	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	399.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79746	0.6
54.82402	0.5
55.01882	3.6
57.03447	0.8
58.56447	0.5
59.01377	14.2
60.14468	0.5
61.83595	0.5
61.98830	1.2
69.50335	0.5
69.56389	3.3
71.01377	4.4
71.20996	0.6
72.99338	0.6
73.02937	1.2
75.00850	1.3
75.63016	0.5
78.57614	0.5
83.01399	1.5
85.02953	1.4
87.00854	0.6
89.02448	0.9
99.04486	0.7
101.02430	0.7
103.00372	100.0
104.00706	1.7
108.02179	1.3
113.02464	1.3
113.33082	0.5
121.06567	0.6
135.08098	0.7
135.11812	2.2
145.02969	0.6
151.07784	0.5
152.01125	1.1
154.99860	15.9
159.08157	0.9
159.11804	1.1
161.09683	2.7
175.02489	1.1
177.12878	0.8
179.10767	13.2
180.11142	0.9
205.08714	1.0
221.11877	1.2
223.09720	7.8
224.10056	1.0
227.03314	0.6
243.12390	1.3
265.10815	3.8
284.03082	0.7
295.12033	1.2
296.56351	1.2
355.14093	0.6
372.19498	0.6
393.03839	0.5
399.12836	10.0
400.13342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99446	0.5
55.01902	0.7
59.01379	21.0
61.98846	3.0
69.21503	3.7
69.21914	1.3
71.01382	10.1
72.99317	1.6
75.00864	1.2
83.01394	1.0
83.05008	0.6
85.02955	1.7
89.02449	5.1
95.05014	0.6
98.19930	1.2
101.02454	1.1
103.00374	100.0
103.96027	0.6
104.00727	2.9
109.06579	0.7
111.04556	0.7
113.02435	2.7
121.10137	0.7
131.03558	0.8
133.10194	0.8
135.04547	0.8
135.11792	2.9
149.09773	1.0
154.99875	2.1
159.08174	1.3
159.11861	1.2
161.09711	4.9
175.02402	0.7
175.11296	0.8
177.12811	0.6
179.10779	22.3
180.11166	0.8
190.05127	0.6
193.12335	0.7
203.10783	7.5
204.11089	0.8
219.06708	1.1
221.11871	2.6
223.09761	14.5
223.42384	0.5
224.10080	1.8
265.10883	1.9
295.11853	3.1
355.14026	1.5
399.12701	7.3
400.13263	0.7
402.20221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1294
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
56.50499	1.1
57.03445	5.1
59.01379	28.3
61.98839	9.5
67.67275	1.1
68.99802	1.3
69.03452	1.2
69.96484	4.1
69.96909	2.9
71.01010	2.2
71.01382	33.5
71.37256	1.2
72.99301	2.8
75.00874	27.1
75.01506	1.4
76.29112	1.3
83.01391	2.3
85.02949	6.2
87.00871	8.2
89.02438	3.3
93.03461	55.7
95.01350	3.5
97.02955	2.2
99.00877	11.8
103.00373	100.0
104.00718	2.7
105.00793	2.3
108.02163	4.0
111.00893	2.4
127.35242	1.2
129.01958	19.4
131.03450	3.5
136.01651	14.0
137.02490	6.2
140.77245	1.3
141.01964	1.7
149.02431	5.8
150.03127	2.4
159.02956	3.9
164.21017	1.1
175.02457	1.4
177.02539	1.8
177.04037	29.0
177.09193	2.4
179.03372	1.2
195.05107	2.6
221.06117	2.0
221.08179	31.1
221.11664	2.8
222.08488	2.8
223.09747	26.7
237.11188	3.7
265.10815	1.9
399.12817	57.6
400.13052	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	397.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98830	3.4
69.38618	6.0
71.01389	1.4
79.21362	0.7
83.01401	0.7
85.02983	0.9
103.00386	3.6
109.61803	0.8
131.05061	0.7
137.32654	0.8
156.76306	0.7
168.97314	0.7
193.28224	0.7
331.10461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.6
61.98827	13.6
63.35071	1.1
69.03444	5.2
70.92726	2.1
71.01376	11.5
73.02948	18.6
75.00874	7.0
83.01388	5.3
85.02956	4.3
88.04056	1.3
89.02445	100.0
90.02785	2.1
95.01394	2.1
101.02442	18.6
103.04011	4.3
108.04567	2.1
113.02449	32.6
114.02757	1.2
119.03497	6.1
125.02452	2.4
128.03539	4.6
131.03494	15.6
135.04497	2.6
141.06706	1.2
143.03474	5.1
149.04630	1.4
161.04547	19.2
162.04813	1.1
176.05746	2.7
179.05589	3.8
191.05591	3.2
236.05602	1.6
237.08891	1.1
248.91985	1.3
251.07687	2.9
266.08771	1.2
275.98422	1.1
389.64923	1.4
398.10785	1.8
399.19009	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.7
58.39621	0.6
59.01380	100.0
60.01713	1.3
61.98838	3.2
71.01386	1.4
71.52233	0.6
73.02972	0.7
85.02938	0.7
89.02439	0.7
102.98582	0.6
103.00397	2.6
113.02501	0.9
153.30708	0.6
178.25308	0.5
195.81978	0.5
231.82076	0.5
262.61472	0.6
404.47861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.8
59.01381	100.0
61.98837	6.6
69.03455	4.7
69.17827	9.2
71.01383	49.3
71.01786	1.8
72.73895	1.1
73.02952	6.3
74.54306	1.0
76.42238	1.1
83.01375	2.4
85.02953	9.6
86.00049	1.3
87.00880	5.6
88.98789	4.8
89.02444	5.7
95.01386	1.8
99.00890	2.1
99.04523	1.9
101.02453	14.6
109.06580	1.7
113.02466	8.6
114.05609	1.2
115.03976	2.1
117.03475	5.0
119.05030	35.0
120.05347	1.7
124.36397	1.1
142.14163	1.2
143.07051	1.2
145.02953	39.4
146.03302	2.4
147.08159	2.9
149.09729	6.1
161.04597	13.7
161.06009	1.6
161.08191	36.6
161.09554	2.6
163.04018	54.3
163.11234	3.3
164.04337	1.8
173.09683	3.2
175.07645	1.6
187.03932	1.5
187.09743	4.1
191.10779	72.3
192.11131	4.8
205.04997	1.9
215.09128	6.4
215.10931	1.4
233.11734	2.4
235.06120	23.0
235.09662	2.2
236.06482	2.4
277.12894	18.3
305.12408	16.4
306.12701	1.8
325.09277	13.7
337.15076	2.1
397.11148	3.0
397.15506	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	397.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43542	0.8
57.03419	1.0
59.01380	63.6
60.99297	3.5
61.98828	8.3
69.03464	7.0
69.60601	4.8
71.01379	25.4
72.99279	1.1
73.02942	4.5
74.02486	1.0
76.37674	0.9
78.00744	0.8
81.75269	0.8
83.01380	3.2
85.02956	7.8
87.00862	3.4
88.98280	1.3
88.98809	22.2
89.02452	4.6
89.84769	0.8
93.93121	0.9
95.01379	1.6
99.00889	1.9
99.04493	1.3
101.02449	9.6
107.05024	1.1
108.15894	1.1
109.06580	2.4
113.02441	6.9
117.03441	1.6
119.03517	0.9
119.05038	11.9
125.02454	1.1
128.13438	0.9
133.06552	1.5
134.93370	0.9
143.07132	2.1
144.83226	0.9
145.01913	1.2
145.02960	17.5
147.08147	3.0
149.09692	10.1
159.04453	0.9
161.04543	8.8
161.05963	1.8
161.08202	16.7
161.09546	1.7
163.04015	9.7
163.11261	2.8
173.09673	5.7
175.07639	1.3
177.94518	0.9
187.03998	1.0
187.09843	4.6
187.11208	1.2
191.10780	100.0
192.11110	5.3
199.07613	1.6
215.09161	3.1
215.10774	3.6
233.11780	3.5
235.09769	2.0
277.12906	18.2
278.13123	1.8
305.12482	5.2
325.09253	6.8
373.47855	1.0
397.15445	4.5
397.24319	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	397.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94392	0.3
56.75815	0.4
57.82808	0.4
59.01380	8.9
61.98829	6.9
69.03448	6.4
71.01380	3.9
73.02960	0.4
73.81837	0.4
79.98877	0.4
81.03490	0.4
85.02934	0.9
88.98801	1.6
89.02458	1.4
101.02447	1.8
109.06591	1.6
113.02434	1.4
117.03439	1.9
119.05027	30.9
120.05368	0.7
133.06610	1.4
141.95341	0.4
145.02954	11.5
146.03256	0.4
147.08148	3.6
149.09723	9.6
150.10136	0.6
157.06573	0.9
157.51234	0.4
161.04591	1.0
161.06091	0.9
161.08208	1.6
161.09654	0.5
163.04010	46.8
163.11226	3.1
164.04355	2.4
164.07156	0.4
164.11642	0.5
173.09712	5.0
175.07666	1.8
187.04051	0.6
189.09341	0.5
191.10782	100.0
192.11133	7.0
199.07735	0.8
204.11545	0.5
205.05022	0.6
215.10809	2.7
219.10275	0.6
233.11824	1.8
235.06119	23.5
235.09575	2.5
236.06493	1.4
277.07092	0.7
277.12964	1.4
305.12384	1.0
325.09177	1.2
345.18350	0.5
397.11111	1.0
397.15341	5.3
398.15176	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47226	0.3
53.39895	0.3
53.49520	0.3
57.03426	0.6
59.01383	2.3
61.98830	2.1
69.03455	6.5
69.24558	2.5
69.24966	0.6
71.01393	0.7
72.99284	0.3
83.09658	0.3
85.02933	0.4
89.02472	0.7
96.33765	0.3
96.49333	0.3
101.02441	1.0
102.19505	0.3
107.05013	0.5
109.06606	2.8
113.02493	0.5
121.06571	0.5
130.34503	0.3
133.06593	0.9
137.09679	0.5
147.08156	3.6
149.06079	0.3
149.09721	11.3
150.10025	0.7
157.06592	1.3
161.06087	0.4
163.11281	3.3
171.74989	0.3
173.09714	4.8
174.10066	0.4
175.07594	1.6
189.09282	0.4
191.10776	100.0
192.11116	6.0
199.07668	0.7
200.08339	0.3
215.10750	3.1
229.12178	0.4
233.11792	1.9
235.09763	2.2
376.66095	0.3
397.15002	6.1
398.15512	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.9
61.98830	9.2
69.03458	7.1
69.04543	0.4
70.89328	1.0
71.01376	2.2
78.99222	0.4
80.56329	0.4
85.02937	0.6
88.98831	2.0
89.02435	1.8
93.03461	0.4
101.02460	1.0
109.06596	2.1
113.02429	1.0
117.03466	1.8
119.05026	36.0
120.05357	1.3
131.08690	0.5
133.06660	0.9
145.02951	12.8
147.08163	4.5
149.09703	9.9
150.10004	0.7
157.06604	1.2
161.06065	0.5
161.08220	1.3
163.04007	47.3
163.11281	3.1
164.04352	2.3
164.07149	0.5
164.11661	0.4
173.09697	5.8
175.07611	2.1
187.04015	0.6
191.10771	100.0
192.11111	6.5
199.07623	0.6
205.05099	0.8
205.12346	0.5
215.10796	2.8
233.11824	1.6
235.06105	24.3
235.09833	1.7
236.06494	1.5
277.07291	0.6
277.13159	0.5
325.09235	1.1
397.11087	1.1
397.15283	5.3
398.15106	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	397.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	0.7
59.01382	13.8
61.98837	3.8
69.43181	4.1
71.01380	4.9
72.99300	0.9
75.00881	1.1
83.01362	0.7
85.02951	0.8
89.02446	2.2
93.03465	11.1
95.01387	1.8
101.11690	0.6
102.01223	0.5
103.00374	100.0
104.00725	1.6
108.02176	2.4
113.02518	0.8
127.78571	0.5
129.01877	0.9
136.01671	8.1
137.02449	3.7
149.02429	4.8
154.99904	0.9
159.08154	0.6
167.52885	0.6
175.02467	1.0
175.11293	1.6
175.31339	0.6
177.04031	0.9
177.09247	1.4
179.03496	1.3
209.04549	1.5
212.87357	0.5
217.12386	1.0
219.10228	1.9
221.08194	13.4
221.11688	4.9
222.08574	1.0
235.09738	2.3
235.13457	0.8
257.57968	0.6
260.03189	0.6
263.09164	1.0
263.12891	1.2
285.04068	1.9
290.55991	0.7
296.06149	0.9
302.65097	0.6
325.57700	0.5
397.10364	3.0
397.15741	2.9
405.77408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75676	10.4
59.01368	43.4
61.98833	51.0
71.01371	23.0
71.51768	14.9
75.14806	11.3
83.01369	33.4
94.02988	91.3
99.92577	15.6
101.02429	22.5
101.08633	9.5
103.00361	46.0
113.64297	10.4
115.92069	31.2
116.92879	14.9
119.05048	19.0
123.88306	9.4
145.02965	15.2
145.79172	10.3
163.03990	12.6
193.06876	9.7
245.06552	23.3
248.00934	11.4
396.10446	100.0
397.10992	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01381	3.3
61.98829	11.7
69.03452	6.3
71.01378	1.6
73.02945	0.4
76.54957	0.4
85.02944	0.6
87.00835	0.4
88.98784	1.9
89.02445	1.5
95.01380	0.4
98.19894	1.2
101.02437	1.2
109.06567	2.6
113.02454	1.0
114.05564	0.6
117.03458	1.5
119.05024	26.6
120.05356	1.5
121.06573	1.0
133.06592	1.1
145.02956	9.7
146.03360	0.4
147.08162	4.7
149.09714	10.3
157.06583	1.4
159.04562	0.5
160.08722	0.4
161.04707	0.6
161.06039	0.8
161.09709	0.5
163.04010	39.8
163.11296	3.4
164.04375	2.0
164.07159	0.5
173.09717	5.4
175.07616	1.8
175.11290	0.5
187.04010	0.5
191.10777	100.0
192.11133	6.2
197.53563	0.4
199.07635	1.0
205.05159	0.8
205.12366	0.7
206.62260	0.5
215.10808	3.3
233.11855	2.0
235.06119	18.8
235.09773	1.7
236.06447	1.4
277.07013	0.5
325.09171	0.7
397.11053	0.7
397.15210	6.1
397.24347	0.6
398.15240	0.7
405.78891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	49.5
61.98823	100.0
71.01404	12.4
71.12295	17.9
71.59636	8.6
74.72440	9.3
75.00864	11.9
78.95898	21.6
111.97264	7.4
115.00381	10.0
115.80912	8.1
117.04645	8.5
128.03513	11.1
135.02965	21.4
175.02502	17.5
239.12895	13.6
275.10175	10.3
277.11859	13.4
284.03268	15.9
285.03958	28.6
288.97525	10.8
395.14880	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	396.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08075	0.3
53.28795	0.3
58.00562	0.3
59.01382	2.6
61.98835	2.1
64.01923	0.6
69.85174	0.3
70.00730	0.3
70.04353	0.6
70.04771	0.7
71.01382	2.2
83.01396	0.5
85.02991	0.3
89.02441	1.6
93.86014	0.3
94.02973	2.9
96.80246	0.3
96.96009	2.1
98.00714	1.0
101.02436	0.5
104.06435	0.3
110.00716	3.2
112.98556	0.3
113.02446	0.5
116.07410	0.3
119.03500	0.5
120.99654	100.0
122.00064	1.6
128.01761	4.5
130.08742	0.4
140.24596	0.3
142.87607	0.3
161.04539	0.5
165.15601	0.3
171.88881	0.3
179.05617	0.4
198.02313	0.9
216.03348	0.7
276.11877	0.3
300.07135	0.3
358.11218	0.3
396.09689	16.7
397.10117	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	395.1126
Annotation	Cilinaphthalide A
Peak:m/z	Relative Intensity
56.32171	0.4
59.01381	4.9
60.68134	0.3
61.98829	7.8
64.01922	0.3
64.85599	0.3
71.01377	3.2
71.49715	0.5
85.02928	0.4
87.00896	0.6
89.02443	4.1
94.02979	2.4
96.96011	6.9
96.96970	0.8
98.00732	0.5
98.95530	0.4
101.02436	1.2
103.00410	0.3
110.00692	2.3
110.07262	0.3
113.02437	1.0
119.03501	1.2
120.01252	100.0
120.99656	6.8
121.01572	1.4
128.01746	3.2
128.03534	0.5
130.08751	3.0
134.04712	0.4
134.08459	0.3
141.78944	0.3
179.05627	1.5
180.94099	0.7
221.91426	0.3
351.04596	0.4
395.11191	10.6
395.19986	0.4
396.11343	1.2
399.46976	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38675	0.6
59.01375	2.1
61.98829	100.0
70.28502	2.1
71.01364	0.7
96.71050	0.5
97.45847	0.6
100.02102	0.5
100.45312	0.5
113.90366	0.6
126.66131	0.5
131.21342	0.5
141.13506	0.6
190.94913	0.6
206.45682	0.6
211.07603	0.9
410.37021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70322	0.4
58.35960	0.4
59.01362	1.0
61.98829	100.0
69.75944	2.6
114.97704	0.5
161.43799	0.5
282.08456	0.5
296.10037	0.8
394.18097	2.3
395.19452	0.7
395.71317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79551	0.8
59.01368	4.2
61.98830	100.0
66.72406	0.9
68.18674	0.8
69.50841	5.6
71.01385	1.3
72.18828	0.7
89.02379	1.1
96.90640	0.7
103.00368	6.8
168.73309	0.8
186.46330	0.8
199.76611	0.8
210.06790	1.7
211.07632	13.4
212.07990	1.6
373.89792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.9
59.01376	6.8
61.98830	24.3
63.80556	1.5
66.98599	1.6
67.01878	1.8
70.03324	5.8
71.01382	13.4
72.99340	1.9
73.02966	4.6
78.95926	2.8
82.02982	2.0
83.01389	22.7
85.02953	3.5
87.00871	3.9
89.02447	4.0
92.11446	1.6
94.02985	100.0
94.92528	1.9
95.03335	2.4
96.07338	1.5
96.96033	2.9
96.96972	4.7
97.02986	2.1
98.02470	3.2
99.00879	3.4
101.02435	12.2
103.00387	2.4
108.90192	14.1
109.02893	3.4
110.02476	7.0
110.89899	13.7
111.00897	3.5
111.04493	1.8
113.02442	4.6
120.01250	32.4
122.06173	1.7
123.04536	1.6
125.02410	4.0
128.03506	2.3
133.05069	4.8
137.06039	1.8
139.82521	1.6
144.86937	4.1
148.04065	3.0
149.04532	3.9
149.06244	1.6
152.95906	2.6
153.01932	4.8
159.02863	1.7
159.08185	2.3
161.04529	11.5
169.01431	6.7
170.89308	2.3
170.97029	2.9
171.88875	7.3
173.10345	2.0
190.08751	3.6
202.08728	3.2
204.06711	1.8
220.09766	2.2
234.07658	3.3
244.90253	3.7
245.06599	18.6
246.07359	2.2
246.89894	2.1
256.08273	7.3
264.08740	4.0
277.08215	2.1
294.09851	3.5
308.07736	3.4
328.10211	11.1
331.06934	2.4
340.10410	7.4
356.09760	7.6
358.11502	14.9
394.10526	4.4
395.10367	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	393.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	24.9
69.37719	100.0
70.71320	15.7
72.84771	15.2
84.48383	14.3
85.57452	13.9
89.75954	14.0
89.86879	12.9
110.51855	13.4
116.92863	18.6
123.25926	15.2
184.89943	15.7
197.69946	14.8
241.27550	17.9
369.65604	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	394.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54920	1.4
56.72814	1.2
57.03437	6.2
59.01373	4.1
60.26032	1.4
61.98829	2.0
67.01891	3.1
68.38573	1.3
70.00478	5.4
71.01386	7.9
73.02946	2.7
82.02968	1.6
83.01394	20.2
83.46192	1.4
85.02941	2.4
94.02984	100.0
95.03307	2.7
101.02446	9.9
113.02462	5.5
119.05054	2.4
120.36768	1.3
161.04564	11.7
236.36713	1.4
243.78214	1.5
245.06682	23.9
256.08301	6.7
310.07077	3.4
321.48724	1.4
328.10294	11.6
340.10422	7.4
358.11432	10.2
359.11987	2.1
378.31085	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98467	2.8
59.01381	34.5
61.98820	10.3
70.78101	7.5
74.63857	3.1
85.78363	3.2
99.08183	3.0
99.92581	7.8
113.09775	4.8
116.51628	2.9
129.09193	4.3
147.11810	6.4
165.12839	6.2
169.12286	4.2
170.75478	2.8
180.47194	3.1
181.12437	4.6
197.11777	14.2
199.13370	4.8
211.13385	16.7
215.10530	9.7
233.11588	100.0
234.11723	6.3
252.66699	3.3
273.45319	2.9
288.40683	3.1
293.12372	5.8
293.21249	8.4
311.22266	92.1
312.22485	10.4
333.20340	6.1
345.23151	2.8
393.22537	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	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43017	0.4
59.01378	100.0
60.01705	1.2
61.27879	0.3
61.98824	0.9
70.15494	1.1
93.29807	0.3
94.91862	0.4
105.20244	0.4
108.04581	0.4
132.04567	2.3
136.07680	4.9
208.23294	0.4
281.13010	1.3
325.11795	2.4
357.14572	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	393.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.8
59.01379	100.0
60.01712	1.6
61.98834	3.7
71.01382	5.4
73.02966	2.0
83.01438	1.4
85.02974	2.1
85.04289	0.6
87.00886	0.6
88.98807	4.5
91.62133	0.5
91.72386	0.6
96.35321	0.7
99.00902	0.7
99.04512	1.4
101.02448	5.8
113.02477	2.0
125.02415	0.6
135.48943	0.6
161.04555	2.9
181.42732	0.6
243.16133	0.9
244.16441	2.0
286.17517	1.4
333.19196	16.1
334.19626	2.3
350.05811	0.6
358.15234	1.0
363.18509	0.8
393.20273	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66036	0.5
59.01383	1.7
61.98831	100.0
70.83492	0.5
70.83865	1.6
77.39915	0.5
78.95901	0.8
124.25871	0.6
183.01115	0.5
208.13475	0.5
241.37100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.8
59.01379	100.0
60.01712	1.6
61.98834	3.7
71.01382	5.4
73.02966	2.0
83.01438	1.4
85.02974	2.1
85.04289	0.6
87.00886	0.6
88.98807	4.5
91.62133	0.5
91.72386	0.6
96.35321	0.7
99.00902	0.7
99.04512	1.4
101.02448	5.8
113.02477	2.0
125.02415	0.6
135.48943	0.6
161.04555	2.9
181.42732	0.6
243.16133	0.9
244.16441	2.0
286.17517	1.4
333.19196	16.1
334.19626	2.3
350.05811	0.6
358.15234	1.0
363.18509	0.8
393.20273	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04315	0.6
57.43027	0.5
61.32395	0.9
61.98829	100.0
70.67767	0.7
71.29106	1.0
99.89392	0.6
111.99523	0.6
131.88817	0.6
160.99588	0.6
162.06047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23539	0.9
57.93082	0.8
59.01373	6.0
60.43605	0.8
61.98829	100.0
69.21542	7.2
75.87877	0.9
78.95905	4.7
96.96021	0.9
98.17246	0.9
105.51771	0.9
112.87159	0.8
137.09709	5.7
140.01440	0.9
143.41710	0.9
175.75961	0.9
196.29710	1.0
208.87190	0.8
212.08415	0.9
221.11757	1.5
239.12901	16.6
255.08795	2.6
334.19040	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
60.01722	0.5
61.98829	100.0
69.54940	2.0
69.55341	1.1
94.88408	0.5
98.19784	0.5
99.92609	1.6
100.92589	0.6
116.92868	0.8
168.21500	0.4
196.27768	0.5
208.13943	0.4
209.11804	0.7
209.83804	0.5
210.30754	0.5
237.07570	0.4
307.57587	0.5
392.12250	1.1
392.17029	3.8
409.88504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67355	2.0
59.01363	7.9
61.98829	100.0
62.50131	1.9
70.57665	4.6
74.39938	2.4
78.95875	2.3
106.71225	2.3
143.05029	2.2
197.48016	2.0
225.67969	2.1
253.94331	2.4
414.49353	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	392.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35030	0.5
54.54371	0.5
54.61290	0.5
55.01863	1.7
57.03470	1.3
58.00591	2.6
59.01378	68.8
59.17372	0.6
60.14748	0.6
61.98832	1.9
68.60283	0.6
69.03458	4.9
71.01380	79.9
71.51768	1.0
72.01729	1.6
72.99305	3.2
73.02943	21.1
75.00866	3.3
79.01900	1.0
81.03467	2.5
83.01372	4.6
85.02948	13.9
87.00883	1.9
89.02441	100.0
90.02784	2.1
95.01395	3.0
95.48334	0.6
96.95979	1.1
97.02947	7.9
99.00881	26.5
99.04528	2.0
101.02437	32.0
102.02805	0.9
103.00382	1.5
107.01424	0.7
109.02979	0.6
111.00862	1.1
113.02443	15.4
115.03999	5.8
117.01917	0.6
119.03500	3.2
125.02444	29.4
126.02748	0.7
127.04057	1.2
128.03529	1.6
131.03490	15.5
142.33534	0.6
143.03503	5.0
149.04549	42.4
150.04851	1.7
159.02975	1.8
161.04552	23.0
173.04552	0.6
188.05621	4.5
191.05592	13.4
191.07181	1.0
215.09242	0.9
219.47157	0.6
221.06589	2.1
226.32404	0.7
233.06659	22.1
234.06990	1.1
247.61548	0.6
251.07707	2.8
255.38513	0.7
293.08768	45.8
294.09039	3.6
299.85696	0.7
392.15561	31.7
393.16153	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	392.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03447	0.6
58.00600	1.9
59.01379	70.6
60.01720	0.9
61.98835	0.9
66.64983	0.5
69.03454	0.6
70.69960	1.7
71.01381	45.7
72.01711	0.7
72.99316	2.2
73.02946	18.5
83.01401	0.8
85.02933	5.4
87.00863	0.7
89.02444	100.0
90.02784	1.5
95.01430	0.7
97.02953	1.0
99.00881	28.1
101.02444	34.5
102.02753	0.8
102.47063	0.5
113.01804	0.7
113.02470	6.0
115.04019	0.6
119.03488	2.3
125.02439	4.2
131.03502	16.9
143.03513	2.9
149.04562	65.6
150.04883	2.4
161.04532	2.6
188.30087	0.6
191.04030	0.9
191.05611	14.8
192.05890	0.7
221.06685	3.2
251.07652	3.2
293.08679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25442	1.7
57.02560	1.6
59.01378	100.0
61.98826	5.2
71.01370	5.7
71.51012	1.8
71.51412	3.0
72.55426	1.5
73.02945	2.5
81.64408	1.5
85.02935	1.9
88.71915	1.6
88.98789	2.0
89.02402	1.8
91.67059	1.7
97.67287	1.5
100.89840	1.6
101.02448	5.4
113.02483	1.9
117.71580	1.5
122.82869	2.1
161.04626	3.3
163.85942	1.5
197.15475	5.7
225.15067	7.6
243.15985	51.0
244.12585	3.0
244.16354	2.7
255.08864	1.8
285.17047	24.2
286.17279	1.9
303.26175	1.5
333.19110	14.7
392.16534	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	392.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.0
58.02969	1.9
59.01379	100.0
60.01694	1.9
61.98830	18.2
68.99810	2.5
69.03461	6.9
70.24728	3.3
70.25120	4.4
71.01382	45.8
71.01778	2.3
72.99305	9.6
73.02951	39.2
73.03362	3.0
74.02466	2.1
75.00874	4.4
80.62278	1.8
81.03454	5.9
83.01387	12.8
84.02171	2.5
85.02940	17.2
85.06573	2.7
86.06951	2.0
87.00874	7.2
87.04530	5.1
87.40211	1.9
88.98804	1.9
89.02441	21.4
96.48529	1.9
96.96013	4.5
97.02959	6.7
98.31679	1.5
99.00860	12.3
99.04526	2.1
99.05680	2.3
99.92586	2.1
101.02441	60.9
101.03117	3.4
103.00351	4.0
109.02989	2.3
111.04594	2.1
113.02445	15.6
115.04030	3.3
119.03493	3.6
121.76716	1.8
125.02426	11.6
128.03548	5.1
131.03487	4.5
131.07130	16.5
133.01376	4.3
137.02496	2.5
143.03500	14.7
143.04643	6.1
149.04546	13.5
161.04543	15.6
167.03427	2.1
205.53520	1.7
221.06641	3.1
231.08798	4.0
238.72185	2.7
242.06895	1.7
272.08734	3.2
293.09024	2.5
308.07440	3.7
347.83893	1.7
392.15317	5.1
393.13962	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	392.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	17.1
60.37767	2.8
61.98831	100.0
69.87361	14.6
70.02969	3.4
71.01367	10.9
73.02939	19.7
83.01363	6.0
83.05022	3.8
86.20429	3.2
89.02432	9.2
96.00914	4.8
96.96009	14.2
97.02937	7.9
98.02478	39.5
98.20558	4.7
99.00873	4.9
101.02473	8.9
106.04103	3.6
107.05035	5.9
107.89639	3.3
108.90191	24.7
110.01775	6.0
110.02469	58.4
111.04507	4.8
113.02421	5.0
117.01933	33.8
117.61237	3.0
121.06610	3.6
122.03747	4.1
123.04523	10.7
126.01957	16.1
127.68974	3.1
130.08685	4.5
134.06116	8.2
135.04492	5.8
135.08200	5.1
137.06075	3.8
138.05606	5.9
147.08151	14.3
149.04518	6.1
149.06149	3.4
150.04202	7.7
150.05602	11.5
153.05554	4.5
158.06071	5.9
159.08112	20.6
160.07674	6.6
162.05612	14.3
165.09178	5.1
171.08122	4.3
172.07677	17.9
174.05508	4.3
174.09245	5.3
177.09111	5.0
180.06714	4.3
183.05313	5.5
184.07712	14.4
189.09175	3.4
190.08701	30.4
191.07100	4.6
194.04552	6.3
199.06262	3.8
200.07356	3.3
202.08717	34.4
203.07162	6.1
204.06671	9.1
208.09828	5.4
214.08740	7.0
216.06604	6.8
217.96138	4.8
220.09772	20.4
221.08220	6.9
222.07758	5.7
223.96521	10.8
232.09764	13.4
234.07718	36.5
246.07686	27.8
247.08192	3.6
252.08752	11.5
258.07581	5.0
264.08728	50.6
276.08624	16.9
278.06647	9.8
282.09717	12.8
290.06812	8.1
290.89063	4.7
294.09756	22.4
308.07697	57.2
309.08017	5.1
312.10876	14.1
320.07825	5.8
338.08630	8.5
356.09866	77.9
357.10208	5.9
391.98349	8.8
392.07239	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.2
59.01383	24.6
61.98820	5.5
69.14240	3.9
69.14650	11.5
71.11804	1.4
78.95912	2.6
80.91682	2.2
83.05034	1.8
95.60096	1.6
96.45020	1.5
98.19865	2.8
99.92564	4.5
111.08160	17.2
112.75871	1.4
116.92871	2.7
119.08675	1.4
147.11783	4.4
149.20485	1.5
151.11247	1.6
165.12820	4.7
169.12366	5.2
171.10228	3.1
195.57550	1.3
197.11823	57.4
197.30960	1.4
198.12082	3.9
211.13347	3.6
215.10527	8.5
219.09956	3.5
233.11572	100.0
234.11906	7.0
251.11375	3.7
291.19626	9.2
292.20120	2.0
293.12378	5.2
294.12323	1.6
309.20694	45.0
309.24249	3.1
310.21106	4.0
313.17941	4.3
324.93710	1.6
331.18878	8.7
346.05585	2.9
355.56830	1.6
391.21027	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98816	15.3
70.35702	21.7
98.15547	6.4
150.43025	5.7
152.00684	5.6
164.60164	5.7
164.88072	5.9
223.71797	6.0
255.23251	7.5
298.09296	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28677	2.6
59.01379	44.4
61.98819	10.1
66.72938	2.8
70.66079	9.4
80.91710	4.0
99.92602	10.8
111.08155	44.2
115.92084	5.8
116.92876	5.3
139.11192	3.7
151.11333	5.6
153.12756	4.9
164.85500	3.2
169.12300	9.3
197.11821	100.0
198.12206	8.3
211.13385	12.9
215.10507	3.6
219.10007	89.6
220.10252	5.0
228.42053	3.2
232.97762	3.6
233.11594	52.4
249.13362	6.3
255.08994	6.1
287.16431	3.9
291.19708	16.1
291.22772	2.8
293.12537	10.1
300.01450	3.5
301.60052	3.2
305.04578	4.4
309.17200	6.6
309.20679	92.7
310.20932	7.8
323.05789	7.5
331.18808	37.4
332.19321	5.6
375.17899	4.7
391.20535	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67300	0.9
55.01881	5.6
55.71234	0.9
56.75029	0.8
57.03431	2.8
58.00583	1.1
59.01379	72.4
61.98822	2.6
69.34637	3.7
69.35065	3.1
71.01383	15.9
72.99309	1.0
73.02952	6.8
75.00864	2.7
83.01376	3.6
85.02953	8.6
85.06617	0.8
89.02456	10.2
95.01387	1.1
98.02487	1.1
98.20673	2.0
99.00858	1.8
101.02444	18.6
113.02480	5.4
119.03503	2.3
119.89200	0.8
129.01965	1.5
137.09676	1.0
139.10226	1.3
139.11285	22.1
140.11632	2.0
147.03023	6.7
155.10818	8.3
161.04559	2.0
163.11324	1.2
164.07140	1.6
165.04062	4.6
179.03560	1.5
181.12335	12.0
183.10255	25.0
184.10518	1.4
186.06810	1.3
187.09618	1.1
199.09732	7.2
199.13301	3.6
211.13336	2.8
225.11356	7.3
229.14392	16.4
230.14908	1.0
243.12357	89.4
244.12785	6.3
245.14778	0.9
277.53152	1.1
331.17444	1.7
357.14587	4.3
373.18787	2.7
374.16953	1.3
391.15787	18.0
391.19687	100.0
392.16190	2.7
392.20444	12.3
393.39294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.8
61.98821	0.3
62.52013	0.2
66.52124	0.2
69.86466	0.8
70.41058	0.2
72.79104	0.2
83.51345	0.2
87.48700	0.2
91.01889	0.3
93.03451	1.0
98.55734	0.2
106.04239	0.7
117.03493	0.4
119.05027	100.0
120.05355	4.2
121.02966	0.4
122.03737	0.2
127.28706	0.2
130.04233	2.9
136.01671	0.4
143.05014	1.8
144.05777	0.8
145.02995	1.0
145.06601	2.8
149.02425	0.3
150.03233	0.4
157.06577	2.5
158.07291	0.4
159.04500	1.7
159.08179	2.5
161.02388	1.0
161.06038	0.3
162.03246	0.5
171.08122	0.6
173.06093	0.6
174.06857	0.4
182.02275	0.2
185.06084	0.2
187.03990	2.2
188.04559	0.2
190.06358	0.8
190.83234	0.2
201.05537	1.3
202.06325	0.7
225.12848	0.2
227.14392	2.5
228.14848	0.2
267.06689	1.3
271.13394	19.0
272.13809	1.7
279.06674	0.4
285.15039	0.3
289.14444	13.5
290.14801	1.0
307.09708	0.3
309.17453	0.3
391.19135	67.8
392.19473	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	391.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.2
56.00264	0.9
57.03436	2.6
59.01379	72.1
61.98847	1.3
63.04547	1.0
71.01383	4.7
73.02935	2.5
74.81843	0.8
75.00874	3.3
85.02941	3.0
89.02444	8.7
96.64718	0.8
101.02449	5.5
103.00361	1.1
113.02435	1.8
115.75357	1.0
119.03489	2.9
129.02013	1.7
139.11292	32.7
140.11613	1.8
147.02959	7.0
155.10765	3.8
165.09207	1.0
179.05602	2.6
181.12350	14.7
183.10254	35.2
184.10596	2.4
199.09764	2.6
199.13383	3.9
225.11311	8.9
243.12367	100.0
244.12689	7.0
331.17596	1.6
353.06976	1.0
373.15067	2.7
391.16043	63.6
392.16406	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	391.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00123	0.9
57.03448	1.2
59.01381	16.5
61.98834	2.3
69.53178	5.6
71.01386	2.6
71.05022	2.0
72.99325	1.0
73.02945	2.1
75.00867	1.9
85.02956	2.6
88.82623	0.9
97.06584	2.8
99.00887	6.7
99.04531	1.6
99.31602	0.8
99.92548	0.8
101.02452	1.6
103.00374	100.0
104.00694	2.0
113.02437	3.1
115.92100	1.0
135.08147	1.9
139.07632	1.0
153.09222	11.8
157.64125	0.9
163.02568	0.9
165.01938	1.3
171.10263	16.4
183.29764	0.9
193.05011	1.1
197.08188	5.4
215.09218	39.2
216.09628	2.1
239.09248	6.2
257.10379	4.8
287.11407	4.1
325.23077	0.9
347.13361	1.9
379.25934	0.9
391.12390	21.6
392.12933	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	391.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	9.1
57.03431	2.5
59.01381	56.7
61.21827	0.9
61.61197	1.2
61.98837	2.0
69.57637	5.1
71.01379	12.5
73.02938	6.6
75.00867	3.8
83.01365	2.4
85.02946	7.2
87.00899	1.5
89.02433	7.2
101.02447	11.2
113.02454	4.3
115.00361	0.9
117.28230	1.5
119.03471	1.9
129.01976	2.3
139.11285	28.1
147.03032	6.8
155.10759	3.9
156.69839	1.0
163.89166	1.0
165.04068	5.4
181.12350	13.0
183.10260	29.8
184.10516	1.4
186.06850	1.4
199.09732	3.3
199.13319	4.8
211.13330	3.2
225.11378	7.8
229.14436	7.8
243.12360	100.0
244.12715	7.6
245.64348	1.1
331.17422	2.3
357.14346	2.4
373.18726	1.9
391.15771	23.9
391.19714	63.4
392.15707	2.2
392.20624	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	390.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14270	1.7
59.01387	8.8
61.98829	100.0
70.93411	3.6
112.26197	1.8
140.94330	1.8
146.03348	2.5
149.20049	1.7
187.52003	1.8
202.99341	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.3
58.93680	0.9
59.01380	54.1
61.98819	2.4
65.73716	1.0
69.33119	8.5
71.01375	5.3
71.30093	0.9
73.02959	5.8
73.48547	1.0
75.00864	1.9
83.01379	1.9
85.02943	4.2
85.19881	1.0
89.02438	1.5
97.06595	1.8
101.02436	4.2
103.00372	100.0
104.00703	1.2
111.08160	3.3
113.02446	4.4
116.82012	1.0
134.03703	5.1
141.05591	2.1
149.06047	2.1
153.09215	10.7
155.07118	2.3
158.94044	1.0
165.01904	1.1
171.10260	10.6
178.02673	3.1
193.05038	13.8
195.05125	3.1
195.10202	1.0
197.08232	2.0
215.09221	60.2
216.09566	4.7
239.09236	4.0
257.10321	8.0
272.31207	1.0
287.11353	8.3
290.70587	1.2
347.13370	3.9
391.12415	20.9
391.17294	1.3
391.23251	2.1
392.12589	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01025	0.8
54.83667	1.0
58.65103	0.9
59.01378	59.0
67.77375	0.8
71.01373	4.9
73.02941	2.8
75.00880	1.2
83.01396	1.3
85.02925	2.5
97.06573	1.3
98.19856	1.9
100.86964	0.9
101.02465	1.1
103.00376	100.0
104.00677	2.1
111.08147	3.9
113.02464	3.9
124.05692	1.0
134.03792	7.1
137.02403	1.5
149.06082	2.6
153.09184	9.1
155.07118	2.0
171.10284	11.7
172.10672	0.9
178.02704	4.8
193.05055	18.0
195.05141	1.2
195.10236	1.8
197.08151	2.7
215.09242	65.0
216.09554	3.4
239.09291	5.8
257.10229	6.1
287.11353	7.5
347.13370	5.3
355.10208	1.2
391.12424	22.6
392.12732	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23172	0.6
61.98832	100.0
62.16693	0.6
69.28230	5.0
156.73326	0.5
158.06697	0.5
273.49567	0.6
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
56.61310	0.9
59.01391	5.6
61.98830	100.0
71.52114	1.1
71.52463	1.0
76.15659	1.0
83.01405	1.5
96.95964	1.2
108.02220	1.6
118.37515	0.9
130.16747	0.9
138.77547	1.0
187.75941	1.0
263.96310	1.2
355.15973	1.0
355.24713	3.0
391.04413	1.1
391.15475	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	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92147	0.6
59.01385	5.0
61.98830	100.0
69.21761	6.9
79.95759	0.7
82.78135	0.7
83.05064	0.8
96.96012	2.3
100.97546	0.6
171.10181	0.7
202.83878	0.7
239.45360	0.8
246.89276	0.8
268.36389	0.7
309.20612	1.2
351.01874	0.8
390.17041	0.9
391.17468	1.0
398.84549	0.8
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
53.45531	0.4
54.00603	0.3
59.01379	5.3
61.98829	100.0
67.69346	0.3
71.01382	2.0
71.51648	0.5
89.02437	0.5
103.00429	0.4
111.50906	0.4
115.00361	0.6
119.05058	0.4
133.02966	1.1
134.03728	2.2
135.04495	0.4
138.98958	0.4
155.05164	0.3
162.03326	0.4
163.04063	0.5
164.07140	0.4
167.40279	0.3
177.01985	0.7
178.12373	0.4
231.10310	1.2
275.09256	4.3
326.11813	0.3
327.21866	1.0
390.20236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.4
61.98830	100.0
69.76230	2.4
78.34190	0.5
85.55118	0.4
88.84018	0.4
95.19124	0.5
160.06595	0.4
297.72470	0.4
327.21811	1.1
338.60812	0.5
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
61.98830	100.0
71.12576	1.4
73.10184	0.6
76.41383	0.6
87.86069	0.6
98.20608	0.6
149.87163	0.6
153.86090	0.6
226.33975	0.5
303.62894	0.6
332.21124	0.6
407.71548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84310	0.4
59.01377	1.4
61.31561	0.3
61.32846	0.4
61.90971	0.4
61.98830	100.0
62.98521	0.4
64.33080	0.3
66.24501	0.4
70.82611	0.7
71.71496	0.4
83.01394	0.6
106.45930	0.4
122.26433	0.4
133.02902	0.5
154.29802	0.4
158.16646	0.3
159.31544	0.3
165.14703	0.4
190.68314	0.5
193.12329	0.9
194.12717	0.7
213.01900	0.4
257.00909	0.4
327.21759	0.7
391.04456	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	390.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	45.4
61.98837	7.8
71.01383	6.1
73.02964	6.0
83.05029	6.6
85.02957	4.3
121.95383	4.2
147.17497	4.7
163.11292	6.8
195.13896	23.3
223.13388	14.0
229.25197	4.2
241.14423	100.0
241.16728	7.2
242.14780	10.4
243.12372	7.7
283.15472	48.2
315.80728	4.1
391.26761	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	390.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
58.00593	2.4
58.02949	0.7
59.01379	66.0
61.98831	4.7
69.03449	4.4
69.99240	2.6
71.01381	66.3
72.01730	1.0
72.99305	4.0
73.02946	12.8
74.02489	3.0
75.00859	2.7
79.01904	0.9
80.05398	0.7
80.29221	0.8
81.03457	2.9
83.01390	4.2
85.02947	7.3
87.00876	2.3
89.02445	100.0
95.01386	2.4
96.04562	1.8
97.02952	8.1
98.19974	1.0
99.00879	21.0
99.04525	1.5
99.05646	2.3
101.02444	23.0
103.00376	1.4
111.00890	2.1
113.02464	8.0
115.04002	6.7
117.37541	1.0
119.03503	2.7
125.02451	34.4
126.02811	1.2
127.04054	1.2
128.03563	5.8
129.05620	3.7
131.03499	13.6
133.35294	0.7
141.06638	0.8
143.03496	2.9
143.04623	7.4
149.04552	35.0
160.00743	1.2
161.04565	3.4
179.04643	1.6
191.05609	10.7
221.06586	1.2
233.06647	25.9
234.07004	1.2
251.07590	1.4
254.07780	2.5
272.08865	3.0
288.06525	1.5
293.08786	25.8
294.09201	1.4
306.07703	10.0
344.15616	0.9
390.08157	1.5
390.13510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25734	29.4
59.01369	85.7
61.98820	100.0
71.07871	74.0
72.51997	34.0
80.98784	33.1
256.85114	34.9
389.26865	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	1.2
61.98818	0.5
69.69016	2.0
84.74765	0.3
98.20604	0.7
106.47128	0.4
159.30815	0.3
187.37933	0.4
200.83789	0.4
204.16428	0.3
329.64703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.24997	1.4
66.23788	1.3
69.67782	2.2
69.68197	4.4
84.76212	1.3
101.82882	1.4
120.30035	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12142	33.4
54.68306	31.2
59.01380	100.0
59.69398	37.1
61.98825	85.8
68.21011	31.0
69.96638	95.4
115.99964	40.1
116.80456	33.6
123.15929	34.7
124.64359	33.1
256.61438	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01698	0.8
61.98830	4.5
69.12868	0.4
70.13921	0.4
70.26548	1.5
71.01391	1.0
73.02961	0.4
85.02939	0.5
99.00925	0.5
101.02390	0.9
103.00394	1.0
120.01249	0.8
125.09734	0.4
129.89644	0.4
135.04587	0.5
156.08957	0.4
164.04866	0.4
165.12891	0.7
166.42561	0.4
183.13919	3.2
215.12947	0.9
227.12837	4.2
285.04208	0.6
287.10486	0.4
301.33820	0.4
331.00424	0.4
371.24625	0.7
389.25339	3.4
393.26190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.7
59.01379	56.2
61.98833	5.5
66.35552	3.5
67.01879	3.5
71.52354	4.0
80.91672	3.4
81.03466	8.1
83.01405	11.3
83.05025	5.4
93.74031	3.0
95.05015	3.5
96.96900	2.8
97.06602	13.1
109.06593	5.7
123.04523	8.9
123.08146	4.6
125.09753	19.5
135.08200	4.4
137.09711	11.9
138.13805	3.1
163.11278	19.9
165.12851	5.7
175.07436	3.7
185.11824	13.5
191.10835	3.7
191.14381	16.7
199.24973	3.1
207.10257	12.1
209.11842	85.9
210.12184	5.7
217.15999	3.7
225.11322	8.9
231.10016	59.8
232.10278	3.8
245.19098	34.8
246.19420	5.5
285.18387	4.5
289.18109	100.0
290.18356	10.5
291.19690	4.9
307.19128	70.8
308.19470	5.6
317.17285	8.8
329.17285	19.7
334.73294	3.6
389.19321	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66032	0.2
55.56435	0.2
58.19759	0.2
59.01375	0.7
61.54939	0.2
61.98830	100.0
69.18185	2.4
79.02477	0.2
90.56583	0.2
100.98880	0.2
105.62988	0.2
114.88663	0.2
209.11847	0.4
307.19318	0.3
325.20258	0.6
342.94925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01720	1.3
61.98831	21.5
63.99255	1.0
65.88242	0.5
69.18894	4.2
71.01383	4.5
71.51944	0.4
72.99320	0.6
73.02941	1.2
78.90285	0.4
85.02956	1.9
88.04028	0.6
89.02466	1.5
97.02963	0.4
97.17604	0.5
101.02450	2.2
103.00387	1.7
106.42788	0.4
113.02436	2.4
120.99723	0.6
121.02988	0.6
122.03761	1.0
124.04002	0.5
125.02513	0.7
128.03548	1.0
134.03726	4.1
143.04610	0.7
149.06111	4.3
152.04791	11.6
152.05962	0.8
155.33000	0.4
159.03091	0.6
161.04579	6.0
161.06094	1.6
165.01900	0.5
167.07144	28.6
168.07512	1.4
204.06717	0.8
229.13350	0.5
241.08765	0.7
254.07884	0.5
293.08893	0.6
299.53033	0.5
306.07767	1.4
345.26730	0.5
347.07639	1.1
389.09525	1.4
390.08307	10.2
390.13278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82333	0.3
54.01018	0.3
59.01383	2.9
61.98830	100.0
63.44938	0.3
68.79408	0.3
69.70250	1.5
69.70631	0.7
78.70638	0.3
86.51371	0.3
103.00433	0.4
128.03558	1.0
144.52362	0.3
152.04778	0.3
167.07115	0.5
197.12868	0.3
241.11983	0.7
388.16943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
60.68353	0.5
61.98830	100.0
68.01914	0.5
69.18863	3.2
69.19283	1.6
70.68374	0.6
77.57608	0.5
82.53210	0.5
85.02979	0.7
99.92602	2.2
101.02490	0.6
103.00413	1.1
106.06000	0.6
115.92069	0.6
116.92881	0.7
345.90567	0.7
388.99692	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	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61131	1.1
56.13219	1.1
59.01375	4.3
61.98829	100.0
63.21676	1.1
64.37681	1.2
71.52271	1.5
79.95741	9.6
96.96003	10.8
153.54509	1.2
168.41797	1.3
193.12321	1.4
286.93500	1.2
389.16281	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	387.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47244	1.0
54.20532	1.2
56.80260	1.4
59.01380	100.0
61.98823	2.6
66.30953	1.1
66.47733	1.1
83.25918	1.7
181.03867	1.2
253.21754	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	387.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69293	0.7
54.22301	0.7
54.91273	0.7
59.01380	100.0
60.01724	1.0
61.98827	1.4
63.12482	0.9
70.24782	1.7
70.62859	0.6
76.64732	0.7
78.89428	0.7
79.69982	0.6
98.20042	0.9
128.27933	1.1
211.86938	0.7
217.51187	0.9
235.20798	1.2
248.35719	0.8
253.21738	9.4
254.22162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58690	78.0
59.01363	82.6
61.98841	83.9
63.65878	68.1
98.19832	100.0
105.45101	60.0
117.49931	69.7
214.28760	77.9
250.22391	64.4
281.55444	60.9
307.28372	68.1
399.67001	65.1
405.13138	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36163	30.8
59.01358	67.3
61.07492	40.3
61.98821	100.0
63.13141	37.4
73.10614	33.5
79.60477	29.6
94.97320	33.6
98.19884	97.5
105.67083	31.7
105.80316	32.8
154.73523	34.0
165.23834	33.6
229.42192	34.4
247.80821	38.1
312.28821	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2542
Annotation	Plakortolide I
Peak:m/z	Relative Intensity
55.01880	12.3
59.01382	5.2
61.51958	0.5
61.98822	1.8
70.69428	1.1
70.69763	0.6
74.38994	0.5
83.05032	6.3
85.02953	36.3
88.92207	0.5
120.85873	0.6
123.08144	2.2
145.02376	0.6
153.29308	0.6
159.04608	0.7
246.57043	0.6
273.22281	0.8
301.21725	15.7
302.22055	1.6
306.65802	0.7
306.69257	0.7
360.80270	0.7
387.25406	100.0
388.25772	13.9
395.12766	0.7
400.23801	0.6
408.15137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11295	0.4
55.01876	7.3
55.39032	0.4
57.03443	6.4
58.00597	3.3
59.01378	69.7
61.98826	7.6
68.99801	0.6
69.03468	1.1
69.44923	2.6
70.50021	0.4
71.01381	100.0
72.01716	1.2
72.99320	3.0
73.02944	32.6
75.00877	1.5
81.03452	0.8
83.01385	14.6
84.02187	0.7
85.02950	44.6
86.03269	0.8
87.00877	8.2
87.04526	0.5
89.02445	33.9
90.02812	0.5
95.01387	7.6
96.96022	2.4
97.02934	2.1
97.06606	0.5
99.00880	11.7
101.02441	83.4
102.02779	2.0
103.00424	0.4
111.00877	1.2
113.02449	41.8
114.02791	1.1
119.03507	10.5
125.02433	2.0
129.01933	2.3
131.03481	1.1
137.02400	0.4
137.09731	2.6
139.11313	0.6
143.03500	6.3
149.04546	0.6
151.11243	2.0
159.02991	10.9
160.03374	0.5
161.04550	57.2
162.04932	2.0
165.12848	1.7
167.14444	1.1
179.05605	3.6
183.10243	0.6
189.12790	1.2
195.13893	1.8
205.03532	0.9
205.12320	0.6
207.13918	1.2
211.07739	0.5
223.13326	0.5
225.14946	47.7
226.15298	3.8
243.12350	2.4
245.09280	0.5
297.17062	3.1
387.20224	72.3
388.20547	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	387.1562
Annotation	GS-3
Peak:m/z	Relative Intensity
50.64602	0.3
59.01384	0.8
59.56419	0.3
60.56752	0.3
61.98833	4.7
68.99810	0.4
69.48513	2.1
74.95358	0.3
80.17826	0.3
87.53666	0.3
94.06609	2.0
101.02425	0.4
103.00375	0.5
104.05074	0.6
106.06622	0.5
107.03769	12.4
115.63785	0.3
120.04564	1.5
121.05374	0.7
122.06123	52.1
123.06464	1.9
124.07669	0.6
130.03003	3.9
131.03786	4.9
132.04570	8.8
134.06096	1.9
139.02724	2.6
144.04538	0.4
146.06134	2.0
147.03223	1.4
148.04044	1.5
150.05640	0.6
152.07172	100.0
153.04393	0.4
153.07567	3.8
158.02472	13.0
158.03773	0.7
159.02826	0.5
160.04060	1.7
162.05627	6.2
164.07178	1.0
166.05139	0.5
175.02666	0.4
176.03531	1.5
177.04045	0.4
181.12338	0.4
190.05095	54.2
190.66730	0.3
191.05453	3.0
192.06688	1.0
222.07712	43.6
223.08057	3.2
225.11378	0.8
234.07764	1.9
295.10989	0.7
296.11377	0.5
297.12262	0.8
323.10220	0.4
327.13788	0.5
340.10468	0.4
355.13022	4.3
356.12949	0.4
359.16214	2.2
387.15601	90.7
388.15948	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	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78898	0.7
56.76534	0.6
57.72187	0.6
58.29383	0.6
59.01376	10.4
61.98830	9.8
65.30360	0.7
68.99822	10.6
71.01384	5.2
71.51738	0.9
73.02953	13.0
76.99651	0.8
85.02943	4.1
86.37241	0.7
87.04532	1.0
89.02441	2.7
95.05001	1.7
97.02912	0.9
101.02448	15.4
103.00377	20.4
107.05052	1.0
109.06571	1.2
113.02481	3.3
119.03485	1.4
134.02444	1.6
137.06140	0.8
139.11247	1.4
143.03517	0.8
161.04520	1.1
161.09807	0.9
163.11299	7.0
177.12595	0.7
178.01479	0.9
179.05678	0.8
181.12343	61.0
182.12747	3.4
183.10233	1.2
205.12428	0.8
207.10255	2.4
211.13423	2.1
212.05777	1.2
223.13428	0.9
225.11317	100.0
225.14977	3.1
226.07451	0.7
226.11659	7.3
227.08195	3.3
229.09839	1.8
243.12410	2.1
244.75847	0.7
249.11325	2.4
255.07515	1.5
257.09323	1.9
259.10898	1.7
267.12335	4.3
280.53958	0.7
285.08804	13.5
327.09940	1.7
327.14291	1.2
355.09274	7.7
373.10370	1.5
375.56314	0.8
387.12000	1.2
387.16507	4.3
387.23932	2.7
388.16910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.4
61.98830	90.4
70.69961	0.7
70.70307	0.8
72.00911	12.9
72.99291	0.8
74.02457	0.7
84.04551	0.7
85.02946	1.0
87.00850	0.6
87.05650	0.5
88.04044	0.7
89.02435	1.2
91.05556	0.7
96.95988	3.1
97.22679	0.5
102.05618	0.9
103.00364	1.6
103.05565	1.1
110.02492	1.5
111.04535	0.7
111.67800	0.5
115.00398	0.8
119.05058	0.8
127.05123	0.9
128.03529	4.0
130.08714	1.2
135.02927	0.6
145.06154	1.0
147.04520	39.1
148.04886	1.2
151.03990	0.9
160.04111	0.6
164.07164	100.0
165.07487	5.5
175.02428	1.3
196.14569	0.8
222.22510	0.6
224.06047	0.7
229.42511	0.6
258.14545	2.9
292.68872	0.6
323.13486	2.6
323.78488	0.5
386.12875	0.8
386.20419	2.1
387.18759	3.5
387.23163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.3
61.98829	100.0
67.90606	0.2
69.96216	0.4
69.96600	0.5
71.01378	0.4
74.02479	0.3
80.02599	0.2
88.04071	0.5
93.03462	0.4
96.96040	0.5
96.98163	0.2
99.92611	0.3
101.02427	0.2
103.00388	0.5
108.17442	0.2
111.08191	0.3
115.04037	0.2
115.92092	0.3
120.08210	1.1
129.10344	0.2
137.02466	0.3
150.03249	0.9
164.07167	1.5
165.05539	1.2
195.05154	0.4
196.06236	0.2
208.06210	0.8
226.07361	0.3
239.09180	0.4
239.12950	0.4
248.56032	0.3
343.20132	0.2
387.09811	0.6
387.17154	0.3
387.22388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17004	0.2
57.77279	0.3
59.01371	1.4
61.98831	6.8
64.01922	0.2
65.99857	0.6
69.70956	1.1
76.92213	0.3
92.05099	0.5
92.31575	0.3
98.19981	0.4
108.08195	5.9
110.02434	0.3
117.28751	0.2
121.05329	6.0
122.06159	1.6
124.04030	0.5
132.04524	1.9
135.03285	1.7
136.07678	100.0
137.08018	4.2
139.84752	0.3
146.02461	0.5
147.03261	15.6
148.04056	6.9
150.01926	0.6
150.05617	0.5
150.09229	0.5
152.03532	0.8
153.04326	3.7
158.02509	0.8
160.04039	2.9
161.04520	0.4
162.05531	0.4
163.01421	0.3
163.02751	4.7
174.01756	0.4
175.02612	0.3
176.03537	5.7
177.03886	0.4
178.05127	0.7
185.11868	0.3
190.01422	0.4
190.05270	0.6
206.04570	36.2
207.04878	1.8
218.04572	2.4
219.05235	0.4
227.11865	0.3
238.07207	3.0
243.08208	0.3
267.11368	0.8
271.14426	0.5
284.11606	0.4
295.10764	0.6
296.11453	0.3
297.12445	0.7
299.14011	1.5
312.11115	3.4
327.13470	6.9
327.21698	2.4
328.13794	0.6
355.12967	34.5
356.13315	4.4
359.16101	0.4
369.04407	0.3
384.80298	0.3
387.15601	20.5
387.23166	3.4
388.15906	2.1
388.23874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65676	0.3
59.01377	0.9
61.98829	100.0
64.97385	0.3
67.12282	0.3
71.01395	0.2
79.25790	0.3
87.42403	0.3
96.95997	1.6
97.02939	0.3
99.04561	0.3
103.00391	0.6
115.03946	0.3
119.05033	3.3
120.05367	2.5
128.03566	0.4
130.08800	0.4
135.03001	0.5
135.04533	0.3
140.60284	0.3
145.06161	0.3
161.08188	3.1
163.03987	3.1
164.04356	2.7
187.62936	0.3
290.56866	0.3
357.21487	0.4
385.62265	0.3
386.20804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90564	0.5
59.01373	2.1
61.98830	100.0
69.94604	1.5
88.04034	0.5
98.20020	0.6
99.92612	0.9
103.00394	0.7
105.35115	0.4
115.92084	0.6
126.24508	0.4
129.02014	0.5
150.03233	0.5
164.04866	0.5
165.05569	1.8
169.22940	0.5
178.52913	0.5
182.85811	0.5
224.06337	0.7
263.09369	0.5
264.84314	0.5
305.36429	0.6
369.08368	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	386.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88130	0.9
59.01379	1.6
59.15799	0.9
60.09981	0.9
61.98830	100.0
69.78357	4.9
100.70673	0.9
101.49360	1.0
108.03467	0.9
114.72124	0.9
146.04016	3.1
164.41841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
61.98832	100.0
71.51811	0.7
79.70138	0.5
82.07429	0.5
82.84942	0.4
94.36760	0.5
96.96023	1.5
104.05067	1.2
113.39520	0.4
132.04503	0.7
134.06174	1.5
136.07671	0.6
148.03996	0.5
175.33455	0.5
178.27820	0.4
251.11937	0.8
295.10889	1.1
305.17770	0.5
355.12936	4.0
357.57681	0.5
387.15155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33538	0.3
55.01889	0.4
57.03463	0.5
59.01379	7.0
61.98830	100.0
62.98551	0.5
67.09579	0.4
70.82464	1.1
71.01382	5.1
73.02954	1.5
77.20010	0.3
80.33136	0.4
83.01409	0.5
85.02943	1.7
87.00861	0.5
89.02444	2.1
95.01421	0.6
99.00893	0.5
101.02410	2.8
113.02476	1.5
119.03478	0.9
174.01770	0.7
181.12404	0.7
194.84335	0.4
195.33017	0.4
197.15530	0.8
207.13857	1.7
209.15508	0.7
225.11356	1.4
225.14957	20.0
305.14221	0.5
355.09671	0.4
379.59586	0.4
386.22589	0.8
387.20215	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46581	0.3
59.01382	3.3
61.98829	100.0
63.66898	0.4
71.01358	0.8
73.02971	0.4
80.05927	0.4
83.01408	0.8
95.05064	0.6
96.30607	0.4
101.02470	0.5
111.00875	0.4
119.45872	0.4
139.11308	0.9
162.05614	0.4
172.98357	0.4
181.12335	0.6
183.10344	1.4
225.11389	1.5
243.12439	1.0
257.13943	0.6
284.02985	0.4
355.14240	0.4
378.68567	0.4
386.19537	0.6
387.16281	0.5
387.24255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46440	0.3
53.69871	0.2
56.41127	0.3
59.01379	1.5
61.98830	100.0
62.98539	0.4
66.60401	0.2
69.27485	2.5
71.01393	0.4
72.93980	0.3
83.05054	0.3
90.93374	0.3
128.10837	0.3
128.97745	0.3
130.08742	3.9
136.03323	0.3
141.18201	0.3
322.20258	2.4
385.25906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2231
Annotation	Oleandolide
Peak:m/z	Relative Intensity
50.50443	0.6
51.07864	0.5
59.01376	6.2
61.98829	15.3
62.96872	0.5
70.74673	1.4
70.75033	0.5
89.02483	1.4
91.04010	3.0
97.06604	0.7
99.48711	0.6
104.46072	0.6
121.02966	1.1
122.03753	0.8
122.86992	0.7
125.02469	0.8
135.04716	0.6
136.05287	0.6
147.12419	0.6
167.14418	3.4
168.04314	0.6
193.15973	1.6
207.17607	1.4
223.20699	2.4
231.17574	0.8
233.15419	0.8
249.18617	7.7
250.18903	0.8
267.19641	100.0
268.20001	9.7
272.78625	0.6
275.16495	11.6
276.16943	0.9
293.17575	66.5
294.17886	6.2
311.18652	14.0
312.18967	1.5
367.21161	7.2
368.21515	1.2
385.22241	71.0
386.22562	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	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07286	0.4
51.87727	0.4
55.01874	2.2
57.03446	3.1
58.00593	2.8
59.01379	55.7
60.01698	0.7
61.98828	7.2
62.62523	0.4
64.95734	0.4
68.99841	0.4
69.03451	0.9
69.54795	2.6
71.01381	65.9
71.53257	0.3
72.01726	0.9
72.99313	3.1
73.02946	12.0
74.02483	0.4
75.00876	1.6
76.65263	0.4
81.03477	0.6
83.01382	4.4
83.05013	1.5
84.02174	0.7
85.02952	22.0
86.03291	0.6
87.00871	3.2
89.02444	32.3
90.02802	0.5
95.01377	6.0
95.05034	1.8
97.02939	5.7
97.06604	0.7
99.00273	0.5
99.00884	6.2
101.02441	34.0
102.02805	0.7
103.00373	0.7
104.23435	0.4
105.07092	1.2
107.05070	1.0
108.05831	2.6
109.02928	0.5
109.06593	1.9
111.04507	1.3
111.08121	0.7
113.02451	27.6
113.06070	3.7
114.02808	0.6
115.00407	0.5
115.04061	0.4
117.69547	0.3
118.99938	0.4
119.03506	11.4
119.04907	0.5
121.02963	1.7
121.06626	1.1
122.03732	1.7
123.08175	4.5
124.01637	0.5
125.02453	2.0
125.06084	3.2
129.01930	0.7
131.03510	1.1
134.03758	1.0
135.08162	1.0
136.05283	3.3
137.06079	1.8
137.09718	0.5
138.06868	22.3
139.07652	11.3
140.07957	0.4
143.03508	3.6
147.08168	1.1
149.04515	0.7
149.06078	1.3
149.80386	0.4
151.07645	23.7
152.04823	1.8
152.08430	47.0
153.09212	100.0
154.09541	5.6
155.21480	0.5
159.03004	3.4
161.04555	20.8
161.09685	1.0
162.04906	0.8
163.11276	3.3
165.09198	2.0
167.07141	2.4
175.03935	0.5
179.05644	3.6
187.11295	0.7
189.09181	1.3
190.09988	1.9
193.04950	0.8
204.14490	0.4
205.12321	32.1
206.12703	2.1
223.13391	19.7
224.13712	1.6
229.12456	0.5
231.06342	0.5
267.07202	4.2
327.12473	0.4
385.11102	1.9
385.18680	10.9
386.18994	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01751	2.4
55.60598	2.4
57.03447	5.2
59.01380	47.3
61.98830	53.3
64.86508	2.5
67.73386	2.7
70.30417	2.7
71.01374	16.3
71.51326	4.2
72.99306	3.7
72.99824	2.7
73.02936	12.4
75.00845	5.8
77.59560	3.0
80.50211	2.7
83.01417	5.6
85.02940	5.4
87.00842	3.7
89.02486	2.7
99.00888	15.4
103.00373	21.4
107.05066	3.2
112.98803	29.5
113.02450	9.0
115.00344	6.4
119.04984	3.6
138.56018	3.2
142.99858	34.4
156.00615	6.6
161.81174	3.2
164.07118	3.5
173.00903	22.8
174.01689	100.0
175.02383	6.6
183.44884	2.9
207.14026	3.7
209.11850	3.0
211.13354	31.7
223.13246	14.3
225.13272	3.1
235.13324	4.2
243.12285	5.4
251.12646	3.5
263.12814	6.9
267.12332	10.0
279.12201	4.2
307.11929	12.2
325.12744	4.6
349.12924	4.0
351.06549	2.9
367.13968	34.3
368.14258	3.7
385.14563	6.0
385.22241	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.2
59.01108	2.7
59.01382	27.9
61.98826	40.4
71.01371	12.0
71.52383	3.4
72.99310	6.0
73.02949	4.9
75.00853	2.6
83.01387	5.0
85.02963	2.5
87.00881	3.6
89.02459	2.6
93.16476	1.9
99.00883	13.7
101.02429	3.0
103.00385	12.6
111.00879	3.6
112.98816	25.7
113.02446	6.6
115.00375	6.8
124.98764	3.3
139.11334	2.6
141.01929	3.0
142.99854	36.3
145.01370	2.4
147.04486	2.1
150.05655	2.2
156.00618	4.7
164.07207	2.0
173.00899	23.1
174.01682	100.0
175.02292	8.9
179.10657	3.0
183.10228	2.2
205.12354	4.0
211.13376	32.4
212.13678	2.4
223.13341	14.2
243.12373	4.0
245.11777	3.2
263.12808	7.3
267.12332	11.6
279.12369	2.1
307.11877	11.2
325.12888	4.5
349.12802	2.9
353.28204	2.0
367.13971	35.0
368.14267	3.6
385.14624	7.7
385.22302	7.9
386.16205	2.3
386.22086	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	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34576	0.7
59.01388	5.7
61.98544	1.0
61.98832	14.0
69.46386	5.0
79.15739	0.6
84.20380	0.7
93.03455	0.8
96.96019	1.1
97.02950	2.2
111.04476	0.7
119.05027	89.8
120.05362	4.0
130.08725	0.7
137.06099	1.3
149.06065	1.6
153.57578	0.8
163.04007	100.0
164.04338	5.6
175.02573	0.7
189.09195	0.9
189.33334	0.6
193.05003	1.6
205.05051	0.9
208.04472	0.6
211.06050	1.0
223.06210	1.1
245.08099	1.0
277.07230	1.8
325.09332	1.5
344.90195	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1138
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
57.03444	2.3
58.24765	0.8
59.01379	15.4
61.98810	2.6
70.17541	3.0
71.01383	19.1
72.01720	0.8
72.99305	3.2
73.02931	1.3
75.00863	10.6
85.02949	19.1
87.00875	8.0
88.04026	1.0
88.98812	3.1
89.02436	6.5
91.05525	6.5
95.01394	3.3
99.00872	5.6
101.02473	0.9
103.00380	2.5
113.02456	23.6
114.02779	1.0
115.00379	2.0
116.92826	1.2
117.01952	1.9
117.03456	3.1
121.02961	4.8
129.01921	0.9
135.04552	5.0
149.02434	43.4
150.02773	2.1
152.01147	6.9
163.03987	6.4
164.04793	33.4
165.01900	1.9
165.05093	2.8
167.03517	1.9
169.05009	3.9
175.02437	1.7
179.07121	10.4
192.99785	1.7
193.01418	18.1
194.01730	1.4
207.05037	1.0
208.03758	41.4
209.04190	1.6
223.06105	100.0
224.06522	7.1
249.06090	8.0
266.54678	0.9
267.07196	86.6
268.07495	4.1
365.84305	0.9
385.11340	22.7
385.19302	0.9
386.11334	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	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
56.47253	1.0
56.52617	0.8
57.03440	3.9
59.01379	21.4
61.98822	2.6
67.01871	0.8
68.99802	2.3
69.03473	1.2
69.67214	2.6
69.67624	2.3
71.01379	27.5
72.99312	5.0
73.02946	1.8
75.00870	21.8
81.03448	1.1
83.01363	2.1
85.02463	1.7
85.02953	27.9
87.00880	11.3
89.02447	8.1
91.04005	0.9
91.05530	31.6
95.01376	5.3
98.19910	2.0
99.00887	11.2
102.90392	0.8
103.00385	2.7
113.02444	36.5
114.02773	1.7
115.00401	2.1
117.01976	4.4
117.03468	6.0
129.01947	2.7
130.08757	1.4
135.04539	12.8
157.01399	1.1
175.02507	2.8
187.66531	1.0
205.07150	1.7
207.05022	1.2
220.55750	0.9
223.08269	1.0
231.05051	2.6
249.06140	38.4
250.06529	1.9
267.07205	100.0
268.07462	5.5
289.60806	0.8
385.11362	39.8
386.11676	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	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32261	0.5
55.01865	0.6
57.03444	1.0
59.01378	100.0
60.01711	1.4
61.98832	5.8
71.01377	7.7
71.52405	0.9
72.04592	0.5
73.02942	8.2
83.05099	0.6
85.02963	1.9
90.98592	0.8
99.00915	0.7
101.02442	4.1
103.00373	7.6
113.02446	4.2
119.05049	0.8
125.33368	0.5
135.11745	0.7
141.09271	0.5
148.05313	10.3
149.09920	0.6
159.03011	1.0
161.04567	6.9
163.07634	8.5
179.10797	2.0
191.87085	0.6
223.09804	2.5
259.60413	0.6
270.01303	0.6
271.15540	2.0
281.14096	0.6
297.16846	0.9
299.15067	0.7
385.10364	1.3
385.14749	0.9
385.22455	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	383.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01702	1.4
60.40137	1.3
60.94852	1.4
61.67327	1.2
61.98816	3.3
69.73984	1.2
70.42051	4.5
71.01389	1.6
88.07005	1.4
89.02422	1.6
94.45637	1.3
121.02942	13.6
132.24829	1.3
174.12355	1.3
178.86555	1.4
191.03558	1.7
225.05449	1.8
244.91083	1.8
247.20581	2.7
291.19696	1.8
309.20633	7.2
313.07147	2.6
314.89981	1.3
339.08707	2.8
383.07745	4.7
383.24310	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	52.5
60.01711	1.0
61.98834	6.9
69.67725	4.0
69.68130	2.3
71.01376	18.9
71.05013	4.2
72.99304	1.7
73.02929	4.0
83.01376	3.1
85.02953	5.1
87.00867	2.1
87.04515	1.6
89.02448	24.4
95.01376	3.1
99.00878	2.9
99.04515	12.0
101.02441	12.5
101.06079	3.9
111.04486	1.6
113.02444	11.1
115.00369	1.1
115.03975	8.6
115.07635	5.0
117.01945	2.2
117.05619	7.1
119.03497	9.6
119.05015	3.7
122.02467	1.6
125.02430	3.6
141.05569	1.8
143.03503	2.6
145.02942	2.1
150.09253	1.2
154.54199	1.1
155.03458	1.6
159.06593	1.2
161.04576	6.0
161.08194	100.0
162.08519	5.0
163.03958	3.2
175.02490	1.2
178.08665	1.2
179.05624	10.8
310.48895	1.1
323.17078	22.0
324.17334	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	383.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57036	1.3
59.01379	100.0
61.98819	4.1
69.65692	2.6
69.66083	4.5
71.01354	1.7
91.48330	1.3
93.01464	1.4
97.60951	1.3
98.19942	1.9
109.03954	1.1
149.30421	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01379	100.0
60.01705	1.3
61.48030	0.9
69.19624	0.9
71.01383	35.0
73.02945	6.8
83.01386	2.5
85.02954	11.1
87.00864	4.4
89.02421	3.0
95.01398	2.1
99.00874	2.1
101.02446	14.1
101.06042	1.4
103.23835	1.0
113.02448	8.2
115.64166	1.1
116.65894	1.0
119.05051	2.8
125.02452	1.2
129.01965	1.3
129.05563	1.3
135.09703	1.2
147.06642	29.7
149.77748	1.0
159.02989	2.3
161.04543	13.6
162.85262	1.2
163.04005	2.6
173.08244	5.5
196.30128	1.1
201.07764	6.8
204.34113	1.0
226.38460	1.1
263.11340	32.2
264.11609	2.7
291.10834	13.8
305.29657	1.0
323.13370	1.4
323.17050	1.3
353.85239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11441	1.6
53.17280	1.5
55.27326	1.4
55.46984	1.3
57.03454	1.8
58.02975	2.6
59.01382	100.0
68.86127	1.3
71.01387	34.8
71.51096	2.5
71.51465	2.0
73.02924	7.2
82.12247	1.6
83.01403	2.4
83.05004	1.9
83.06078	1.8
85.02956	10.3
87.00865	3.0
89.02434	3.9
95.01450	1.7
99.00874	4.3
101.02454	13.7
102.44215	1.7
113.02419	6.3
119.05038	10.8
127.03944	2.1
129.01932	1.8
136.07664	4.0
145.02936	7.0
147.06639	36.4
150.09106	1.5
161.04604	9.3
161.05815	1.6
163.04004	8.3
173.08249	3.6
178.08727	11.2
201.07684	7.2
231.06462	2.6
235.44775	1.9
237.06171	7.4
263.11346	18.3
291.10886	16.2
330.35236	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	382.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84788	0.9
52.45070	0.8
53.61079	0.9
56.07964	0.8
59.01379	100.0
59.26764	0.9
60.01715	1.0
61.98827	1.7
70.76208	0.8
70.98453	1.2
70.98772	1.5
101.44396	0.8
166.33604	0.9
320.75595	0.9
322.27426	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.8
59.01377	18.4
61.98820	5.6
62.62606	1.1
68.99816	2.4
69.03465	3.2
69.19094	1.3
71.01382	51.8
72.99309	6.3
73.02949	1.4
75.00874	50.4
78.56627	1.2
83.01385	1.4
85.02955	10.6
87.00880	12.7
89.02439	4.3
91.17287	1.2
92.02679	2.8
93.03465	4.1
95.01392	11.6
97.02938	5.1
98.04357	1.2
98.19844	2.3
99.00874	23.0
101.02442	3.6
103.00392	6.2
105.00771	1.4
108.02180	10.3
111.00887	3.7
115.03981	1.4
129.01945	37.8
131.03496	4.9
136.01660	73.9
137.02354	6.4
141.01903	3.8
149.02408	2.5
159.02971	9.2
161.09695	5.0
165.14862	1.2
177.04039	60.2
178.04376	2.6
195.05075	5.0
205.08688	54.8
206.09033	2.4
228.99469	1.3
314.06448	4.3
347.11469	2.3
383.13440	100.0
384.13757	12.1
395.19000	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	382.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15927	0.4
57.14109	0.3
59.01368	2.6
61.98832	100.0
71.01415	0.5
71.52338	0.7
75.22452	0.4
87.00944	0.5
91.05563	0.6
91.81529	0.4
96.90471	0.4
96.96031	1.1
111.47337	0.4
122.83852	0.4
127.69953	0.4
129.10367	3.8
147.04564	1.6
154.08701	0.6
163.46394	0.4
164.07153	2.7
171.11380	2.2
220.09882	0.5
233.16672	1.5
259.39456	0.5
319.16589	13.3
319.20181	0.7
320.17059	1.3
382.19913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16749	0.7
59.01381	4.4
61.88501	0.7
61.98834	4.6
62.33866	0.8
65.42506	0.8
65.77509	0.8
69.14462	8.8
71.01383	2.5
74.02484	1.6
81.03457	0.9
86.96500	0.8
89.02439	1.0
93.03453	3.9
95.01392	7.1
96.71890	1.0
99.00941	1.4
100.00409	100.0
101.00780	1.9
101.02432	1.1
105.07149	1.0
113.02449	12.6
115.05543	1.2
119.05029	87.3
120.05386	2.8
121.06602	0.9
125.02464	1.6
128.54274	0.9
131.04967	1.1
132.05885	1.6
133.06599	1.3
134.04750	5.2
136.51848	0.9
145.02960	9.4
146.73602	0.8
148.07704	4.0
159.04524	2.1
162.07829	0.9
163.04036	1.3
167.43616	0.9
174.01585	1.1
176.07143	9.1
176.49489	0.8
177.07478	1.0
191.03789	1.1
193.79294	0.9
202.05087	1.3
203.03387	1.2
206.06783	2.3
220.06139	55.1
221.04530	2.6
221.06555	3.7
260.62646	1.0
262.07504	0.9
343.11923	1.0
382.11462	41.6
383.07104	0.9
383.11847	4.6
383.20908	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	382.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68710	0.9
56.70454	0.9
59.01373	6.9
61.98822	4.5
69.14372	11.0
71.01371	3.7
74.02464	2.1
83.01352	1.1
87.00869	1.0
89.02397	1.5
93.03454	2.9
95.01396	6.9
99.00858	2.7
100.00409	100.0
101.00743	2.0
101.02465	1.3
103.52174	1.0
113.02452	15.2
115.00355	3.5
117.03469	1.2
119.05025	87.4
120.05343	3.8
125.02440	2.5
131.04999	2.0
132.05775	1.4
133.06544	2.4
134.04723	18.2
145.02927	8.2
148.07684	3.5
155.03323	1.1
159.04515	2.5
162.07820	1.4
163.04024	2.0
174.01660	2.2
176.07137	9.7
177.05522	1.6
193.05077	1.8
202.05095	1.3
202.08960	1.1
203.03520	1.8
206.06798	5.8
220.06149	55.9
221.04556	2.6
221.06496	3.2
229.63673	1.0
237.04179	1.2
268.55878	1.1
279.04459	1.0
300.63077	1.0
356.68353	1.0
382.11560	41.4
383.05948	1.2
383.11331	4.8
383.20593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88186	0.6
57.54932	0.6
59.01373	0.9
61.98822	1.8
71.51919	0.7
77.75075	0.6
79.31055	0.5
98.20501	0.6
127.11317	0.7
127.53033	0.7
138.06833	0.5
151.11365	1.1
153.12834	4.3
163.11324	0.8
165.12794	3.5
169.12296	0.7
170.05823	3.2
179.10768	12.5
181.12340	37.2
182.12674	2.1
195.10240	2.6
197.11813	3.4
199.13391	100.0
200.13762	6.3
215.12796	1.7
279.07001	0.6
293.09372	0.6
320.84869	0.6
345.24576	0.8
363.25421	7.0
364.25919	1.0
381.11172	1.3
381.26523	5.0
382.26965	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31010	0.7
59.01380	100.0
61.98841	1.9
119.75859	0.7
137.09740	1.6
159.10234	1.6
215.03860	0.9
239.12946	4.8
255.03313	1.5
362.09061	0.6
381.13742	0.8
381.22797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	0.7
59.01379	100.0
61.98822	3.6
65.59074	0.7
70.63664	0.7
71.01392	2.2
72.52315	0.6
82.02539	0.6
82.10004	0.6
89.00455	0.7
93.03465	1.4
103.00374	20.7
105.75981	0.6
108.02191	1.2
116.41886	0.6
136.01653	6.0
149.02464	1.8
150.03172	0.7
163.04080	0.7
201.11441	1.4
205.08755	2.7
208.98096	0.7
225.11444	0.8
229.01369	0.9
281.30841	0.8
311.10236	0.7
339.21957	0.9
381.23096	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
61.98827	0.8
70.69600	1.0
70.69942	0.8
71.49575	0.7
76.37072	0.6
86.05941	0.7
101.06094	0.7
120.00914	0.5
137.06071	0.9
138.06876	0.7
139.07716	0.6
149.06087	0.9
151.07715	1.3
157.77272	0.5
165.09174	0.7
166.21422	0.6
170.05844	3.7
178.35881	0.6
192.11632	1.2
199.13464	0.9
233.19086	1.2
235.20726	1.4
249.18564	1.2
251.20117	3.2
277.18076	81.7
278.18350	7.0
279.19647	23.6
279.22800	0.9
280.19986	3.2
295.19128	100.0
296.19492	9.5
306.17737	0.6
324.65469	0.6
363.25378	16.2
364.25601	2.8
381.26468	6.8
382.26654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.6
57.03450	3.7
58.00595	1.7
59.01380	33.6
60.01719	0.7
61.98824	7.3
66.68677	0.6
68.01409	3.2
69.03450	1.5
71.01379	53.4
72.01716	1.3
72.99312	3.4
73.02946	29.7
75.00877	1.7
79.65903	0.6
83.01382	15.2
85.02948	28.6
85.06584	0.7
86.00092	1.0
87.00881	4.0
87.08135	1.2
89.02438	10.0
92.75169	0.7
95.01396	2.8
97.02961	3.6
99.00884	11.9
99.04498	1.2
101.02441	62.4
101.06046	0.7
102.02769	1.6
110.02420	0.7
111.00891	2.2
111.04465	0.8
113.02451	21.6
115.04025	1.6
125.02442	3.4
129.01935	1.5
130.08728	0.8
131.03534	2.8
135.03018	0.8
143.03456	2.0
149.04552	1.4
159.03058	3.2
161.04558	16.5
163.03969	0.7
174.01785	1.0
191.05713	0.9
191.76559	0.6
212.88766	0.8
233.06619	2.5
247.06088	1.2
249.13411	100.0
250.13776	6.8
267.03687	1.2
293.12399	1.1
345.22165	1.0
381.17627	99.6
382.17987	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.6
57.03450	3.7
58.00595	1.7
59.01380	33.6
60.01719	0.7
61.98824	7.3
66.68677	0.6
68.01409	3.2
69.03450	1.5
71.01379	53.4
72.01716	1.3
72.99312	3.4
73.02946	29.7
75.00877	1.7
79.65903	0.6
83.01382	15.2
85.02948	28.6
85.06584	0.7
86.00092	1.0
87.00881	4.0
87.08135	1.2
89.02438	10.0
92.75169	0.7
95.01396	2.8
97.02961	3.6
99.00884	11.9
99.04498	1.2
101.02441	62.4
101.06046	0.7
102.02769	1.6
110.02420	0.7
111.00891	2.2
111.04465	0.8
113.02451	21.6
115.04025	1.6
125.02442	3.4
129.01935	1.5
130.08728	0.8
131.03534	2.8
135.03018	0.8
143.03456	2.0
149.04552	1.4
159.03058	3.2
161.04558	16.5
163.03969	0.7
174.01785	1.0
191.05713	0.9
191.76559	0.6
212.88766	0.8
233.06619	2.5
247.06088	1.2
249.13411	100.0
250.13776	6.8
267.03687	1.2
293.12399	1.1
345.22165	1.0
381.17627	99.6
382.17987	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	380.156
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
51.54080	0.4
55.01865	0.5
57.03449	0.8
59.01381	17.5
61.98834	4.4
70.13558	1.8
71.01382	32.2
71.05022	5.9
72.00876	0.4
72.01690	0.5
72.99303	1.1
73.02951	1.6
73.04069	0.6
74.02464	0.6
75.00877	1.0
82.11963	0.4
83.01407	1.1
85.02955	3.4
87.00862	0.6
87.09331	0.4
87.48296	0.4
88.04037	4.6
88.51051	0.4
88.69829	0.4
89.02442	8.1
95.01391	0.6
99.00895	1.0
99.04515	2.2
101.02436	8.8
113.02444	4.9
115.00391	0.5
116.03542	1.1
116.07192	1.4
119.03514	2.8
126.09314	0.6
128.03519	1.8
128.07179	2.6
129.05583	1.6
131.03551	0.5
131.07135	1.2
134.52971	0.4
138.05562	0.6
146.08228	57.1
147.08617	2.1
161.04549	1.4
161.59525	0.4
174.11348	0.7
175.02477	0.6
179.05597	0.6
186.07912	0.5
200.09325	1.0
218.10374	0.8
251.10306	0.8
263.11313	0.6
308.13449	5.1
321.95721	0.5
362.14456	1.5
380.15619	100.0
381.16068	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	381.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37550	0.4
58.00593	0.6
59.01382	14.1
61.98823	1.1
62.86310	0.4
69.59321	1.0
69.59729	1.5
70.30376	0.4
71.01375	4.9
72.99317	0.5
75.00871	0.8
80.70775	0.4
85.02939	0.9
89.02440	1.2
92.02679	1.0
93.03465	4.4
95.01385	4.4
103.00372	100.0
104.00700	1.3
108.02187	4.0
113.02432	1.1
115.00321	0.5
136.01659	26.1
137.02023	1.0
149.02423	8.8
150.03191	1.9
161.09683	2.1
175.02469	0.8
205.08684	15.4
206.09013	1.3
219.10330	1.0
247.09709	1.7
354.07605	0.5
363.17639	0.5
381.12042	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	379.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98817	14.0
63.70914	5.0
65.93123	5.4
70.08157	16.6
71.01353	7.5
84.01562	5.3
97.02913	7.8
117.07065	6.0
130.60785	5.4
146.68930	4.9
151.19890	5.6
173.67189	4.6
287.16403	7.1
361.20209	6.3
379.21249	6.5
384.68430	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	379.2852
Annotation	Persin
Peak:m/z	Relative Intensity
50.95056	0.3
52.84005	0.3
61.97321	0.3
61.98829	0.4
65.17629	0.3
66.91436	0.3
69.18664	0.8
69.19074	2.3
73.48603	0.4
81.29971	0.3
84.67386	0.3
98.19933	0.6
109.90112	0.4
141.09412	0.3
221.11617	0.3
293.09323	0.3
295.08563	1.5
347.25903	8.3
348.26224	1.1
363.14996	2.0
379.28528	100.0
380.28879	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	378.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
61.98831	100.0
68.94300	0.4
69.17522	2.6
69.17928	1.1
70.13133	0.3
100.05711	0.5
125.09808	0.4
125.56967	0.4
148.83545	0.4
149.06140	0.5
154.69559	0.5
335.19830	0.7
378.20547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27207	1.1
57.03448	100.0
58.03777	2.8
59.01378	87.0
60.01685	1.3
61.98804	4.9
70.03381	1.2
71.01378	15.3
71.51907	1.4
73.02953	8.3
81.03465	2.1
83.01385	5.5
85.02946	10.4
87.00877	1.5
88.98818	8.9
89.02408	2.5
95.01433	2.1
99.00882	3.4
99.04520	78.3
100.04875	3.4
101.02441	40.8
113.02449	8.1
125.02442	20.9
130.08720	2.0
134.04727	4.0
143.03476	2.2
159.02908	1.7
161.04533	7.5
165.05522	1.3
165.07498	1.7
181.81331	1.2
181.82919	1.4
201.11293	2.1
209.11737	5.7
235.11859	40.5
236.12219	2.0
237.25288	1.4
245.09416	1.8
303.87930	1.4
317.16049	2.6
335.18201	2.9
379.15771	7.8
379.20441	6.3
380.11139	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	377.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.4
61.98824	7.1
69.03440	4.3
69.16248	5.7
69.16653	15.0
70.43695	2.0
84.02164	3.0
86.64471	2.7
98.20715	4.9
137.09714	8.4
158.63135	1.9
171.10257	29.3
176.00581	2.3
235.36411	2.2
277.98950	2.5
280.93265	2.1
341.23312	100.0
342.23691	12.2
369.01038	2.2
377.23407	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	377.231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63273	2.1
59.01377	25.7
61.98827	3.5
63.55789	2.2
66.32479	2.6
83.84798	2.1
88.26109	1.9
102.88113	2.0
151.11317	2.3
171.10280	26.8
190.73456	2.4
255.21385	2.2
277.21716	37.9
278.22018	3.6
295.22772	100.0
296.23148	7.2
297.62735	2.1
313.05408	2.1
317.20969	33.9
361.20010	5.9
377.23004	31.1
378.23264	3.3
399.40280	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	378.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94860	0.9
59.01376	9.3
61.98830	100.0
72.00090	0.9
100.66031	1.1
153.12825	2.0
197.11862	2.2
204.05261	1.1
208.44160	1.2
253.18352	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	73.4
61.98829	100.0
70.80886	35.3
78.63704	28.4
90.53643	32.8
142.37283	50.0
155.47693	34.1
240.03546	33.8
377.23669	65.8
381.24561	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69042	1.3
57.03446	1.9
57.49056	1.2
59.01378	40.9
61.63286	1.3
61.98825	4.8
71.01389	4.1
71.52312	1.7
73.02943	3.3
77.67661	1.5
85.02938	3.1
87.00863	2.0
89.71790	1.5
101.02435	2.1
103.00417	1.8
105.01947	8.2
111.00835	1.8
122.06137	1.7
124.04083	2.6
129.01956	3.5
133.01631	1.4
137.09715	3.2
139.11284	41.3
140.11639	3.0
146.06071	2.6
147.02962	1.7
149.02428	12.4
150.03175	1.9
155.10780	18.6
160.03984	1.9
161.04808	4.5
163.11324	1.6
164.04755	2.0
164.83078	1.4
165.05583	1.6
165.09180	1.6
177.04041	4.2
181.12325	18.8
182.12694	1.5
183.10255	49.2
184.10606	4.2
197.11848	1.9
199.09778	8.4
199.13420	5.6
220.06139	3.3
225.11317	15.6
231.88834	1.5
238.07263	2.2
243.12358	93.7
244.12674	8.8
253.10962	1.7
268.41296	1.3
270.91583	1.4
274.20239	1.5
296.06116	4.4
314.11679	4.1
329.14008	12.9
359.13501	7.4
377.14264	10.3
377.18240	100.0
378.14359	1.6
378.18805	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	377.145
Annotation	Abafungin
Peak:m/z	Relative Intensity
54.70055	1.4
57.03441	5.7
59.01381	20.9
61.98821	2.8
64.40195	1.1
68.99804	1.5
69.03448	2.1
70.03559	3.7
70.03963	2.7
71.01380	16.7
71.05078	1.2
72.22569	1.1
72.99307	7.1
73.02940	3.9
75.00875	16.6
77.50156	1.0
84.02137	1.4
85.02954	16.6
87.00861	3.6
89.02444	7.4
97.02942	2.0
99.00876	11.6
101.02466	3.2
103.00443	1.4
107.05017	2.1
108.36647	1.2
109.02970	1.4
111.00895	1.3
113.02448	1.9
129.01947	21.9
135.04527	13.8
137.09758	7.6
155.10785	100.0
156.11133	5.4
159.02962	2.2
161.04581	1.6
169.70636	1.3
177.04044	23.4
181.04974	1.6
195.05095	1.6
199.09750	65.7
200.10121	3.0
243.12323	1.7
283.02151	1.3
317.16022	3.0
324.27719	1.3
345.10852	2.0
359.13300	1.7
377.14432	75.3
378.14642	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	376.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01844	0.6
59.01377	100.0
61.98825	6.7
70.34926	1.1
70.35258	1.3
72.12313	0.7
114.30359	0.8
134.75859	0.7
143.21384	0.7
143.67474	0.7
146.96576	0.7
166.14653	0.7
203.53293	0.9
204.44200	0.7
217.62839	0.9
316.28622	1.3
332.01547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1424
Annotation	Go 6976
Peak:m/z	Relative Intensity
59.01383	0.5
61.98824	3.1
71.50842	0.6
84.93896	0.7
91.23817	0.4
97.37695	0.4
99.92584	82.7
100.92591	4.9
100.93362	2.9
115.92078	43.5
116.92859	100.0
117.92874	6.4
131.91566	0.5
132.92337	0.4
161.31459	0.4
166.98839	0.4
168.33682	0.4
198.26726	0.4
276.91684	0.5
277.21692	1.4
299.05942	1.3
301.92004	0.5
308.07166	2.2
315.14066	0.8
325.80685	0.4
333.15302	0.7
358.70053	0.5
359.13113	1.9
371.09311	0.6
373.11111	3.6
374.11282	0.7
377.14240	52.5
378.14462	9.9
387.08929	0.5
391.12119	5.3
392.12183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1449
Annotation	Abafungin
Peak:m/z	Relative Intensity
55.01872	0.9
57.00750	0.5
57.03432	2.7
57.57993	0.7
58.00600	0.6
59.01384	8.0
62.83676	0.6
63.17815	0.6
63.89656	0.7
68.99822	1.2
69.03458	4.1
71.01380	24.9
72.01710	0.6
72.99296	2.4
73.02945	2.2
75.00875	23.1
76.01203	0.7
79.34950	0.6
83.01382	1.2
85.02946	6.0
87.00880	5.8
87.04504	3.0
89.02425	2.2
95.01353	0.9
97.02943	5.5
99.00887	12.0
101.02434	0.7
109.53465	0.6
111.00864	2.6
113.02451	1.2
115.04002	0.9
129.01933	16.4
131.03520	2.2
133.01501	0.7
133.81982	0.6
135.08110	0.8
137.09708	6.8
138.10043	0.7
139.11223	0.9
141.01917	5.0
145.68814	0.6
155.10779	64.7
156.11113	4.0
159.02945	3.1
169.12338	1.9
177.04045	17.8
181.08679	2.1
185.11908	0.6
199.09746	30.6
200.10089	1.9
228.98341	0.7
240.68867	0.7
241.10803	5.4
359.13474	6.6
377.14505	100.0
378.14899	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	376.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.9
59.35772	0.4
61.98829	100.0
64.68404	0.4
69.26218	0.4
69.26604	3.3
73.02948	0.4
75.79561	0.4
80.05849	0.4
90.51160	0.4
98.20676	0.9
102.61472	0.4
111.46459	0.4
135.04559	0.7
136.93376	0.4
140.25438	0.4
148.97650	0.4
149.06108	1.1
163.04030	0.9
163.41888	0.4
214.15437	0.4
268.11612	0.6
313.11047	0.5
344.13428	1.1
376.20618	2.0
376.27924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67056	0.3
57.03446	1.2
59.01377	1.6
61.98819	0.8
65.72607	0.3
69.03439	0.4
69.61620	1.8
73.02953	0.4
87.04518	0.7
97.06604	0.5
109.06582	0.6
111.08144	0.4
123.08138	0.7
135.08112	0.5
138.06979	0.3
139.11290	0.9
141.09206	0.6
153.09267	0.6
157.12292	1.6
169.12343	1.1
185.11798	1.9
215.12804	1.5
311.22348	0.7
327.21707	0.4
329.23233	2.8
339.25488	0.4
341.39532	0.4
357.26459	3.2
373.25925	3.6
374.26334	0.4
375.27490	100.0
376.27786	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	375.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.9
59.01379	100.0
60.44267	1.5
60.66605	1.5
61.98821	7.4
63.96230	7.8
68.04713	1.5
69.73792	9.8
69.75260	1.7
71.90297	1.8
79.95737	13.0
80.96527	3.4
81.63658	1.5
83.01382	2.5
83.05027	2.8
91.49821	1.6
117.16358	1.9
120.02287	1.5
134.03716	5.1
135.04477	3.5
136.43535	1.5
149.06081	8.6
153.05534	1.9
158.69443	1.8
173.09776	1.8
183.13812	1.5
191.07422	3.3
295.22714	2.3
297.18723	3.0
364.70923	1.8
375.18204	5.9
375.22415	2.1
398.63718	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	375.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85354	3.7
59.01378	57.4
59.01871	3.4
61.98823	17.9
99.92608	4.5
121.10226	31.1
171.10272	71.0
172.10823	4.8
188.16002	4.1
253.09239	4.2
275.20135	100.0
276.20593	9.3
278.11432	9.7
293.21240	93.5
294.21570	8.7
315.19336	57.3
375.21414	45.5
375.25824	6.9
376.21280	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	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.6
59.01380	31.1
61.98819	5.5
95.04946	2.3
98.19902	6.6
106.33540	2.5
113.09721	15.1
117.06375	2.2
117.07317	2.4
121.10228	3.9
157.96115	2.5
171.10283	14.5
197.24149	2.6
213.06522	2.4
217.12016	3.3
223.48575	2.5
247.20877	3.1
275.20157	17.0
293.21240	100.0
294.21475	12.6
315.19376	98.1
316.19647	8.6
329.06528	2.8
338.27777	2.6
375.21484	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
56.36863	0.5
57.03443	0.7
58.00592	1.2
59.01380	45.1
60.01683	0.8
61.53671	0.5
61.98819	1.8
66.83645	0.5
71.01382	25.3
71.05028	0.5
71.52868	0.9
72.99307	2.3
73.02941	1.5
83.01388	2.1
85.02959	6.8
87.00881	1.2
88.98813	0.7
89.02446	19.9
95.01382	2.3
99.00948	0.7
101.02440	14.2
102.02826	0.5
103.00377	1.0
113.02451	8.7
119.03498	6.5
153.05568	0.9
155.10864	0.7
183.13974	0.6
195.13899	8.9
196.14235	1.0
213.14934	3.6
226.87460	0.6
248.97278	2.3
264.96780	0.9
357.19257	0.7
375.20230	100.0
375.27216	13.0
376.20520	11.5
376.27942	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	375.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19269	2.4
59.01379	28.9
61.98817	8.7
66.64780	2.2
68.58354	2.4
71.51602	2.7
71.51997	2.9
94.58629	2.6
95.05028	30.0
96.05324	2.9
99.92549	7.9
192.87389	2.5
195.13896	8.6
223.13390	8.9
246.12395	11.5
275.20093	7.0
278.11359	71.2
279.11655	6.3
293.21237	100.0
294.21613	13.4
315.19388	25.3
338.12271	5.0
375.21353	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79025	0.5
58.91702	0.5
59.51669	0.5
61.05566	0.6
62.08109	0.6
62.25196	0.6
65.27711	0.6
69.69385	3.0
74.99070	1.9
75.99820	0.5
88.68879	0.6
93.00163	0.6
104.51021	0.5
124.18366	0.6
143.05214	0.6
146.84322	0.6
149.91502	0.6
159.07219	0.9
159.08458	10.3
161.06360	1.7
192.98242	0.7
209.01297	2.4
217.07268	1.5
255.25864	0.8
277.07465	2.1
279.23187	0.8
289.07779	1.6
291.09094	89.9
292.09250	12.9
309.10068	0.9
357.13843	1.4
359.15341	100.0
360.15500	16.0
375.18445	10.2
376.18698	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41846	0.4
59.01380	100.0
60.01718	1.2
61.98826	2.8
69.24091	2.1
69.24514	1.4
71.01384	2.1
81.52486	0.4
88.49626	0.4
89.02438	2.4
101.02467	1.4
113.02455	0.8
119.03509	1.2
138.94014	0.4
143.03517	0.5
154.36871	0.4
155.79372	0.4
162.25063	0.4
167.04807	0.4
179.05711	0.7
209.84625	0.4
285.13663	0.4
375.18506	0.7
375.26773	6.1
376.26669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40326	0.5
57.03445	1.9
58.31275	0.5
59.01379	26.6
60.01699	0.7
66.20579	0.6
69.84406	0.8
69.84702	2.5
73.02941	1.8
74.70930	0.5
79.11613	0.5
84.29257	0.5
98.20002	1.1
101.11021	0.5
103.00378	1.6
131.03493	0.5
137.09705	0.7
139.11293	33.0
140.11636	1.5
149.04616	0.6
155.10803	0.8
163.11317	1.1
165.09203	1.0
181.12350	14.1
182.12669	0.8
183.10263	33.8
184.10594	1.7
199.09898	0.6
199.13423	4.0
225.11324	8.9
243.12358	100.0
244.12703	8.3
375.16583	32.2
376.16888	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92667	0.9
51.02472	0.8
54.69553	1.1
57.51568	0.8
58.51428	0.8
59.01368	1.0
59.14060	0.9
61.98833	1.2
70.51077	2.0
70.51453	1.8
74.99085	2.9
98.67445	0.9
118.59041	1.0
149.25096	0.9
155.70338	0.9
159.08475	11.0
161.06308	2.2
171.31052	1.0
209.01225	3.1
217.07249	1.3
248.77287	0.9
261.04239	1.1
275.05902	1.6
277.07532	2.7
291.09100	93.2
292.09238	12.4
357.13943	2.5
359.15344	100.0
360.15540	19.2
375.18539	11.2
376.18549	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
58.00571	0.8
59.01380	15.4
62.22762	0.4
71.01381	2.9
71.03061	1.0
72.67937	0.4
73.02943	1.4
75.00869	1.0
85.02943	1.3
87.04523	1.8
92.47350	0.4
101.02463	2.6
103.00372	100.0
104.00671	2.1
107.15316	0.5
111.04472	0.5
113.02455	1.6
117.31306	0.5
131.03528	1.0
131.73758	0.4
135.08171	0.9
137.09734	5.5
139.11282	0.6
155.10776	40.2
156.11079	1.9
169.12337	1.4
181.08696	1.0
199.09740	32.1
200.10004	2.2
213.11467	0.9
213.83328	0.5
241.10794	10.9
241.13177	0.9
242.11063	0.9
253.10730	0.6
257.70224	0.4
258.04745	0.4
271.11957	0.9
295.11911	1.2
312.08408	0.5
331.14063	1.5
375.12967	8.5
376.13293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1295
Annotation	Shermilamine D
Peak:m/z	Relative Intensity
52.25450	1.1
54.22724	0.9
55.98056	0.9
56.64870	0.9
57.03448	4.8
59.01382	16.4
61.09451	0.8
61.98829	7.4
68.99796	1.2
69.03447	4.0
71.01379	35.4
71.28320	1.8
72.99296	2.8
73.02944	3.3
73.63568	1.0
75.00871	31.4
83.01394	1.5
85.02955	10.9
87.00879	7.9
87.04504	4.2
89.02425	3.0
97.02943	6.6
99.00888	16.0
101.02453	1.7
103.00384	1.6
111.00866	3.8
113.02473	1.5
113.22350	1.0
115.04041	1.3
117.01929	1.7
120.99626	1.1
123.04509	1.4
129.01950	22.3
130.08734	3.1
131.03474	1.5
134.03728	2.4
135.08148	3.1
138.44312	0.9
141.01939	3.5
149.06117	1.8
151.15530	1.0
153.09207	35.1
154.09537	1.6
159.02965	5.1
172.26321	1.1
177.04039	28.5
178.04298	1.3
179.07104	1.4
195.05132	6.3
197.08173	17.0
216.14104	1.0
239.09245	2.9
243.12315	4.5
245.12967	1.1
316.80945	1.0
317.44595	1.0
331.13876	3.5
357.11826	3.4
375.12891	100.0
376.13275	9.9
376.22006	1.3
396.95389	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	65.0
60.01702	0.8
61.98821	1.5
71.49495	0.4
85.47608	0.4
90.97133	1.3
102.63980	0.3
108.41192	0.3
110.55399	0.3
114.98865	0.9
118.96639	0.5
132.98228	2.4
141.54483	0.3
156.99905	1.6
164.38297	0.3
171.97429	0.5
174.99239	25.4
175.99597	0.8
201.02524	3.5
202.02687	0.6
204.43597	0.3
217.00284	100.0
218.00575	3.8
231.23628	0.3
232.97498	0.3
282.10901	0.4
283.16904	0.3
314.98734	0.7
332.14594	0.3
332.98114	0.4
356.81735	0.3
374.99219	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89925	1.9
57.03448	2.9
59.01384	33.3
60.99320	12.9
61.98837	12.1
69.03438	2.6
71.01374	6.0
71.52086	2.1
85.02943	3.8
88.98806	100.0
89.02457	2.6
96.32294	1.5
101.02423	1.8
103.00388	3.5
108.04547	1.5
110.75348	1.5
113.02454	2.0
120.95848	1.8
120.99695	1.9
122.06136	3.3
123.00919	1.9
133.02972	9.2
136.07733	1.9
139.11299	1.7
149.02414	2.1
150.05588	2.5
151.00391	3.8
156.51350	1.6
175.03972	2.1
176.20816	1.6
187.09688	3.0
189.04372	2.1
204.06866	1.9
205.66977	1.6
239.11969	1.8
243.12190	3.1
248.97342	6.5
267.11404	11.2
285.04037	60.0
286.04449	5.4
299.10428	1.8
311.10275	5.0
315.13608	3.0
331.16385	1.8
343.13000	17.7
344.13458	1.9
374.26297	25.3
375.15503	2.5
375.20547	8.9
375.27295	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.5
61.98831	100.0
63.99249	0.8
69.85718	2.1
69.86111	1.4
112.90408	0.7
161.27101	0.6
164.00525	0.6
193.67999	0.7
227.43445	0.6
244.39238	0.6
312.31943	0.7
322.96378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71284	0.8
57.10965	0.8
59.01377	4.7
61.98831	100.0
94.47961	1.0
98.19786	2.1
161.93468	1.0
229.72217	1.6
266.71155	1.0
313.37878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	15.3
61.98830	100.0
69.49352	18.7
78.88282	3.0
89.02460	3.2
95.42374	3.1
117.94276	2.8
165.33974	3.4
350.19965	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	374.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.8
61.98832	100.0
72.40080	2.0
93.03439	3.4
98.97448	1.6
133.02950	3.0
134.03749	23.1
135.04529	7.5
147.04556	1.9
149.06082	33.3
151.00403	2.6
163.03976	3.6
195.03703	2.7
217.00235	3.0
217.04984	4.0
223.15369	1.7
251.76233	1.9
374.15698	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	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	41.6
61.98830	100.0
66.92580	2.7
71.51900	2.6
72.35194	2.7
81.82076	2.9
88.33481	3.4
93.44290	3.1
109.51736	2.9
143.01176	3.0
207.59645	3.3
241.85889	3.8
280.56790	3.2
280.67700	3.6
376.88974	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	374.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.9
61.98829	100.0
71.21274	1.2
81.66273	0.5
84.48498	0.5
87.27246	0.4
231.43217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2595
Annotation	oscr#24
Peak:m/z	Relative Intensity
50.55084	0.2
57.03450	1.6
58.54140	0.2
59.01377	2.4
61.98819	0.4
69.03466	0.4
69.46796	1.7
71.04988	0.4
73.02955	0.4
82.56407	0.2
83.05015	0.3
85.02975	0.3
85.69453	0.2
97.06593	1.7
111.08151	0.8
113.09725	0.8
123.08165	3.0
137.09756	0.3
139.11317	1.9
141.09200	1.0
141.12820	0.4
155.10710	0.5
157.12344	1.1
167.10640	0.4
169.12234	0.4
181.12369	0.4
185.11819	13.9
186.12152	0.9
187.20030	0.3
213.11334	0.6
214.12144	1.7
215.12759	0.4
263.65240	0.3
267.19620	0.5
327.21646	0.8
342.24750	0.3
352.98822	0.3
355.24829	1.1
356.25021	0.3
371.24286	1.3
373.25919	100.0
374.26273	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	374.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.5
57.47516	1.9
59.01379	100.0
61.66568	2.1
61.95061	2.0
68.01411	3.7
69.03457	4.2
69.99526	6.8
69.99940	4.5
71.01383	56.2
72.99298	7.7
73.02954	7.7
81.03460	5.2
83.01390	98.0
84.01715	3.2
85.02959	16.5
87.00875	6.7
87.04509	3.6
89.02445	79.6
95.01421	2.2
97.02967	6.7
98.20012	3.1
99.00868	7.0
101.02448	49.1
113.02452	25.3
119.03510	32.6
123.04511	4.2
125.02446	40.5
126.04602	2.1
127.04031	2.6
130.87650	2.6
131.03510	4.6
137.02434	3.6
143.03500	15.1
149.02386	2.7
149.04585	4.6
153.14719	2.1
155.03473	6.1
161.04529	9.5
167.03491	8.5
170.05246	2.4
179.05612	52.1
185.04550	2.7
203.05574	4.8
209.04550	3.1
217.96286	2.1
242.06671	3.3
263.07693	6.4
267.29932	2.1
329.08582	3.8
347.09845	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	373.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.3
57.03456	2.3
59.01120	0.4
59.01382	5.5
59.37977	0.3
61.98825	2.0
69.03454	0.6
71.01379	2.7
71.05025	0.5
73.02953	2.1
78.96998	0.3
83.01370	0.6
83.05048	0.6
85.02942	1.4
87.04515	0.5
89.02461	0.4
89.07191	0.3
97.06607	0.4
99.00853	0.4
101.02444	1.9
111.08209	0.5
113.02456	1.3
119.04926	0.3
121.02937	0.6
123.08150	0.9
125.09740	2.8
127.11266	2.3
129.01932	0.3
137.09712	2.2
139.11272	0.5
141.09195	0.4
143.10773	0.5
152.07219	0.4
153.09229	0.9
155.10751	2.1
159.27333	0.3
161.04533	1.2
169.12363	0.3
171.10269	8.5
172.07689	1.0
172.10672	0.4
173.07971	0.9
181.12349	0.3
183.10196	0.4
183.13820	0.3
185.07954	0.4
185.11812	0.8
199.13367	0.4
200.10481	0.3
201.14957	0.3
225.11340	0.4
229.14388	0.4
230.15169	1.0
243.12379	0.3
297.24414	0.3
313.23810	0.3
327.21771	0.7
329.26910	0.6
341.11346	0.3
355.17529	0.9
355.24881	2.1
371.24338	1.0
373.25928	100.0
374.26282	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	373.2596
Annotation	oscr#24
Peak:m/z	Relative Intensity
50.25925	0.5
57.03460	3.8
58.00592	2.3
59.01379	23.7
61.98537	0.8
61.98830	8.9
69.03478	0.7
69.38926	0.7
71.01379	3.1
71.05028	4.7
71.52388	0.7
72.02164	0.7
73.02951	25.7
81.03464	1.0
83.01382	0.9
85.02954	2.0
87.04520	17.5
91.62561	0.7
97.06570	0.8
99.08135	0.9
111.00937	0.7
111.08135	2.1
113.06135	0.6
113.09721	3.5
119.03365	0.6
123.08161	1.8
125.09738	2.4
127.11296	0.6
129.09201	0.8
130.08752	1.1
132.04533	1.3
135.04469	0.8
136.07664	0.6
137.02374	0.7
137.09705	2.1
139.07655	1.1
139.11302	5.3
141.09250	0.9
143.10757	2.8
149.09669	0.8
151.11256	2.3
152.07202	1.3
153.09212	4.9
153.12839	1.6
154.09468	0.7
155.10742	2.1
157.12323	1.7
160.66502	0.7
165.09239	0.8
165.90161	0.7
167.10831	3.6
169.12372	4.9
171.10249	1.1
171.13930	0.8
173.11815	3.6
181.12379	0.9
183.10219	1.6
187.13394	7.0
203.12796	0.7
215.12828	2.8
216.13628	1.7
217.14442	3.1
225.11432	1.0
243.12270	1.5
297.12512	0.9
311.19797	0.8
313.23886	1.5
325.23996	0.8
327.25571	5.4
328.25647	1.3
329.26962	27.6
330.27231	3.8
334.39020	0.7
341.11310	0.7
345.21552	0.7
355.18878	0.7
355.20300	0.7
355.24887	7.6
356.25351	1.0
373.15909	4.2
373.25925	100.0
374.26270	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	373.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.1
61.98828	5.0
63.78479	1.0
69.79062	3.7
80.02698	1.1
86.46645	1.1
90.26833	1.1
93.03445	1.8
148.08875	1.3
150.10564	1.8
158.06656	1.1
165.12845	22.8
183.10207	1.4
198.26381	1.2
244.10703	4.2
247.20699	13.8
273.18588	6.9
291.19659	100.0
292.20007	12.4
313.17838	15.7
314.18372	2.0
373.15076	3.9
373.19937	19.3
374.20139	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	373.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
59.01375	2.4
61.98829	2.3
69.03445	0.6
71.01366	0.4
71.05027	0.3
71.52902	0.4
73.02943	0.6
77.93079	0.2
83.05019	0.3
85.02948	0.3
97.06611	0.4
99.04631	0.2
110.40418	0.3
111.08146	0.6
113.06045	0.2
121.02990	0.3
121.06477	0.2
123.08145	0.9
125.09726	3.2
127.11280	2.2
137.09717	1.6
139.04233	0.2
139.07698	0.3
139.11292	0.5
141.09221	0.4
143.10736	0.4
153.09181	0.8
153.12842	0.7
155.10793	1.9
169.12352	0.3
171.10257	9.5
172.10626	0.4
176.65723	0.2
181.12360	0.3
183.10234	0.5
185.11813	0.5
200.10545	0.3
201.14929	0.4
225.11299	0.6
229.14470	0.6
230.15201	0.9
243.12344	0.4
327.21600	0.6
343.24985	0.3
355.24765	1.6
357.36765	0.2
371.24329	1.1
373.25919	100.0
374.15717	0.5
374.26251	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	373.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
57.38039	0.6
58.00595	0.9
58.87751	0.6
59.01378	18.4
61.98830	1.2
65.53999	0.5
71.01382	7.6
71.05018	9.8
71.52569	1.0
72.99310	0.8
75.00854	1.4
83.01373	0.9
83.05033	0.6
85.02946	1.8
87.04503	1.2
89.02492	1.1
103.00372	100.0
104.00691	1.9
111.00922	1.1
113.02501	1.2
120.99640	1.0
139.07578	0.7
139.11288	2.4
153.12869	4.6
155.10782	1.1
163.11305	0.8
169.86311	0.6
175.11272	1.4
181.12260	1.2
183.10231	2.4
193.12329	6.5
197.11839	9.5
199.09709	0.8
211.13457	2.1
225.11353	1.6
239.12889	6.1
243.12360	2.6
269.21164	0.6
325.56403	0.6
373.14987	15.5
374.15436	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	373.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74960	0.6
59.01382	3.2
71.48183	0.6
74.53805	0.5
80.05072	1.2
85.02983	0.8
94.06652	2.9
98.19909	1.1
103.00374	2.3
104.05067	8.4
107.03765	5.3
108.04553	8.7
111.00848	0.8
120.04552	0.7
122.06119	39.9
123.06438	0.9
124.07638	1.4
132.04553	78.8
133.04852	3.0
134.06128	4.7
139.02811	1.4
139.11314	1.7
144.04585	1.6
148.04051	5.9
150.05602	2.0
152.07167	95.0
153.07497	3.6
160.03995	1.0
166.05092	0.7
176.03525	10.0
176.92024	0.6
181.12419	0.7
183.10263	1.4
188.03494	2.0
190.05077	1.0
208.06107	4.1
225.11308	0.7
243.12395	2.1
269.12985	5.6
273.12457	6.3
278.57657	0.6
281.29459	0.6
297.12418	30.1
298.12689	2.8
309.94098	0.6
313.12045	4.1
341.11389	100.0
342.11728	10.7
373.14172	23.9
374.14401	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	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48618	1.3
59.01367	6.6
60.75330	1.5
61.98829	100.0
70.55856	3.0
70.56186	2.7
80.64597	1.4
83.01379	5.8
121.02958	2.3
166.54924	1.7
168.04330	2.4
197.16780	1.9
291.19894	1.5
372.15436	4.5
373.15079	4.7
373.27356	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	373.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06765	0.4
57.03439	0.5
58.00616	0.7
59.01378	13.3
61.98817	1.7
62.05697	0.5
71.01386	3.0
73.02945	1.1
73.31152	0.4
75.00874	1.2
85.02962	0.7
86.77737	0.4
87.04507	3.0
90.63887	0.5
97.02969	1.0
103.00370	100.0
104.00700	1.3
113.02477	0.6
115.03976	0.5
123.04468	0.5
135.08134	1.5
153.09207	16.2
154.09540	0.9
179.07117	0.9
195.10242	0.9
197.08167	13.1
239.09190	3.5
240.09824	0.5
269.10330	1.4
339.76071	0.5
347.74008	0.5
373.06284	0.7
373.11249	6.3
374.11929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
59.01373	6.2
60.29188	0.5
61.98840	3.6
61.99109	0.5
67.84092	0.5
68.62647	0.6
69.26479	2.3
69.26907	1.8
71.01381	2.3
80.05061	1.4
85.02936	0.8
89.02449	0.7
94.06597	2.8
99.00920	0.5
101.02452	0.7
103.00367	6.3
104.05061	6.6
106.06655	0.7
107.03780	5.1
108.04563	9.6
113.02437	0.9
115.00359	1.2
122.06120	33.7
123.06461	1.1
124.07682	1.6
130.08676	0.6
132.04553	72.2
133.01463	1.8
133.04858	3.2
134.06100	3.0
139.02736	1.2
143.11908	0.8
144.04550	0.9
148.04042	5.0
149.34581	0.5
150.05589	2.2
152.07170	84.2
153.07533	3.6
153.09221	1.0
160.04015	1.2
161.04601	0.6
164.07182	1.4
176.03503	8.2
183.10182	0.8
188.03537	1.8
197.11868	0.6
208.06181	2.6
239.12027	0.8
241.10797	0.9
241.14337	0.7
243.12251	2.8
269.12949	5.9
273.12393	7.3
297.12430	30.0
298.12564	3.3
313.12048	3.4
327.21906	0.6
341.11414	100.0
342.11728	11.6
373.14087	11.1
373.18735	2.2
374.14169	0.6
374.20428	0.6
376.21988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25372	1.2
59.01383	7.1
61.62368	0.9
61.98832	100.0
71.01373	1.3
71.52714	1.5
72.86099	1.0
79.95728	1.2
83.01389	13.6
84.01730	1.8
89.07815	1.0
118.59293	0.9
121.02959	2.8
135.78770	0.9
136.07704	0.9
161.02449	2.4
165.01903	1.8
167.10828	2.0
168.11069	3.8
183.10269	1.0
292.68848	1.1
341.11401	1.1
344.61563	1.2
372.15137	3.4
372.24548	2.1
373.15051	3.6
373.25839	8.9
380.95444	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.2
61.98829	100.0
69.75933	5.9
83.01397	1.7
100.60894	1.2
121.03037	1.4
131.30324	1.4
161.62637	1.3
188.63501	1.5
287.27701	1.4
373.14822	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86104	0.9
56.07615	0.8
59.01391	1.7
61.98829	100.0
65.59054	0.9
69.49358	5.4
71.23644	0.7
72.72094	0.8
74.82327	0.9
79.56033	0.8
82.96323	0.8
83.01366	1.4
83.14785	0.8
89.78954	0.7
102.43590	0.8
119.05976	0.8
139.01660	0.7
262.21274	0.9
265.55881	0.8
274.10739	1.3
331.95328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94157	1.5
55.79070	1.6
59.01374	3.1
61.98829	100.0
67.24946	1.7
70.74095	4.9
83.01387	7.9
119.46645	1.6
121.02952	3.0
168.90819	1.6
303.10962	1.9
304.69312	1.9
372.15350	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	371.2438
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
55.01892	1.5
57.03448	30.4
58.07151	0.9
59.01375	9.7
61.98538	1.7
61.98831	21.7
66.84494	1.3
69.03452	1.9
69.34921	4.4
69.35349	3.2
71.01392	4.0
71.05019	5.0
73.02962	2.8
77.95783	1.0
81.03463	1.5
83.01386	24.4
83.05025	2.4
85.02948	1.9
85.06589	25.6
87.04491	2.1
95.05051	1.5
97.06598	3.3
98.76648	1.1
99.08142	1.8
109.01019	1.0
109.02939	1.2
109.06632	1.1
111.08144	4.6
112.50874	1.1
113.09715	4.6
116.92818	1.5
118.92645	1.0
121.02943	13.5
123.04535	1.3
123.08162	1.3
125.09714	4.8
127.11311	1.9
129.09230	16.9
134.03746	16.3
135.04498	1.0
136.05287	7.6
137.02492	1.0
137.09721	3.5
139.11246	2.2
139.66211	0.9
143.10750	18.3
144.11125	1.8
149.06088	20.7
151.11292	2.2
153.12839	2.6
155.14377	1.5
160.05324	1.5
161.21141	1.1
164.04796	7.7
165.05203	1.6
165.12802	4.3
168.04268	2.2
179.14299	1.2
183.13873	5.5
191.07159	2.0
197.15474	11.5
207.17429	1.3
209.65866	1.0
223.17059	1.7
225.18581	1.3
227.03477	1.1
251.20049	2.2
255.03105	1.5
265.21646	2.0
282.09192	1.1
283.22723	7.7
284.03299	1.4
327.25372	44.1
328.25760	6.3
353.23352	4.8
371.15305	9.2
371.24365	100.0
372.15146	1.8
372.24731	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	371.2437
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
57.03436	3.0
59.01374	5.2
61.98827	7.0
71.01402	1.9
71.05011	6.0
71.52301	1.1
73.02946	23.7
80.57320	0.7
83.01384	16.3
83.04989	1.0
85.06587	3.5
87.04514	13.7
92.27782	0.8
97.06592	6.2
99.04511	2.1
101.06084	4.4
107.05038	1.1
109.06547	1.6
115.07642	2.6
121.02941	5.8
123.08168	2.0
125.06062	2.0
127.07677	1.5
129.09093	0.9
134.03688	1.3
136.05283	5.0
139.07623	2.0
141.09293	0.9
145.08696	4.6
153.12839	1.2
155.10699	0.8
159.10251	5.6
167.14406	2.6
168.04282	2.7
181.15950	3.7
183.13849	2.2
185.11864	1.0
187.09981	0.8
193.05096	0.9
209.15417	2.0
209.19109	1.0
211.16966	1.5
227.12830	2.5
235.09805	1.4
235.20557	1.6
243.15947	2.5
283.22833	3.1
311.10190	0.9
327.25385	11.2
353.23428	0.8
356.12662	1.9
357.10782	4.9
371.15332	7.6
371.24341	100.0
372.20398	1.4
372.24719	13.0
392.82614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1609
Annotation	GS-2
Peak:m/z	Relative Intensity
51.92089	0.3
59.01374	1.1
61.98832	11.1
63.16810	0.3
83.01389	5.7
83.66708	0.3
104.05117	0.3
104.37001	0.3
106.06602	0.4
108.08212	2.8
120.23886	0.3
121.02975	1.5
121.05340	4.5
123.00895	0.5
130.03018	1.6
131.03770	3.0
132.04561	10.6
133.04884	0.7
135.03244	0.8
136.05553	1.9
136.07681	100.0
137.08047	4.7
144.04539	0.4
146.06125	1.2
147.03198	0.6
148.03996	1.4
150.01955	0.8
152.03548	0.7
153.04311	3.3
158.02464	6.9
160.04002	0.6
162.05605	3.3
163.05908	0.4
168.04247	0.9
174.01868	0.4
175.02727	0.6
175.68980	0.3
176.03580	1.0
190.05093	29.3
191.05450	1.7
192.06689	1.0
202.05095	0.6
204.06651	0.4
222.07704	26.2
223.08064	1.7
234.07608	1.5
243.55847	0.3
279.11365	0.4
281.13010	0.8
304.18848	0.3
307.10397	0.3
311.13980	0.5
327.25327	0.7
339.13455	2.6
340.13928	0.5
343.16541	1.5
356.12665	0.5
371.16074	56.9
371.24066	2.0
372.16376	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	371.1611
Annotation	GS-2
Peak:m/z	Relative Intensity
59.01375	0.2
61.98835	0.5
69.55550	0.7
69.55957	0.4
83.01394	1.1
98.20644	0.2
100.45409	0.2
102.27027	0.2
103.34903	0.2
104.05058	0.2
106.06630	0.2
107.03799	0.3
108.08205	3.2
116.05090	0.2
118.02992	0.2
120.04558	0.3
121.02959	0.3
121.05337	6.8
122.05707	0.2
124.04047	0.3
130.02995	2.1
131.03780	3.3
132.04561	6.2
133.04930	0.2
134.06129	0.5
135.03293	0.6
136.07683	100.0
137.08025	4.8
139.85625	0.2
144.04590	0.2
146.06100	1.6
147.03256	0.8
148.04068	1.2
150.01927	0.4
152.03610	1.0
153.04323	3.1
158.02475	9.1
159.02811	0.4
160.04089	1.0
162.05602	3.7
164.07214	0.4
175.02710	0.3
176.03496	0.8
190.05090	31.7
191.05438	1.9
192.06683	0.5
202.05119	0.4
222.07713	25.5
223.08051	1.7
234.07719	1.2
251.11823	0.2
279.11295	0.4
280.12286	0.2
281.12924	0.2
305.06393	0.2
307.10831	0.2
311.14032	0.8
327.25327	0.6
339.13531	3.0
340.13867	0.2
343.16635	1.2
371.16086	56.2
372.16412	7.4
372.23862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
59.01376	7.2
61.98834	34.3
68.99822	7.8
71.01366	1.9
71.09535	2.6
83.01387	41.7
90.03490	5.8
93.03441	1.7
101.02442	3.0
104.05078	1.3
121.02955	12.5
123.00833	1.5
126.61565	1.2
134.02486	40.4
136.05309	11.5
136.07690	7.9
137.02431	4.9
137.71437	1.3
138.03188	1.2
148.07652	3.5
162.01941	5.0
168.04280	5.0
173.16319	1.2
175.02704	1.6
176.07143	3.6
190.05031	1.3
211.13382	1.6
213.06683	2.3
216.10225	2.8
235.09691	2.3
237.06636	5.7
238.07156	1.6
239.11867	3.3
241.09843	2.2
243.11356	27.3
244.11714	1.9
253.06061	2.5
265.09729	1.7
267.08401	2.5
267.11359	30.7
268.11621	3.0
269.09277	5.7
283.10901	11.3
295.07611	1.2
295.10931	3.3
309.08752	2.8
311.10361	23.8
311.22418	1.6
312.10623	2.2
337.08252	2.7
339.09839	100.0
340.10181	12.3
356.12592	5.7
371.15060	22.4
371.24084	2.5
372.15509	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	371.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00325	3.6
52.38227	0.9
54.36126	1.0
57.03449	2.0
59.01369	6.0
59.49603	0.9
61.98817	5.9
66.03484	39.3
68.01398	4.4
71.01376	3.3
71.27283	1.5
71.27640	1.6
72.00945	1.0
75.00858	3.1
78.95889	2.3
81.04620	1.1
83.01388	6.5
85.02933	2.8
87.00856	2.8
89.02428	3.0
91.68989	1.2
96.26234	1.0
96.96001	1.3
96.96934	1.5
99.00848	1.7
101.02425	2.0
101.25962	1.3
103.09043	0.9
110.02478	100.0
110.98521	3.2
111.02782	4.3
112.04034	1.1
113.02435	2.3
117.03515	1.9
121.02934	2.0
122.02504	1.0
129.01941	2.6
134.03743	19.4
144.46742	1.0
147.12158	1.0
149.06029	2.5
155.07140	3.6
193.05037	21.7
195.05095	12.6
219.99594	0.9
235.06104	1.2
249.06155	1.8
265.07190	2.3
320.95950	1.1
335.13397	11.2
336.13715	1.3
369.63083	1.0
371.09866	3.1
371.15057	2.8
372.18857	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59785	1.8
57.03440	5.8
59.01377	25.6
60.99331	2.0
61.98833	68.6
62.20974	1.9
67.01867	1.9
67.13893	2.2
68.99799	2.8
69.44214	13.4
70.44781	2.4
71.01385	35.5
72.99310	9.6
73.02943	2.7
75.00871	49.0
83.01388	2.7
85.02953	23.3
87.00881	14.7
89.02425	6.1
95.01389	4.3
98.20592	4.8
99.00890	23.8
100.29660	1.8
106.73476	1.8
113.02463	20.3
115.00406	3.8
117.01932	4.5
117.03447	2.7
121.02959	83.2
122.03288	3.2
129.01955	25.0
134.03755	40.4
135.65758	1.9
141.01888	2.3
149.06078	3.8
159.02989	4.8
164.44434	1.9
175.03874	2.3
176.04692	2.1
177.04068	24.7
189.04062	2.1
191.07169	3.8
193.05045	36.8
195.05110	66.2
196.05525	2.9
201.54024	2.0
231.05096	4.6
235.06094	3.8
249.06166	62.1
250.06401	4.8
295.77701	2.1
311.65173	2.1
371.09802	100.0
371.22650	2.3
372.10406	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	371.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01379	3.4
61.98830	100.0
68.90157	0.4
69.68060	1.2
69.68469	0.7
71.01382	2.3
72.99335	0.4
75.00880	3.5
83.01398	0.5
85.02948	1.9
87.00883	1.1
95.01418	0.5
98.20641	0.5
99.00900	1.4
104.44370	0.4
107.41144	0.3
113.02460	1.1
115.07817	0.4
120.33859	0.4
121.02963	4.2
125.68598	0.3
127.05141	0.9
129.01944	2.2
130.08757	0.7
134.03764	2.6
149.00903	0.4
177.04083	1.3
193.05118	2.4
195.05070	3.9
198.15219	0.3
202.77460	0.3
225.13742	0.4
231.05016	0.5
244.92349	0.4
249.06145	3.3
355.09927	0.4
371.09830	5.7
371.14206	0.5
371.22949	0.6
372.21585	0.6
386.85522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82500	1.4
57.03453	8.7
59.01378	17.6
61.98826	27.5
69.03466	2.8
71.01379	40.6
71.25023	2.0
71.25345	2.2
72.87196	1.6
72.99297	4.4
75.00870	55.4
83.01392	3.2
85.02961	14.2
87.00865	13.0
88.31614	1.5
88.50840	1.4
89.02422	5.7
97.02954	1.7
99.00883	25.4
111.00872	2.1
113.02448	3.9
117.03442	6.8
121.02962	16.5
129.01939	37.9
131.03444	3.3
134.03732	64.4
141.01878	2.0
149.06059	5.4
159.02966	6.9
160.01656	2.5
163.50568	1.7
175.03978	5.8
176.04765	2.8
177.04034	36.2
178.02632	1.7
188.79811	1.6
191.07127	4.9
193.05051	62.0
194.05328	4.1
195.05087	98.4
196.05403	3.8
231.05135	1.8
232.85374	1.6
233.08138	1.7
235.06125	5.3
249.06195	11.1
276.05032	1.5
295.08200	3.5
332.83929	1.7
353.08667	4.1
371.09799	100.0
372.10135	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	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67156	3.4
56.22138	3.2
57.69725	3.5
59.01367	7.9
61.98832	100.0
62.99731	3.3
69.87582	8.1
69.88000	11.0
83.01394	49.8
90.53310	3.8
121.02981	12.3
123.43949	3.3
136.05264	12.3
168.04225	6.5
168.70644	3.2
276.80762	3.4
278.21896	5.1
295.22794	4.8
296.23044	26.3
356.12634	4.3
371.14874	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98283	0.6
57.23838	0.5
59.01378	1.0
61.98829	100.0
64.85178	0.5
70.74200	1.0
76.84462	0.4
83.01386	3.9
99.92533	0.6
121.02969	2.4
136.05362	0.7
141.85022	0.5
168.04362	0.7
174.27664	0.5
197.32808	0.5
237.41281	0.6
297.44196	0.5
339.44016	0.5
371.14871	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
56.34753	0.3
57.03439	1.2
58.00591	0.4
59.01379	3.1
61.01776	0.3
61.98830	4.4
67.49670	0.3
69.03448	0.8
71.01379	1.8
71.51888	0.3
73.02945	100.0
74.03280	2.2
75.37672	0.3
77.77611	0.3
79.05544	0.5
81.07105	1.8
83.05024	1.4
85.02957	0.5
95.05012	1.2
97.02946	0.5
97.06580	2.1
102.98605	0.4
103.00381	0.8
103.04008	0.4
104.05063	2.5
107.05031	1.5
109.06553	0.4
110.03725	1.8
111.08170	0.4
113.06075	0.7
117.64437	0.3
125.06086	8.5
134.03716	0.3
136.07680	2.5
137.09746	0.4
138.09804	0.3
147.03270	0.4
148.04008	1.1
148.05325	0.7
149.06100	3.0
151.11281	0.7
163.07643	0.6
163.11391	0.3
169.12263	0.3
176.03493	0.9
180.85278	0.4
181.12306	0.5
188.03581	0.4
195.13936	0.4
199.09767	0.9
207.10248	0.6
209.64456	0.3
254.61485	0.4
297.12491	1.3
325.11893	1.8
351.21799	0.8
369.22794	72.3
370.23120	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	370.187
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
70.74102	1.8
70.74429	1.0
75.33849	1.0
83.01389	7.9
105.77312	0.9
105.90282	0.9
121.02940	1.5
128.90494	0.9
130.48822	0.9
132.79259	1.0
136.05315	1.6
168.04269	1.6
184.04645	1.1
297.00870	1.1
369.55978	0.9
371.14935	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2282
Annotation	Platenolide II
Peak:m/z	Relative Intensity
51.44552	0.6
55.01868	1.1
59.01382	6.5
61.98832	16.9
71.01386	1.7
71.52389	1.0
73.02946	100.0
73.90865	0.7
74.03288	1.8
83.05019	1.1
83.76339	0.7
85.02943	0.8
97.06592	1.2
102.98587	2.3
103.00383	2.0
108.66146	0.7
111.58170	0.7
125.06091	8.5
134.03772	1.0
163.11293	0.9
181.12337	2.2
207.13881	1.3
255.16011	50.7
256.16476	4.9
281.17554	17.3
282.17844	1.8
333.20801	1.0
339.09790	1.2
351.21857	7.9
352.22153	1.3
369.14679	2.6
369.22821	31.6
370.23007	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	369.228
Annotation	Platenolide II
Peak:m/z	Relative Intensity
55.01865	1.1
56.34753	0.3
57.03439	1.2
58.00591	0.4
59.01379	3.1
61.01776	0.3
61.98830	4.4
67.49670	0.3
69.03448	0.8
71.01379	1.8
71.51888	0.3
73.02945	100.0
74.03280	2.2
75.37672	0.3
77.77611	0.3
79.05544	0.5
81.07105	1.8
83.05024	1.4
85.02957	0.5
95.05012	1.2
97.02946	0.5
97.06580	2.1
102.98605	0.4
103.00381	0.8
103.04008	0.4
104.05063	2.5
107.05031	1.5
109.06553	0.4
110.03725	1.8
111.08170	0.4
113.06075	0.7
117.64437	0.3
125.06086	8.5
134.03716	0.3
136.07680	2.5
137.09746	0.4
138.09804	0.3
147.03270	0.4
148.04008	1.1
148.05325	0.7
149.06100	3.0
151.11281	0.7
163.07643	0.6
163.11391	0.3
169.12263	0.3
176.03493	0.9
180.85278	0.4
181.12306	0.5
188.03581	0.4
195.13936	0.4
199.09767	0.9
207.10248	0.6
209.64456	0.3
254.61485	0.4
297.12491	1.3
325.11893	1.8
351.21799	0.8
369.22794	72.3
370.23120	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	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16295	0.8
57.02418	0.9
58.00580	0.9
59.01380	20.6
69.86015	4.2
71.01373	4.3
87.00871	4.7
89.02422	1.4
103.00372	100.0
104.00695	1.3
115.00391	4.9
117.03465	3.7
131.96878	0.8
133.02948	1.4
134.03741	38.0
135.04478	1.9
147.04547	2.1
149.06078	2.9
160.01669	8.4
162.03261	1.0
174.03186	1.4
175.02455	5.9
175.03995	10.1
176.04750	3.4
189.05606	1.0
191.07149	5.5
193.03481	7.5
193.05048	17.1
202.02716	1.9
206.05756	1.1
207.06609	2.2
215.66568	0.9
217.05042	11.6
221.08157	2.7
235.06065	4.3
265.07162	24.7
359.48581	0.9
369.08246	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	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69454	0.8
53.48402	0.6
59.01377	18.3
64.98949	0.7
69.71652	3.7
71.01381	3.0
73.02928	0.9
75.00867	1.1
76.06645	0.7
85.02946	1.2
87.00864	2.8
89.03960	1.0
91.53961	0.6
98.20629	1.3
103.00372	100.0
104.00713	1.4
113.02425	0.8
115.00382	4.7
117.03459	2.9
132.86789	0.7
133.02948	1.2
133.95604	0.8
134.03738	33.6
135.04529	1.8
147.04544	0.9
149.06081	4.2
160.01668	6.9
163.04034	1.3
175.02461	7.1
175.04018	11.7
176.04759	3.4
178.02632	1.2
191.07141	5.2
192.04303	0.7
193.03481	3.3
193.05043	17.1
202.02728	1.2
207.06625	2.8
217.05045	11.7
218.05409	1.1
221.08199	2.6
235.06155	4.3
265.07162	27.1
265.09909	1.5
266.07541	1.5
308.71432	0.7
315.64856	0.7
369.08154	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	19.2
69.42807	6.6
70.48865	0.8
71.01383	1.9
73.02934	1.3
75.00870	1.6
85.02971	1.4
87.00871	3.3
98.20628	1.3
103.00373	100.0
104.00712	1.6
111.90244	1.0
115.00394	3.1
117.03475	2.6
121.84284	0.9
123.04529	1.0
127.00356	1.2
133.02925	1.4
134.03748	32.4
135.04469	1.9
136.01588	0.9
139.85005	0.8
149.06090	3.4
151.03923	1.2
155.89357	0.8
160.01654	7.8
175.02473	5.7
175.04005	11.5
176.04759	3.3
178.02661	0.9
186.91560	0.9
191.07103	5.2
193.03514	2.1
193.05043	17.6
202.02692	1.8
202.58853	0.9
207.06572	2.1
208.34442	0.9
217.05043	9.7
218.05516	0.9
221.08159	3.6
235.06125	3.8
265.07156	21.4
266.07523	2.9
300.79489	1.0
339.35052	0.9
339.39609	1.0
369.08340	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00321	3.1
59.01379	15.4
61.98835	10.0
66.03144	1.8
66.03487	31.8
67.03809	1.6
68.01416	5.0
70.10555	4.3
71.01380	5.6
73.34922	1.0
75.00904	1.1
76.03881	0.9
76.27288	0.9
76.68943	0.9
78.95894	3.2
79.76858	1.0
83.01342	1.0
85.02930	1.7
87.00886	1.8
89.02435	3.6
96.95985	2.8
98.02441	0.9
101.02447	2.3
103.00372	23.9
107.65239	0.9
110.02480	100.0
110.98482	1.5
111.02814	3.3
113.02443	1.7
115.00357	3.5
125.02439	7.1
134.03738	6.5
147.06633	1.6
160.01604	2.3
161.04477	1.7
162.24037	0.9
166.05115	1.6
169.00017	1.3
169.01419	19.8
170.01810	1.5
175.02435	2.7
175.04015	3.6
177.05482	1.1
184.06161	2.1
193.03458	2.1
193.05011	2.9
217.05042	2.5
235.06114	2.7
265.07202	3.0
273.47043	1.0
292.19037	1.1
331.06631	3.8
369.08084	1.7
369.12393	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2638
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
58.17654	1.2
59.01369	1.5
61.98827	1.8
64.18024	1.3
71.50674	1.2
149.09718	77.0
150.10046	4.4
205.15965	80.9
206.16321	5.3
261.22485	1.2
367.26419	100.0
368.26730	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	368.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90007	0.4
57.03440	0.5
59.01375	0.7
61.98827	0.7
69.24673	1.2
69.25092	2.1
69.29120	0.4
71.01385	1.4
72.04539	0.5
72.99319	0.5
75.00443	0.4
83.01385	2.2
84.01698	0.5
96.94193	0.3
98.20689	0.6
100.04049	11.7
101.04350	0.5
102.05610	20.0
103.05947	0.5
113.41090	0.4
121.06606	1.4
137.09718	37.2
138.10043	2.5
146.04590	5.1
149.09708	1.0
151.11340	0.6
161.98244	0.4
167.14484	0.5
168.67108	0.4
206.12689	1.0
221.08034	0.4
221.11871	0.4
239.12875	100.0
240.13208	8.3
255.02792	0.5
256.03162	0.4
282.17386	0.5
284.02835	0.6
368.17136	8.4
369.17499	0.7
392.30759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63391	0.8
58.00593	0.8
59.01377	19.6
69.77921	2.5
69.78331	1.4
71.01379	2.5
72.99319	0.7
85.38763	0.6
87.00909	1.1
89.02447	1.1
103.00372	100.0
104.00723	2.2
115.00370	2.1
117.03508	0.7
126.77379	0.6
132.02168	1.5
133.02902	0.8
134.03740	21.6
135.04485	0.6
147.04518	1.1
149.06075	2.4
160.01671	8.3
175.02467	2.5
175.04004	8.2
176.03271	0.6
176.04764	3.5
191.07121	2.3
192.04248	0.7
193.03502	6.6
193.05109	8.6
194.05496	1.2
202.02789	0.8
207.06670	0.7
217.05016	6.7
218.05292	0.9
221.08206	2.6
235.06064	1.9
265.07175	12.5
266.07510	1.1
369.07901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.6
61.98833	100.0
70.02266	8.0
91.54510	2.1
98.19925	1.9
109.91293	1.6
116.31984	1.8
186.29697	1.9
216.86110	1.9
222.09117	3.5
292.74258	1.9
336.91779	1.9
367.16425	5.9
367.22617	3.4
368.17096	2.2
376.06015	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	367.197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01708	1.2
61.98826	8.0
65.46809	0.7
71.01383	9.1
71.51324	0.7
72.99309	0.6
73.02953	2.6
83.01397	2.6
85.02964	3.9
86.60436	0.5
87.00877	1.2
88.04053	0.7
89.02451	3.8
95.01407	0.9
95.74497	0.8
96.00921	1.0
96.70766	0.6
99.00907	1.6
101.02438	6.9
103.00375	0.8
113.02439	3.4
115.00431	0.9
115.07658	1.0
116.10818	0.6
119.04997	1.4
125.02447	0.6
134.03755	2.8
152.07141	1.3
153.66530	0.7
159.02982	0.9
161.04547	7.7
162.02216	0.8
163.96379	0.7
193.05167	1.1
205.12355	2.6
256.45117	0.6
307.17642	15.3
309.66248	0.7
349.65591	3.0
350.16077	1.7
358.17249	0.9
367.67767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1662
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
56.50712	0.4
57.77757	0.4
59.07079	0.4
61.98813	0.6
70.66234	1.1
77.51118	0.4
87.04530	0.5
89.79753	0.4
91.05538	0.9
92.05058	57.0
93.05390	1.5
97.76614	0.4
100.07681	60.9
101.08007	1.1
103.05508	0.5
106.06685	0.5
116.05081	0.6
118.03002	1.6
125.24967	0.4
131.03694	0.4
132.08183	0.6
136.04041	81.7
137.04376	2.9
138.07808	0.4
144.04553	3.4
147.04488	1.0
161.07240	2.1
162.09261	1.4
192.08246	0.4
194.09756	1.6
202.12375	2.9
204.13905	3.6
222.09229	57.1
223.09570	4.7
248.12810	0.9
253.13591	0.6
354.76956	0.4
367.16589	100.0
368.16934	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	367.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.5
57.03453	4.1
58.00589	0.8
59.01376	31.9
61.98839	2.9
69.03438	0.9
69.55933	3.5
71.01382	52.8
72.99320	1.8
73.02945	28.9
75.00870	1.7
83.01387	10.9
85.02950	28.0
86.00089	0.8
87.00883	3.0
89.02439	12.5
95.01389	3.4
97.02965	2.1
99.00874	10.1
101.02440	57.4
102.02769	1.1
111.00896	1.1
113.02452	19.4
114.02760	0.6
115.04007	0.7
115.92051	0.9
116.92126	0.8
119.03526	1.4
125.02482	3.4
129.01953	2.1
131.03462	3.4
141.03554	0.6
143.03496	2.0
143.07133	0.9
149.04553	1.3
159.03003	4.7
161.04550	21.0
179.05644	0.6
233.06703	1.9
235.11855	96.6
236.12253	6.1
274.45560	0.7
355.38928	0.6
367.16046	100.0
368.16364	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	366.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
61.98829	100.0
71.01356	0.3
71.51949	0.2
71.52373	0.3
72.99324	0.6
75.00886	0.4
83.01388	0.7
84.77458	0.2
89.02444	0.5
93.23724	0.2
112.98804	0.3
115.07642	0.3
117.01931	0.6
119.05019	0.4
135.02997	0.2
139.07608	0.2
142.08768	0.8
142.99860	0.8
149.06230	0.3
151.27512	0.3
167.07130	0.7
173.00928	0.8
174.01732	0.8
175.03983	0.3
193.05128	0.5
193.34355	0.2
195.13634	0.2
198.45451	0.2
223.13460	0.4
225.07735	0.7
241.14392	0.7
271.08383	0.3
349.10071	0.3
350.71567	0.2
366.14883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.72104	0.3
59.01377	4.0
61.98829	5.2
69.86439	1.0
71.01379	5.7
72.99306	0.5
73.02944	2.5
75.04279	0.3
82.02991	0.9
83.01385	1.2
85.02934	2.8
85.24784	0.3
87.00873	0.5
89.02458	1.5
90.98577	0.4
94.02963	0.4
95.01385	0.4
98.02477	1.5
99.00890	0.8
99.92587	11.4
100.92683	0.6
100.93363	7.2
101.02449	6.4
103.00378	0.5
109.93388	0.5
113.02450	1.9
115.92078	100.0
116.92088	6.8
116.92879	3.0
117.92519	0.4
119.03499	0.4
119.05072	0.4
121.02956	0.5
124.00755	0.5
125.02410	0.6
125.92908	1.7
131.03671	0.5
132.92355	1.0
134.03757	0.6
159.02968	0.4
160.04068	0.3
161.04564	2.0
165.96014	1.0
167.97568	1.1
193.05028	0.4
193.95486	1.6
222.97029	0.7
235.11853	8.2
236.80302	0.3
237.99799	0.4
240.01291	0.4
260.09277	0.4
268.00687	1.7
286.01776	5.1
287.02026	0.7
304.02805	14.3
304.08127	0.6
305.02960	1.9
322.03806	0.7
336.01810	12.5
337.02026	2.3
366.02875	0.4
367.11816	0.7
367.16061	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	365.2695
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01390	0.6
71.35265	0.8
85.06586	2.7
96.03234	0.5
116.92870	0.9
147.48662	0.6
151.71231	0.6
199.13387	2.2
203.99753	0.6
261.18652	1.0
279.19632	18.9
280.20029	1.1
303.27039	0.5
336.02179	0.5
347.25952	5.8
348.26248	1.1
348.83560	0.6
358.16782	0.6
365.26947	100.0
366.27304	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	365.2694
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
55.01881	0.4
59.01374	0.8
61.98832	0.8
71.05019	0.5
116.01115	0.4
116.92874	1.2
136.35982	0.3
153.12796	0.4
155.14485	0.9
156.97382	0.4
161.09705	0.4
163.11314	1.1
165.12840	1.9
181.12318	1.6
199.13390	28.5
200.13731	1.8
209.11794	0.6
279.19690	0.4
284.37527	0.4
289.12613	0.4
347.25888	5.5
348.26367	1.0
363.25528	0.8
365.26941	100.0
366.27292	14.4
366.31964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.8
59.01379	100.0
60.01711	1.0
71.01380	6.9
72.99287	0.9
73.02950	1.3
83.01382	1.7
85.02974	3.0
89.02430	5.2
98.20770	1.3
99.00896	0.7
101.02441	5.1
113.02432	3.3
119.03523	2.1
151.04013	0.8
161.04553	3.4
161.31168	0.7
179.05617	1.0
181.75989	0.6
185.11842	0.9
203.12895	4.8
219.35727	0.6
305.16040	10.3
362.79556	0.6
365.13608	0.7
365.18085	17.2
366.18500	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30718	29.6
59.01368	39.3
59.51592	25.1
61.98831	65.1
65.14735	31.0
70.29374	100.0
72.47063	27.6
84.93919	27.5
86.72588	28.5
89.49417	24.9
98.20034	37.3
101.53388	27.2
136.03252	27.2
141.31738	28.4
283.26364	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.9635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91841	0.3
59.01381	2.7
61.98828	100.0
69.26556	2.1
69.26983	1.1
76.37623	0.4
86.76923	0.4
91.48080	0.3
112.64332	0.4
135.95673	0.8
143.05168	0.3
157.15805	0.3
180.94159	7.8
195.84076	0.4
206.97447	4.6
219.97766	1.8
220.97852	0.7
220.99646	1.7
222.95192	81.1
223.95177	0.9
223.97066	1.7
364.96515	0.5
371.95880	0.4
383.72748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16317	0.7
57.03443	2.7
59.01380	16.7
60.60596	0.7
61.98832	5.1
65.68224	0.7
69.22620	4.2
69.23042	2.3
71.01386	12.9
72.87377	0.8
72.99298	3.2
73.02934	1.6
75.00875	15.5
82.77523	0.7
85.02948	14.7
87.00880	6.3
87.20824	0.6
89.02457	2.7
93.03460	0.9
95.01402	4.3
99.00879	7.8
100.96093	0.7
103.00369	1.8
109.79245	0.8
113.02454	21.1
115.00359	1.3
115.07649	100.0
116.07966	3.7
117.01949	2.8
119.05022	3.9
120.05367	1.6
129.01915	3.1
163.04042	3.6
164.04291	1.3
175.02477	3.0
196.03058	0.7
205.07066	0.9
231.05113	1.9
249.06151	14.5
249.08551	1.4
250.06337	1.0
267.07230	2.0
275.60590	0.7
305.12286	1.4
347.13394	3.2
365.14496	73.1
366.14819	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91009	26.6
59.01369	84.1
59.40780	31.7
61.98831	71.2
68.23057	28.6
69.84109	100.0
69.84515	43.6
73.17902	30.7
113.28738	30.5
116.92829	42.3
132.25014	30.0
299.36411	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	100.0
61.98827	38.7
71.51314	27.1
93.34751	26.5
216.92653	29.1
226.17194	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	364.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38339	3.5
59.01379	100.0
60.01705	14.8
61.01810	5.9
61.98830	87.5
63.05286	4.6
71.44103	4.4
71.51306	7.9
83.81032	4.0
116.92863	8.5
161.60945	3.9
180.04749	4.1
219.06970	17.1
220.07182	14.6
288.13486	14.4
302.17017	5.2
303.16507	13.2
304.16635	99.4
305.16550	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	364.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	10.2
59.01382	8.6
69.34110	8.0
71.01378	2.2
72.00873	4.4
73.04089	7.7
74.99067	1.4
82.06564	1.1
83.17929	1.0
87.00753	1.3
91.05496	4.7
93.03423	1.7
103.05532	1.7
108.79246	1.2
111.85573	1.2
112.07587	1.6
118.97985	1.9
119.08688	10.7
120.68259	1.1
121.06483	1.7
129.10336	14.8
130.08664	2.0
134.03557	1.1
137.09720	30.4
140.07066	3.2
141.10255	3.0
142.08734	63.1
143.09033	2.8
147.04517	15.7
158.03709	1.7
161.09605	2.3
164.07164	42.6
165.07440	1.6
167.14276	1.2
168.11267	4.8
169.09727	2.6
171.04501	1.1
177.12816	9.0
186.12479	39.3
187.12663	1.2
199.10747	5.1
202.02731	10.9
216.13676	1.4
221.11847	15.6
222.12024	2.5
233.16606	11.5
239.12878	100.0
240.13245	6.8
279.81479	1.1
290.18491	4.7
334.17746	7.1
346.17896	1.7
364.18399	80.6
365.08380	5.3
365.18527	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.03437	0.7
59.01378	17.5
61.98827	3.4
69.03452	0.5
69.94707	2.3
71.01382	14.1
72.99310	13.4
73.02949	4.7
74.99087	1.5
75.00874	1.0
77.49380	0.5
78.95893	0.8
82.95461	0.5
83.01392	4.4
85.02951	7.2
87.00892	3.0
89.02444	3.9
90.98593	2.4
91.05513	0.6
95.01390	1.0
97.02934	0.7
98.02483	0.6
98.19943	0.7
99.00889	2.1
101.02441	12.5
111.00832	0.6
113.02442	4.3
118.98057	3.4
119.03483	1.3
119.05022	1.1
120.99693	0.7
130.08690	0.8
132.33743	0.6
134.03746	0.9
135.04501	1.0
147.04578	0.7
149.06073	1.5
152.99593	1.1
155.10832	0.5
161.04544	1.4
163.04025	0.7
165.05511	0.9
167.07109	2.5
169.72310	0.5
179.03496	0.7
179.07155	1.9
183.10202	3.0
201.11353	3.5
215.11099	0.8
232.05750	0.5
233.12256	0.7
244.65021	0.5
245.04253	1.0
267.07056	1.1
286.09305	0.6
345.15500	2.1
363.16592	100.0
364.17001	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	363.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14777	0.4
55.01873	0.7
57.03444	1.4
58.00583	0.7
59.01378	19.4
59.15345	0.4
60.01686	0.5
61.98845	0.9
69.24805	0.5
71.01378	15.3
71.51564	0.4
72.99306	11.9
73.02943	2.9
74.99096	3.5
75.00861	0.6
81.88528	0.4
82.02954	0.5
83.01389	2.7
85.02954	5.8
86.02476	1.4
87.00855	3.7
89.02448	8.2
90.98595	6.4
95.01395	1.0
95.05025	0.7
96.39844	0.5
97.58134	0.4
99.00874	1.3
101.02438	11.3
102.97955	0.4
102.98614	1.1
105.00149	1.7
108.04546	1.5
110.39817	0.4
111.00903	0.6
113.02441	5.1
113.80755	0.5
118.98079	7.4
119.03489	2.8
120.66106	0.4
120.67011	0.4
123.03248	2.3
134.03688	0.4
135.04532	1.1
136.07671	5.1
138.05615	11.9
139.11259	1.0
145.03018	0.5
146.03662	0.8
149.06053	0.7
151.11264	0.5
157.88403	0.5
161.04558	0.7
164.07121	1.8
165.09193	0.6
167.07146	1.6
172.10858	1.4
178.01753	1.6
179.07272	0.4
179.08998	1.2
182.04613	0.8
183.10258	8.8
184.10605	0.8
197.09996	1.6
201.11336	4.8
202.11755	0.5
212.05887	0.8
214.12332	1.0
215.09344	0.5
215.11028	2.1
227.08205	4.0
233.12172	4.3
242.10626	3.5
257.12933	26.1
258.13278	2.3
259.09927	0.9
267.07132	1.2
277.11130	1.5
287.10336	1.0
298.96103	0.4
320.15662	0.8
331.09232	0.6
345.10883	3.7
345.15274	0.8
363.16583	100.0
364.16956	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	363.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09635	0.7
53.20629	0.8
56.44499	0.8
58.97195	0.7
59.01379	3.1
65.77464	0.7
67.49615	0.8
71.01375	0.9
71.05646	2.0
74.99112	2.0
85.02945	0.9
87.00867	1.6
90.88486	0.8
93.03454	0.8
98.08617	0.8
107.05022	1.4
108.02180	4.0
111.04543	1.2
112.42218	0.7
114.54403	0.8
118.98080	4.3
119.04982	0.7
121.02954	12.0
122.03754	13.1
123.04632	0.8
134.03746	23.7
135.04539	9.7
137.02496	1.1
137.06085	1.7
146.03740	21.5
147.04269	2.0
149.06071	40.6
150.03229	2.5
150.06442	2.5
154.02768	2.1
161.06068	12.8
164.04822	10.8
165.05568	21.2
166.06334	16.4
167.07140	100.0
168.07458	5.0
177.05492	1.2
179.07141	58.7
180.07434	3.3
193.08658	2.4
209.08165	0.9
221.08188	12.7
222.08444	1.3
315.12302	8.8
327.12350	9.0
328.12668	1.4
364.18665	1.1
375.07898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.1
61.98831	100.0
71.01391	3.3
71.96542	0.7
73.02967	1.1
75.00877	1.0
83.01414	0.8
84.68919	0.8
85.02980	1.4
87.00867	0.9
93.39210	0.7
101.02467	2.5
103.00417	1.5
113.02428	1.1
123.04495	0.7
150.03235	1.8
155.10776	0.9
156.11119	1.3
161.02422	8.3
162.26184	0.7
165.05612	5.6
198.47928	0.8
201.14948	8.3
234.11285	0.7
362.12448	0.8
362.19031	1.6
363.20242	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.2
61.98832	100.0
69.35197	5.9
69.35593	1.3
71.01379	2.5
71.47027	0.8
73.02935	0.9
77.46072	0.7
85.02952	0.9
87.04490	1.1
100.97337	0.7
101.02448	1.1
103.00400	0.8
115.43394	0.7
119.84573	0.7
137.09682	1.3
138.10066	1.9
155.10782	9.7
156.11113	9.7
157.11331	0.9
184.14240	0.9
199.09769	8.3
200.10097	13.1
201.10368	0.8
206.08586	0.8
227.86751	0.8
241.10727	1.5
242.11229	2.4
302.13190	1.5
320.17950	1.4
348.27951	0.8
363.20355	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	363.12
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85816	1.1
57.03440	2.8
59.01379	12.0
61.98828	25.6
65.49831	1.1
65.99847	1.9
67.18404	1.1
69.51659	7.9
71.01381	7.2
72.99291	1.9
74.99104	3.0
75.00876	5.0
82.02985	36.6
83.01389	3.9
85.02960	6.6
87.00882	4.1
89.02443	2.0
94.02979	3.0
95.01360	1.8
98.19942	2.3
99.00887	3.2
100.79287	1.1
103.00392	1.3
107.74718	1.2
110.02555	1.2
112.33395	1.2
113.02454	7.6
113.06101	7.6
116.07214	5.6
116.22832	1.3
117.07526	1.8
118.98073	7.7
122.02476	1.7
122.06109	7.2
126.81454	1.2
129.01958	1.5
136.04050	26.4
136.07684	2.4
137.04454	1.4
137.09723	2.0
142.08768	3.6
152.03604	1.6
160.07669	1.8
164.03537	43.2
165.03862	2.4
175.31517	1.2
176.07104	2.4
180.03006	2.5
182.04492	1.2
188.07314	1.6
194.04599	21.1
195.05350	7.4
196.06151	24.1
197.06525	2.5
202.08720	2.7
204.06526	2.5
215.06055	1.1
217.06157	1.9
221.11870	1.6
228.06697	2.4
231.07730	2.1
239.12889	5.3
244.09837	6.6
245.09325	4.5
249.06172	7.1
258.06384	2.5
259.07086	2.5
259.10938	1.3
267.07205	13.2
269.09271	2.0
270.07745	5.3
271.07120	2.9
287.10373	100.0
288.10846	10.2
291.09845	2.0
300.19626	1.5
313.08499	2.8
319.12982	3.3
331.09335	49.0
332.09720	5.5
363.12677	18.0
363.17188	2.0
363.20563	5.9
364.13242	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	362.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70457	1.0
51.02263	0.8
54.79840	1.0
59.01376	11.3
61.98830	100.0
63.52584	0.8
64.42812	1.0
71.01410	1.7
71.51248	1.3
76.94663	1.0
76.95196	0.8
78.95900	1.1
87.00845	0.9
96.96026	2.1
96.96964	3.3
101.02420	1.0
102.98600	1.1
103.00373	1.8
113.02430	1.6
119.05025	2.8
121.02928	0.9
137.02376	2.1
145.02986	1.9
154.01381	1.3
156.61002	0.9
163.03972	3.0
185.02185	2.0
256.67191	1.1
359.96271	1.0
363.07565	1.7
388.68384	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86193	0.6
59.01379	100.0
60.01722	0.9
61.98833	1.1
69.84062	2.2
69.84471	1.4
72.93903	0.6
73.02951	0.9
78.85473	0.7
91.70847	0.6
94.58966	0.5
97.56276	0.6
113.02504	0.8
119.05031	1.3
140.07182	13.4
142.28723	0.6
162.55409	0.7
163.03963	1.5
164.04424	0.9
302.12436	1.5
319.99442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02021	0.6
59.01386	5.9
61.98830	100.0
66.03477	1.3
71.01395	2.0
71.50070	1.0
80.38691	0.6
85.02947	0.8
89.02454	1.8
96.96021	0.7
97.95087	0.5
101.00256	0.5
101.02451	1.7
110.02462	3.6
113.37303	0.5
119.03476	0.7
123.00888	2.6
124.01212	1.0
129.91826	0.6
137.03581	0.6
138.03197	1.5
139.03831	0.6
161.04597	0.6
173.48091	0.4
179.05714	1.4
181.22548	0.5
184.06163	0.8
195.52324	0.6
234.55217	0.5
302.09698	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	362.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99608	1.5
59.01068	1.5
59.01376	27.7
60.01718	0.7
61.98827	100.0
63.37623	0.7
66.03487	3.7
71.00068	1.5
71.01393	2.2
71.34896	0.7
72.46910	0.8
84.51382	0.7
87.00890	1.7
89.02443	1.3
90.98597	2.8
98.48512	0.7
101.02420	0.9
102.98583	4.6
105.06689	0.7
112.02259	10.9
113.02519	1.0
115.64255	0.7
119.05026	1.3
175.70387	0.9
178.01802	0.8
215.84009	0.7
231.10690	1.7
249.06168	1.7
283.04974	3.3
362.08997	1.8
362.13000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05527	0.8
59.01386	6.5
61.98830	100.0
64.22086	0.8
69.22079	7.8
81.68217	0.8
82.34497	0.9
115.21135	1.0
119.36842	1.0
142.85541	1.0
176.91624	0.9
184.15092	0.9
284.03406	1.0
299.05511	2.0
361.29416	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35428	0.5
59.01378	18.2
61.98830	0.9
69.21734	2.7
69.22161	2.4
77.49850	0.6
156.27426	0.6
192.46223	0.5
279.23276	100.0
280.23590	12.1
361.15848	3.5
361.23547	24.2
362.23941	3.4
370.69534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39805	1.2
59.01381	100.0
60.01738	1.5
61.98814	1.5
68.83418	1.1
69.18416	12.0
81.65389	1.1
87.95113	1.2
95.56943	1.3
96.71606	1.1
98.20672	2.2
171.63235	1.1
173.67178	1.5
300.65085	1.4
354.45200	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29093	0.3
58.77354	0.2
59.01381	7.6
60.01704	1.3
61.98829	100.0
63.61377	0.2
66.86415	0.3
69.32718	1.0
69.33142	1.0
114.01875	0.3
131.18314	0.3
131.23436	0.3
131.84584	0.3
147.49985	0.3
159.97316	0.4
174.99220	0.7
177.96741	0.8
178.98563	0.3
201.02563	0.8
202.02739	0.3
202.25819	0.3
203.02301	0.5
203.99968	4.5
204.02809	0.6
205.00246	0.5
206.97392	0.3
217.00278	2.1
218.00601	2.7
219.00668	0.8
219.97742	56.3
220.97980	1.1
220.99835	2.2
279.69882	0.3
319.98062	0.5
361.98373	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	361.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12681	0.4
55.01882	1.5
57.03446	1.7
58.00588	1.0
59.01381	17.4
61.98841	0.6
70.78297	1.5
71.01381	12.9
71.83362	0.4
72.99319	0.6
73.02950	5.1
75.86250	0.5
80.30502	0.4
83.01390	3.4
85.02951	7.0
85.20619	0.4
86.00112	1.0
87.00906	1.0
89.02463	2.5
95.01412	0.9
99.00882	1.2
101.02447	12.0
111.00883	0.8
113.02470	3.1
119.03513	0.8
155.10750	1.1
165.05540	1.6
181.12346	1.7
185.11760	0.7
197.11794	0.5
199.13385	5.3
200.13884	0.5
209.11810	3.2
243.12366	0.9
269.04523	1.3
270.04953	0.9
326.54712	0.6
343.17621	0.9
361.18695	100.0
362.19064	11.0
362.23315	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1505
Annotation	Gibboside
Peak:m/z	Relative Intensity
53.90182	1.1
56.72437	1.0
58.00583	1.2
59.01377	10.9
69.65688	5.1
71.01382	6.6
73.02930	2.5
75.00859	5.0
76.62745	1.2
79.26127	1.2
81.95427	1.2
85.02947	1.4
87.04510	2.9
98.20534	2.2
101.02428	2.4
103.00368	17.4
113.02432	2.4
114.89951	1.1
129.01939	2.0
131.03465	1.3
135.08159	1.6
137.09744	10.8
137.76553	1.0
139.11307	2.0
155.10776	100.0
156.11050	4.4
165.09213	1.1
169.12328	1.4
171.10210	1.3
177.04108	1.1
181.08618	2.0
183.10188	7.6
185.11732	3.4
199.09749	97.6
200.10098	7.1
200.11649	1.2
208.55795	1.2
211.13260	1.4
213.11334	1.6
219.55257	1.0
227.12927	1.4
241.10858	8.2
243.12383	2.7
301.13135	1.5
309.56720	1.4
313.10397	1.3
359.84216	1.2
361.15015	14.7
361.22208	7.2
362.15466	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	361.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98131	0.5
55.01856	0.5
57.03434	0.7
58.00589	1.0
59.01380	31.3
61.98830	4.7
68.01400	0.5
69.03465	1.0
71.01382	8.5
71.51791	0.5
72.99303	0.6
73.02953	6.9
75.00881	0.9
83.01389	12.3
85.02940	1.3
89.02441	4.1
95.01373	1.1
95.16093	0.5
101.02437	4.2
103.00372	100.0
104.00726	2.6
113.02457	5.5
119.03481	0.6
155.10796	1.3
171.13907	0.8
181.12343	1.1
185.11812	7.8
199.09708	1.4
199.13414	1.5
209.11804	1.3
224.09506	0.6
227.12779	1.0
239.13223	0.6
301.20166	2.1
304.53168	0.6
319.21277	2.8
361.14920	5.6
361.18686	12.1
361.22314	0.8
362.15274	1.2
362.19214	1.3
372.49512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
58.28006	0.7
59.01378	24.3
69.49845	4.1
69.76303	0.6
73.02915	1.6
73.36124	0.8
115.47781	0.7
117.01914	0.8
137.09792	1.4
139.11278	32.7
139.52710	0.7
149.91040	0.8
155.10797	0.8
163.11325	1.2
165.09190	1.1
173.13658	0.7
181.12325	16.2
183.10258	35.9
184.10654	2.0
199.13448	4.1
225.11314	8.1
242.64920	0.9
243.12358	100.0
244.12666	6.9
292.21536	0.7
302.71210	0.8
361.15018	54.0
362.15396	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	361.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57777	3.6
55.69492	3.1
59.01381	52.9
61.98832	23.9
62.43812	3.3
66.03479	12.9
66.92192	3.5
71.01386	8.5
71.06039	7.8
73.58328	3.8
85.02984	4.0
93.67089	3.4
94.12287	3.5
95.01321	3.2
99.04537	11.8
99.92590	5.4
101.02421	19.1
110.02462	20.5
111.02818	7.2
112.02277	4.9
112.04043	4.8
113.02467	7.5
115.03987	7.6
115.92086	8.1
116.92845	4.8
117.05553	5.4
119.05025	84.7
137.41945	3.8
141.29265	3.5
145.02931	6.5
161.06119	3.8
161.08195	88.5
162.08488	5.2
163.04004	100.0
163.08734	5.6
164.04372	4.2
173.64583	3.4
235.06119	6.7
249.06136	5.8
250.06496	5.8
314.84064	4.1
361.06146	8.2
361.09760	16.7
361.15607	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	361.1502
Annotation	Gibboside
Peak:m/z	Relative Intensity
57.03442	5.7
58.00584	2.5
59.01377	30.8
61.31960	1.8
61.98821	2.9
69.03458	3.5
69.39413	13.3
71.01379	25.0
73.02934	7.7
75.00872	15.2
76.75516	1.8
81.03454	2.3
82.64303	1.8
83.01347	1.8
85.02959	13.5
87.00878	3.3
87.04510	16.2
88.89895	1.9
89.02454	2.6
95.01383	5.0
95.05038	2.2
97.02946	3.1
99.00856	5.5
101.02438	6.9
102.30143	1.9
103.00362	4.0
112.87610	1.6
113.02454	28.5
121.02932	3.5
129.01929	6.5
135.02963	2.5
135.08128	5.5
136.41020	2.2
137.09731	32.6
139.11287	15.9
144.98927	1.7
155.10788	89.4
156.11111	6.2
161.04529	4.4
164.03546	3.7
165.01904	14.6
169.12352	10.9
175.21330	2.0
177.04047	5.0
181.08746	9.0
181.12294	3.9
183.06688	3.2
183.10255	20.1
199.09753	100.0
200.10077	4.3
213.11305	6.8
225.11299	3.8
241.10809	42.2
242.11127	3.9
243.12350	54.5
244.12700	5.1
253.10753	2.8
329.11566	2.7
329.57828	2.3
343.14108	1.8
361.14963	55.1
361.21893	10.4
362.15338	6.4
362.22577	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	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16324	0.5
59.01379	22.7
59.55590	0.6
61.98805	0.8
71.51822	1.0
88.55055	0.5
90.94400	0.5
94.10715	0.6
157.71690	0.7
251.05847	0.5
255.44954	0.7
277.21707	100.0
278.22055	11.4
359.22031	23.6
360.22409	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
59.01381	4.0
60.95613	0.2
61.98828	1.1
69.03471	0.5
69.90527	0.6
69.90919	0.6
71.05008	0.3
72.33636	0.3
98.20538	0.4
119.03728	0.5
127.11255	0.3
136.07669	1.2
137.09747	0.4
146.03972	0.3
149.06070	0.4
153.01959	0.8
163.02734	0.5
185.11803	0.6
197.15460	0.3
210.07730	1.1
251.30339	0.2
254.98595	0.3
267.23444	0.3
295.22675	0.4
297.20975	0.3
299.14957	0.5
311.22385	0.5
311.25833	0.6
313.20203	0.4
313.23810	5.6
314.24231	0.4
323.25967	0.3
341.26993	1.6
357.26437	1.0
359.28021	100.0
360.28357	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	359.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.6
61.98840	0.5
62.32545	0.4
65.17622	0.4
67.01867	0.4
71.01359	0.6
71.52345	0.6
85.90773	0.4
93.03442	0.7
101.02444	0.7
107.19860	0.5
109.02955	0.8
121.02948	8.9
121.03772	0.7
122.03798	3.0
123.00867	1.8
123.04508	1.0
124.01606	0.8
131.05005	1.2
135.04514	1.2
136.05272	2.0
137.02399	1.4
137.06023	0.7
143.05026	1.5
145.02974	0.7
145.06642	0.5
146.03728	1.0
147.04538	5.2
149.02425	2.3
149.06013	0.5
150.03230	7.4
151.04021	0.8
153.05554	1.0
155.10730	0.7
158.03716	6.1
159.04509	18.1
160.05295	49.9
161.06075	15.5
162.06390	0.9
163.03989	7.3
163.05272	0.8
164.04781	7.8
171.10329	0.5
173.06056	6.6
174.06589	0.4
175.07634	40.3
175.73029	0.4
176.04810	0.6
176.07974	2.8
177.05554	10.1
178.06340	12.3
178.07889	0.8
179.06763	1.1
180.14148	0.4
192.07938	2.0
193.08670	3.8
199.09737	0.5
201.09747	0.4
279.14880	0.7
301.02130	0.4
314.11621	1.2
317.16055	0.7
329.13922	100.0
330.10385	0.8
330.14249	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	359.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.5
59.01376	18.5
61.98790	1.2
71.01382	11.5
73.02927	1.6
91.82796	0.7
98.20663	1.7
103.00369	1.7
106.06621	1.5
108.08189	1.1
109.02949	12.2
109.08481	0.8
113.05982	0.9
115.00384	11.8
119.04920	0.8
123.04503	1.8
133.02910	2.1
135.04503	2.6
137.09731	0.9
139.11298	18.2
140.11488	0.8
150.05661	0.8
153.07542	0.8
155.10690	1.2
159.04514	4.9
161.02443	7.2
163.03947	1.3
173.06049	3.2
179.03497	1.1
181.12372	8.4
182.12746	0.9
183.10260	26.5
184.10594	1.4
189.05559	2.5
191.07115	2.4
191.64221	0.7
197.04538	1.7
197.06302	1.3
197.67455	0.8
199.13393	2.4
203.07138	1.7
211.13387	2.3
213.05472	1.2
225.11311	4.7
229.32460	0.9
240.04282	2.4
241.05026	10.8
241.14442	2.1
243.12370	100.0
244.12703	9.5
251.12956	1.5
255.06555	5.4
256.06912	0.9
267.03802	0.7
267.06512	1.0
281.08069	1.0
295.09723	0.9
299.09293	5.8
313.10745	6.7
329.10477	3.2
343.11841	1.5
344.12650	16.2
345.13062	1.7
359.15036	38.7
360.15295	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	359.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.1
58.00599	3.5
59.01377	100.0
67.07142	1.4
69.65092	2.8
69.65501	5.6
71.01376	39.7
72.99305	2.1
83.01389	6.6
85.02952	6.4
87.00919	1.9
89.02444	49.1
94.02979	22.4
95.01389	3.4
95.03315	8.7
99.92588	6.0
101.02446	22.7
113.02467	17.0
115.92115	2.0
116.92838	2.7
119.03516	25.4
119.05011	30.9
131.03459	3.3
132.02234	1.6
137.06197	2.0
138.06734	1.7
143.03458	4.4
161.04619	8.7
162.04793	2.1
168.96230	2.2
179.05623	9.0
196.42661	1.4
212.95073	1.6
299.11365	40.0
300.11716	3.1
311.25400	1.6
320.87665	1.5
348.94836	1.5
358.98398	8.5
359.98740	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	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	1.0
59.01376	13.1
62.62424	0.4
66.12933	0.4
70.07149	2.0
71.01382	4.6
71.50754	0.4
73.58939	0.4
75.00854	1.1
77.83313	0.4
78.09877	0.4
78.88711	0.5
81.07083	0.6
81.30782	0.5
85.02946	1.4
87.04527	1.1
89.02438	1.3
96.05416	0.5
99.04512	1.0
99.30972	0.4
103.00370	100.0
104.00715	2.0
115.00309	0.6
123.83330	0.5
134.51259	0.5
139.11278	1.3
145.02882	0.5
149.09677	1.1
160.26166	0.4
165.09227	1.3
167.10753	1.4
177.09138	0.7
179.10817	1.1
183.10249	15.4
184.10597	1.2
190.76471	0.4
196.65982	0.5
197.11816	7.5
202.65681	0.4
214.18991	0.5
225.11369	2.5
353.78714	0.5
359.13477	6.0
359.20615	0.6
360.13660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07989	6.2
55.76831	6.5
56.83881	6.1
59.01381	100.0
61.98823	16.1
67.04382	6.6
69.86929	26.6
71.01375	27.5
74.02469	10.4
80.55346	8.5
89.02428	12.6
95.48653	7.3
98.20601	9.8
99.92588	67.0
101.02464	14.8
107.05048	19.4
113.02438	17.2
113.92605	11.5
115.92059	21.9
116.92832	26.4
117.03415	11.3
117.92838	8.3
118.66497	7.1
119.03407	9.5
119.05002	39.7
121.02954	13.8
129.01929	7.6
134.03694	10.2
137.06091	61.1
145.02904	9.1
161.04504	17.1
163.03941	10.6
195.05118	14.4
201.81602	7.6
212.95032	13.1
212.97246	7.5
272.75800	8.3
299.11426	14.0
299.81006	7.8
303.53763	7.1
358.98581	51.4
359.09378	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	359.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.1
59.01378	100.0
60.01698	1.6
71.01385	8.2
71.05038	1.6
72.99226	0.7
73.02942	2.0
83.01378	2.6
85.02941	3.0
89.02425	1.9
93.02938	0.7
94.02472	0.9
94.02979	5.9
95.01389	1.8
95.03308	2.1
99.00932	1.0
101.02431	3.0
102.02757	0.8
106.04250	1.4
113.02444	4.7
119.05046	4.8
123.04497	0.9
130.08755	1.6
137.06079	58.5
138.06378	2.7
143.11830	0.8
159.03044	1.7
161.04546	11.1
197.04491	1.5
299.11386	1.3
315.16739	1.1
376.42062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.9
61.98837	100.0
62.41479	5.0
70.78336	13.2
83.01385	11.8
122.76211	5.0
147.60661	5.2
173.38478	6.2
174.14555	5.7
194.26294	5.5
233.29953	5.6
358.13681	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	359.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57806	0.7
55.24638	0.7
59.01379	84.1
60.01686	0.8
69.94124	3.7
75.39034	0.9
90.27739	0.8
90.97132	1.7
98.20029	1.2
125.03613	0.8
132.98166	1.4
150.97748	0.8
157.03560	3.3
174.99237	21.1
175.99471	1.0
176.92058	0.9
178.94801	0.7
198.62431	0.8
201.02541	23.0
202.02721	2.4
205.39946	1.0
217.00285	100.0
218.00607	2.4
247.87221	1.4
248.37083	1.2
254.89719	3.2
256.87680	18.8
257.88031	3.4
262.03226	0.9
271.86377	4.4
272.90891	1.9
274.88718	21.9
275.88742	2.7
287.84998	2.8
288.35071	1.9
288.85068	1.6
289.87509	6.2
290.87531	1.2
298.88730	13.5
299.88831	1.7
316.89783	36.6
317.89896	4.2
358.79980	1.3
359.01523	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	358.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
56.87624	1.0
59.01113	1.1
59.01381	8.1
61.98818	5.1
65.38531	1.1
66.03482	1.2
68.99821	1.9
69.89523	1.1
70.02979	2.2
71.01384	3.1
71.51911	1.8
73.02940	1.5
80.05070	2.3
81.02197	6.2
82.03004	1.9
82.06596	1.4
82.58193	1.2
83.01390	2.5
87.04496	1.5
87.05635	1.9
94.02935	1.3
96.00918	7.2
98.02483	20.5
103.00379	14.5
108.08171	1.0
109.01694	4.6
113.02425	1.4
113.03578	7.5
114.01948	3.5
115.00375	1.2
119.05016	1.4
130.08739	99.4
131.04623	1.8
131.09082	3.2
132.03012	1.7
132.04552	10.4
133.01434	2.5
135.08200	1.3
138.09241	23.4
139.07736	1.3
139.08748	4.2
140.07170	9.1
150.05603	2.8
152.07150	7.2
153.09204	22.9
156.06636	1.5
161.03539	1.7
163.03969	1.2
164.09496	2.0
165.10323	1.8
166.08733	41.7
167.09085	1.5
168.10307	2.7
183.11346	2.0
197.06554	2.0
197.08206	21.7
199.18236	7.9
204.09021	3.0
209.09285	3.1
210.07645	1.7
225.16136	9.8
227.10295	3.4
233.16606	5.4
235.18105	10.6
243.17166	10.7
244.17538	1.1
253.19304	1.4
261.16083	10.1
279.17169	10.7
297.12555	6.1
315.13498	4.0
323.16095	100.0
324.16486	11.8
340.18744	54.6
341.18994	4.2
358.19736	31.5
359.09665	2.3
359.20410	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	358.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70729	0.6
52.73568	0.5
53.91096	0.6
57.03449	9.4
59.01385	6.5
66.03488	0.9
67.01899	5.0
71.01384	9.9
73.02939	1.9
73.44979	0.6
77.07143	0.6
77.87596	0.7
81.76885	0.6
82.02980	1.9
83.01387	29.3
84.01704	0.8
85.02950	5.2
87.99372	0.6
89.02437	1.9
91.16616	0.6
94.02986	100.0
95.03329	2.7
97.02945	0.9
98.20673	1.5
99.00898	1.8
101.02452	9.1
113.02430	5.7
113.16437	0.6
119.03512	0.8
119.05015	0.8
124.04003	0.7
125.02449	1.0
127.03991	1.1
130.31447	0.6
143.03448	1.4
159.02960	1.0
161.04549	11.2
167.25880	0.6
195.05077	1.0
231.65938	0.6
245.06636	7.0
256.08206	3.2
299.11337	1.9
328.10379	1.8
340.10776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25061	0.7
57.03449	37.7
58.03776	1.0
59.01366	3.0
61.98816	3.0
69.03455	2.4
69.19206	6.6
71.05022	3.1
73.02918	1.0
83.01374	4.5
83.05027	1.1
85.06586	32.2
86.06915	1.2
95.22464	0.7
97.06608	2.5
97.64333	0.9
98.20642	1.8
98.91750	0.9
99.04542	1.2
99.08188	1.5
119.45830	0.8
121.02956	33.6
123.08219	1.0
125.06096	0.9
125.09716	3.0
125.50143	0.8
127.11269	1.7
136.07687	1.1
137.06024	1.2
137.07047	0.8
141.12851	3.7
143.10780	10.1
151.04025	1.0
151.11247	1.7
151.74934	0.8
167.14381	1.0
169.12366	6.5
169.15988	3.5
181.06567	2.7
195.17552	4.4
197.15479	1.1
201.11403	0.7
209.19060	1.2
211.17030	29.5
212.17343	2.2
225.05623	2.0
229.17873	0.8
237.18570	1.8
237.22179	4.9
239.20152	3.6
271.22876	1.9
279.23285	1.7
295.26480	4.5
297.24332	14.2
297.70081	0.9
298.24649	1.3
311.26016	2.2
313.07120	2.8
313.27469	56.6
314.27753	5.3
321.89163	0.8
339.25522	1.5
357.06149	13.0
357.13535	7.6
357.26431	100.0
358.06357	1.9
358.13531	1.0
358.26852	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	24.9
58.63947	1.3
59.01371	9.2
61.83013	1.1
61.98818	5.8
63.18000	1.3
68.32355	1.3
69.03453	3.0
69.24748	2.3
69.25153	8.8
71.01385	3.0
71.05017	5.4
71.99566	1.2
73.02940	12.4
73.36646	1.2
80.02663	1.2
80.17006	1.2
80.44659	1.2
81.03490	1.6
83.01388	9.6
83.05005	2.3
84.02160	1.7
85.06561	8.2
87.04506	4.0
87.98701	1.7
93.03416	1.6
95.05027	2.9
97.02963	1.8
97.06612	6.2
99.08131	4.4
109.06582	3.7
111.08150	4.0
112.81017	1.3
121.02931	3.2
121.06554	2.3
121.10259	1.6
122.03745	2.9
122.63605	1.4
123.04457	1.6
125.09701	3.5
129.09204	4.3
130.08722	1.2
132.04552	36.4
135.04533	2.1
136.01633	2.0
136.07706	16.1
137.06192	1.5
137.09717	4.2
139.07637	2.8
139.11255	3.8
141.09134	1.5
143.10791	17.4
147.04498	2.9
149.06114	1.5
151.11296	1.9
153.09138	5.2
153.12892	1.9
155.10777	2.1
157.12347	4.4
163.11259	1.7
164.07127	8.6
165.12807	3.6
171.10303	10.1
173.11816	9.5
175.02698	1.2
183.13927	2.6
185.11906	2.1
186.09181	2.1
187.13348	1.9
193.12325	4.6
195.05042	2.0
201.14900	2.1
202.12068	2.5
209.11797	4.9
211.13368	3.1
212.14140	1.4
225.14967	7.5
243.15994	3.8
251.16539	2.6
269.17542	3.3
281.12955	11.7
297.24323	4.2
311.25824	3.1
313.15408	8.9
313.27475	23.1
314.27832	2.0
321.24228	4.0
325.11914	4.5
339.21649	1.9
339.25412	15.2
340.18872	1.8
357.13763	14.3
357.22629	42.7
357.26431	100.0
358.22968	4.9
358.26782	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	357.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25061	0.7
57.03449	37.7
58.03776	1.0
59.01366	3.0
61.98816	3.0
69.03455	2.4
69.19206	6.6
71.05022	3.1
73.02918	1.0
83.01374	4.5
83.05027	1.1
85.06586	32.2
86.06915	1.2
95.22464	0.7
97.06608	2.5
97.64333	0.9
98.20642	1.8
98.91750	0.9
99.04542	1.2
99.08188	1.5
119.45830	0.8
121.02956	33.6
123.08219	1.0
125.06096	0.9
125.09716	3.0
125.50143	0.8
127.11269	1.7
136.07687	1.1
137.06024	1.2
137.07047	0.8
141.12851	3.7
143.10780	10.1
151.04025	1.0
151.11247	1.7
151.74934	0.8
167.14381	1.0
169.12366	6.5
169.15988	3.5
181.06567	2.7
195.17552	4.4
197.15479	1.1
201.11403	0.7
209.19060	1.2
211.17030	29.5
212.17343	2.2
225.05623	2.0
229.17873	0.8
237.18570	1.8
237.22179	4.9
239.20152	3.6
271.22876	1.9
279.23285	1.7
295.26480	4.5
297.24332	14.2
297.70081	0.9
298.24649	1.3
311.26016	2.2
313.07120	2.8
313.27469	56.6
314.27753	5.3
321.89163	0.8
339.25522	1.5
357.06149	13.0
357.13535	7.6
357.26431	100.0
358.06357	1.9
358.13531	1.0
358.26852	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	14.6
59.01382	2.4
61.98831	1.9
66.94450	0.8
70.72253	2.2
71.05017	32.7
71.05420	1.6
82.69945	0.9
83.01388	4.7
83.05025	1.7
84.66493	0.8
85.02969	1.1
85.06593	5.2
95.04988	1.1
97.06606	4.5
99.08170	2.4
111.08154	1.9
113.09723	7.5
116.53673	0.8
121.02944	9.9
123.08173	2.5
124.80757	0.9
134.72269	0.8
139.11250	7.1
141.09206	1.2
141.12885	1.1
153.12845	11.4
155.10796	2.9
155.14362	2.6
157.12340	17.5
158.12674	1.2
171.13910	19.6
172.14180	1.4
183.13838	1.0
187.98616	1.0
211.17006	1.2
237.22343	1.3
247.26561	0.9
293.24750	1.3
309.84250	0.9
311.25848	2.4
313.27490	56.2
314.27899	3.9
328.70209	0.9
339.25278	1.1
357.06097	3.6
357.13797	4.8
357.26440	100.0
358.26755	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	357.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	17.4
58.00584	1.6
58.14925	0.7
59.01371	2.3
61.98819	3.5
69.03449	1.5
71.05021	16.6
71.51913	1.4
73.02941	2.8
81.03458	1.1
83.01375	1.2
83.05009	1.6
85.02980	0.7
85.06583	1.2
87.04511	17.6
87.92695	0.7
95.05045	0.9
97.06599	3.7
99.04559	1.2
99.08150	2.6
102.67372	0.7
111.08131	1.7
113.09715	5.0
118.11237	0.7
121.02962	2.1
123.08168	1.3
127.11289	6.0
137.09679	1.7
139.11285	13.0
140.11653	0.7
141.09190	1.1
146.88799	0.6
151.11279	1.4
153.12892	6.5
155.10765	3.6
157.12335	16.7
158.12668	0.9
167.10704	0.7
169.12292	2.9
171.13907	20.5
172.14273	1.3
183.13931	1.3
187.13354	1.7
199.13422	1.3
200.14233	1.4
201.14931	9.2
269.33762	0.7
295.26379	0.8
297.24753	0.7
311.25900	8.3
313.27475	69.7
314.27823	8.6
357.00305	0.7
357.13492	2.6
357.26440	100.0
357.58298	0.8
358.26761	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	357.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03456	2.4
59.01380	100.0
60.01733	1.2
61.98830	4.4
69.03456	0.9
69.16904	1.4
69.17310	6.9
71.01385	7.4
71.05042	2.0
73.02952	2.4
74.21684	0.7
75.00887	0.8
83.01389	4.9
84.16129	0.7
85.02951	3.5
85.06611	0.9
87.00903	0.9
87.04543	1.5
89.02415	0.9
95.05047	1.6
97.06618	2.0
97.44708	0.7
98.19846	1.5
99.42811	0.8
101.02447	3.8
106.04284	0.9
111.04584	1.1
113.02441	2.6
121.02987	2.2
122.03749	1.3
123.04562	0.8
129.01932	0.8
136.07660	0.9
147.04602	1.1
157.12411	1.1
161.04596	3.2
161.05928	0.7
164.07123	1.2
169.12343	0.8
171.10269	5.4
193.12289	1.3
195.05107	1.7
199.13380	0.8
209.12143	0.9
211.13457	1.7
225.15094	1.1
243.16484	0.8
251.16750	1.0
289.18054	1.3
297.24469	1.2
311.25940	1.1
313.27582	2.5
315.18103	4.5
321.24478	1.1
357.13443	6.4
357.22867	17.8
357.26694	13.0
358.23276	2.1
358.26791	1.5
374.47537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90120	0.5
59.01374	0.6
61.17063	0.4
69.65464	2.8
70.45600	0.5
80.71701	0.6
83.01383	4.8
87.04517	0.7
93.07079	0.7
98.20637	1.0
103.75969	0.5
106.04243	31.8
107.05080	1.3
108.02172	7.9
119.05035	0.8
121.02959	2.4
122.96729	0.5
136.07668	0.6
137.06076	13.1
138.03183	2.3
160.08528	0.6
162.09241	100.0
163.09607	5.0
180.10283	0.6
256.17123	2.1
268.34152	0.6
300.16028	92.5
301.16376	9.5
313.27481	0.7
325.11679	0.6
327.17004	0.8
339.25259	0.9
357.13446	2.0
357.26450	19.9
358.13806	0.7
358.26627	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21477	2.4
55.01881	17.6
57.01511	2.0
57.03428	5.8
59.01388	18.6
60.99305	10.5
61.11578	1.9
61.98827	4.0
69.03445	8.3
71.01377	4.2
71.05029	2.1
73.02943	35.4
81.03451	2.1
83.01387	4.2
89.02437	2.6
93.03461	2.1
94.58891	1.8
95.05036	4.5
97.02952	2.9
99.00871	3.7
102.01087	1.9
103.00386	2.2
107.05028	8.8
109.06583	13.9
113.02499	2.1
117.01940	5.4
119.05012	2.4
121.02881	2.2
121.06568	2.5
122.03717	2.2
123.08133	9.7
125.09697	5.0
130.04192	3.4
135.08156	3.8
139.23428	1.9
148.03993	2.1
149.06079	2.9
149.09694	4.0
161.09679	5.1
163.11261	5.8
175.11256	2.2
177.09323	2.2
177.12933	3.7
179.10751	4.2
181.12311	3.5
189.12778	2.4
196.09839	2.6
203.14272	2.8
207.10217	11.8
207.61256	1.8
215.14363	4.1
221.11813	14.3
223.13312	5.3
225.11313	11.6
231.13991	2.9
233.15477	4.4
239.12849	11.1
247.13477	10.7
249.11244	5.7
249.14769	4.9
251.12819	11.5
259.13376	47.5
260.13538	2.1
265.14398	19.6
266.14780	2.2
267.12390	3.0
274.55405	1.9
277.14429	100.0
278.14755	10.6
295.15524	12.9
354.50302	2.1
357.15720	18.8
358.15979	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	357.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16926	0.4
50.58142	0.3
53.73890	0.3
54.05753	0.3
57.03461	0.5
59.01366	1.7
61.36895	0.3
61.98812	0.5
62.58799	0.3
63.77864	0.3
66.24359	0.3
70.63557	0.4
70.63887	0.7
80.05071	1.6
83.01353	0.3
83.05026	0.4
103.04285	0.5
104.05060	6.9
105.03473	1.1
105.05418	0.3
107.03737	0.3
108.04553	6.8
108.08195	4.9
109.08503	0.4
116.05058	0.3
121.05328	3.9
132.04553	56.7
133.04883	2.7
135.03299	0.7
136.07680	100.0
137.06093	0.8
137.08031	4.5
144.04546	0.9
148.04053	5.1
150.01923	0.4
153.04303	1.2
160.03986	0.7
164.07182	1.7
171.10265	1.9
176.03523	7.3
177.03838	0.6
188.03571	1.5
193.12338	0.4
199.13272	0.4
208.06114	4.9
211.13483	0.4
220.06155	0.7
223.16296	0.4
225.14890	0.6
234.34093	0.3
253.13423	5.2
254.13704	0.6
257.12933	5.5
275.54080	0.3
281.12939	24.2
282.13217	2.1
297.12408	2.9
298.12827	0.4
313.27487	0.6
325.11911	60.3
326.12244	7.4
339.21878	0.4
357.14532	24.5
357.22720	4.1
357.26581	2.4
358.14865	2.8
358.23056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37753	0.7
53.16499	0.7
53.40364	0.7
58.85572	0.6
59.01381	1.3
61.98830	100.0
69.43276	1.4
69.43684	3.3
74.54467	0.7
75.36033	0.7
83.01369	0.8
86.00933	0.7
103.00414	1.0
121.60210	0.7
130.08742	10.1
138.09283	0.9
167.08231	0.9
179.17493	0.7
195.05051	1.9
199.18225	2.9
209.09270	0.8
226.12019	1.0
243.17130	0.9
272.68616	0.8
284.60236	0.7
303.17844	0.8
340.18686	2.3
357.21408	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	357.1456
Annotation	14,15-Dihydroxygelsenicine
Peak:m/z	Relative Intensity
68.99808	0.6
70.17963	0.2
80.05061	1.4
84.65599	0.3
92.43140	0.3
99.00880	0.3
103.04268	0.2
104.05065	8.2
105.05396	0.3
108.04562	6.4
108.08194	5.1
109.04891	0.4
110.08213	0.2
112.80524	0.3
116.05102	0.6
120.04597	0.3
121.05334	5.4
121.06165	0.4
131.03777	0.3
132.04558	50.5
133.04878	1.8
135.03268	0.5
136.07683	100.0
137.08032	4.5
144.04529	1.3
147.03255	0.4
148.02936	0.5
148.04051	7.0
148.36749	0.2
149.04419	0.3
153.04312	1.4
160.04027	0.9
162.05800	0.3
164.07159	0.5
166.05104	0.3
176.03546	7.3
177.03917	0.3
188.03511	1.2
190.05098	0.8
202.69493	0.3
208.06165	7.1
209.06497	0.5
220.06116	1.0
253.13481	4.0
257.12964	5.5
258.13300	0.5
281.12958	21.1
282.13263	2.2
297.12430	3.1
298.13043	0.4
325.11923	50.9
326.12228	5.9
337.65170	0.3
357.14551	29.3
358.14862	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	357.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69268	0.6
57.03442	2.0
57.63382	0.5
57.68181	0.7
59.01383	5.2
61.98826	1.7
62.66387	0.6
69.77828	2.6
69.78232	1.0
71.01382	5.5
72.98884	0.5
72.99308	2.1
75.00873	31.7
81.80611	0.7
83.01388	1.5
85.02947	2.2
87.00873	5.6
89.02440	2.0
94.02964	1.2
99.00880	7.5
101.02401	1.2
103.00390	1.0
129.01944	20.9
130.02251	0.8
133.02937	1.1
133.80788	0.7
135.04523	10.1
152.61256	0.6
159.03018	1.7
161.02432	3.9
177.04070	4.4
179.03464	5.3
195.05092	100.0
196.05443	4.5
248.08931	0.7
258.50082	0.5
281.06589	0.7
313.14120	0.6
339.07306	2.0
357.08273	17.9
357.12787	0.9
358.08551	2.0
359.51080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22889	5.0
59.01375	9.4
61.98832	100.0
71.51833	11.0
83.01381	20.7
83.52352	5.6
113.03754	5.7
121.02975	10.0
357.13498	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	357.0615
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.06946	0.3
57.03429	0.4
59.01381	0.6
77.03960	0.4
80.05091	0.5
104.05062	2.5
108.04543	2.1
108.08199	1.3
121.02956	100.0
121.05257	2.1
122.03284	4.0
132.04556	15.8
133.04900	0.8
136.07680	31.9
137.08023	1.5
148.04086	2.1
148.48235	0.4
153.04347	0.4
154.64952	0.4
165.01926	1.2
176.03561	2.4
180.05757	1.6
181.06577	7.2
188.03635	0.4
191.70804	0.4
208.06078	2.6
209.06491	0.5
225.05595	5.9
226.05949	0.5
253.13495	1.3
257.12952	1.6
281.12936	7.0
282.13245	0.6
297.12329	1.0
313.07166	9.3
314.07574	0.7
325.11917	17.6
326.12186	1.9
327.25681	0.6
356.25201	0.6
357.06155	36.2
357.14429	10.7
357.26422	4.9
358.06470	4.3
358.14835	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47173	0.5
52.67348	0.6
55.17346	0.6
56.09050	0.5
57.03438	2.1
58.59962	0.6
59.01382	5.2
61.98820	1.1
69.48867	2.9
71.01386	6.8
72.19166	0.5
72.99301	1.5
75.00872	27.1
80.96545	0.5
83.01375	1.9
84.02203	0.7
85.02949	2.4
87.00874	5.5
88.85534	0.5
89.02451	1.5
92.05063	0.8
94.02940	2.9
98.20693	1.0
99.00875	7.8
99.01456	0.8
101.02451	1.2
103.00352	0.7
113.02451	1.3
118.98940	0.5
119.03712	0.6
121.10309	0.5
129.01944	18.6
131.42532	0.6
133.02998	0.8
134.03766	0.9
135.04523	9.7
136.03990	0.8
141.01985	0.7
149.06128	0.6
159.02954	1.4
161.02461	4.6
177.04102	4.3
179.03514	5.7
195.05093	100.0
196.05417	3.9
233.41609	0.5
243.87157	0.5
281.06778	0.7
339.07095	1.5
357.08246	17.0
357.12497	0.7
358.08533	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12479	0.3
59.01386	0.7
61.98830	100.0
68.13889	0.3
70.39523	0.7
71.11071	0.3
79.62778	0.3
83.01401	1.0
87.62280	0.3
89.36923	0.3
95.96828	0.3
115.90979	0.3
121.02987	0.8
132.67134	0.4
221.15553	0.6
236.10556	0.7
313.07278	0.4
357.13168	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	356.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81388	4.4
59.01365	7.6
59.02532	5.0
61.98833	100.0
69.75626	24.7
83.01396	21.5
98.19983	8.5
100.34352	4.7
120.30633	5.6
121.02940	15.4
124.70518	5.1
154.70419	5.1
227.10464	5.3
231.90352	5.5
238.30070	5.4
250.03951	4.7
356.22610	7.0
357.06247	7.3
357.13477	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2488
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
50.14246	0.6
53.59093	0.6
57.03449	35.5
58.03774	0.8
59.01366	0.8
61.14919	0.6
69.03427	1.9
71.00677	1.5
71.05012	1.4
84.89835	0.5
85.06587	19.1
97.06599	1.6
101.09734	1.8
129.08331	1.0
129.09232	13.8
130.81531	0.7
136.07645	1.1
143.10780	21.9
144.11095	1.3
167.14415	8.3
168.14693	1.3
172.11070	0.6
178.15666	0.6
181.15996	13.7
181.64229	0.6
182.16397	0.8
206.04572	1.1
209.15421	2.1
235.20706	2.9
236.20969	0.6
264.21219	0.7
267.23273	11.8
268.23502	1.1
274.07370	0.6
293.24976	0.7
311.25900	28.9
311.29495	1.4
312.26282	2.7
355.24875	100.0
356.25253	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	356.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
61.98831	100.0
70.38666	0.9
71.01366	0.5
83.01403	0.6
97.97121	0.4
101.53585	0.5
103.00394	0.7
108.79030	0.4
120.49059	0.4
122.06123	3.3
130.08720	0.7
136.01672	1.5
151.04034	2.1
152.07237	0.8
192.06847	0.6
195.05247	0.6
356.25421	0.9
357.06207	0.6
357.13657	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2489
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
57.03449	23.2
59.01358	1.0
69.03455	1.8
71.00614	2.0
71.05017	4.8
81.90483	0.9
87.87868	0.8
95.05019	1.7
97.06602	6.7
99.08150	6.1
111.08177	2.0
113.09734	13.0
123.08163	5.3
124.66476	1.0
127.11266	1.4
137.09711	1.2
139.11252	1.9
141.09218	2.7
151.11198	1.0
153.12848	24.2
154.13190	1.3
157.12334	31.4
158.66554	0.8
164.83266	1.0
169.12314	1.1
171.13924	1.6
182.13120	4.9
186.12547	1.7
214.12044	1.1
282.68143	0.9
311.25906	59.1
312.26230	7.0
316.07922	0.8
355.24884	100.0
356.25208	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	355.2277
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
61.98819	6.3
68.41673	2.0
71.13811	4.9
71.14162	2.0
85.02960	3.1
94.73578	2.2
95.06882	1.7
103.09831	1.8
104.11428	1.8
109.02975	1.9
114.11327	1.9
121.76111	1.8
122.03771	11.5
135.04521	21.9
136.01683	2.3
136.04848	3.0
147.08153	4.0
149.09732	8.7
161.09688	10.4
163.07690	3.8
163.11278	56.0
164.08437	16.7
164.11557	3.0
165.09201	7.7
177.09204	74.6
178.09935	17.0
179.10774	81.4
180.11072	4.7
191.10818	11.2
193.08719	7.2
225.14552	2.0
280.14697	5.1
298.15704	54.9
299.16153	6.2
311.73590	2.2
311.77408	2.1
316.31952	2.1
337.21725	59.7
338.22104	8.6
340.20413	89.9
341.20731	13.2
355.22824	100.0
356.23154	17.3
376.80566	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	355.249
Annotation	Ligantrol
Peak:m/z	Relative Intensity
57.03450	35.3
58.03779	1.1
59.01376	0.9
61.98824	1.0
69.03455	1.6
69.19729	2.7
69.20153	1.5
71.05017	1.4
72.86818	0.4
75.96804	0.4
79.66219	0.5
85.06590	19.3
97.06581	1.6
101.09722	2.0
111.08093	0.5
124.58549	0.4
125.09746	0.7
129.09215	14.1
130.09567	0.5
143.10774	23.2
144.11084	1.1
155.10799	0.5
167.14427	7.9
168.14703	0.9
171.10291	0.6
181.15987	14.0
182.16286	1.1
183.13867	0.7
204.29712	0.4
209.15437	1.7
209.19026	0.8
211.17006	1.1
235.20752	3.3
251.04767	0.5
267.23279	10.9
268.23715	1.5
289.35141	0.5
293.24677	0.6
311.25912	27.9
312.26251	3.7
355.24887	100.0
356.25223	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1298
Annotation	14-Hydroxy-19-oxogelsenicine
Peak:m/z	Relative Intensity
51.61499	0.3
53.13902	0.3
53.75848	0.3
59.01375	1.0
61.98823	0.7
66.63960	0.3
69.95908	1.3
71.05006	0.5
71.49718	0.3
100.92813	0.3
103.04306	0.4
104.05090	0.6
108.08193	15.4
109.08527	0.9
119.03783	0.6
120.00959	0.3
121.05325	7.6
121.06165	0.5
123.10973	0.3
124.04031	0.4
130.02969	2.3
132.04625	0.3
135.03300	0.6
135.04536	0.4
136.07677	98.8
137.08023	5.3
147.03299	0.7
149.06120	0.7
150.02003	0.4
150.05606	0.3
152.03540	1.3
153.04294	2.6
160.04039	2.5
162.05598	49.3
163.05920	2.4
174.05624	1.4
176.07117	0.4
186.02010	1.7
206.04561	16.3
207.04955	0.8
218.04573	4.6
219.05225	0.8
251.04320	0.5
251.11798	0.5
277.90192	0.3
279.11349	0.5
283.14496	7.3
284.14832	0.6
311.14005	5.1
311.25946	0.5
312.14767	0.3
327.13474	8.0
328.13901	0.8
355.12952	100.0
355.24612	1.9
356.13272	12.1
356.25113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1032
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
58.36462	0.6
59.01372	5.9
61.98824	1.2
71.01360	1.1
82.28162	0.6
85.02943	1.0
87.00951	0.8
93.03424	0.9
98.19868	1.5
103.00372	8.9
109.02927	0.8
111.00895	0.8
117.03376	0.9
121.02946	1.6
133.02959	3.4
134.03737	59.8
135.03978	1.2
137.02443	8.0
139.04016	1.9
149.06076	19.3
150.03172	0.7
151.07573	1.0
159.04506	0.7
161.02437	1.3
177.05554	2.1
178.02708	35.1
179.03098	1.6
187.00781	0.6
193.05046	100.0
194.05383	6.2
239.00082	0.9
251.05638	1.3
283.02606	1.0
285.03986	1.4
301.57028	0.7
355.10483	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1033
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
65.23128	0.8
65.65697	0.7
66.54047	0.8
69.17883	8.4
99.85255	0.8
103.00382	2.6
106.04276	1.2
121.02993	1.9
131.54175	0.8
133.02930	2.4
134.03735	58.7
135.04080	1.9
137.02408	6.6
139.04002	0.9
145.02914	1.2
149.06088	18.7
150.03229	1.0
150.06465	0.9
171.76268	0.8
175.63077	0.8
178.02711	31.0
178.04288	1.8
179.03044	1.6
193.05049	100.0
194.05391	6.5
203.03532	0.9
251.05463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.3
57.40540	3.4
59.01371	28.2
61.98832	33.7
71.01379	26.1
71.12148	6.6
72.99310	17.0
73.02935	17.2
75.00884	3.6
78.95910	10.7
83.01351	3.8
83.35784	3.7
85.02948	57.5
87.00883	6.6
89.02452	6.5
95.01391	7.5
96.96004	10.8
96.96958	8.7
99.00827	8.6
101.02474	8.5
103.00374	100.0
103.92025	9.3
108.90233	4.5
108.93726	3.9
109.02971	8.1
110.02461	5.9
110.89967	3.4
110.98551	7.5
111.00865	4.4
113.02444	30.8
115.00394	10.1
128.89221	24.3
129.01976	7.0
130.88940	75.2
131.03496	15.5
131.88976	6.8
132.88643	19.3
133.01398	9.9
133.02962	10.4
133.05077	5.1
134.03723	16.0
135.04518	29.7
137.02441	4.7
144.86942	10.1
145.01392	6.2
146.86758	4.8
149.06082	7.0
157.01404	7.0
161.02484	33.8
164.92674	11.5
170.89290	6.1
170.92459	3.6
175.02522	24.4
175.03879	5.6
177.05577	12.3
178.02647	7.2
179.03383	18.4
188.97316	4.4
191.02005	6.9
193.03503	46.8
193.05083	12.9
200.30019	4.2
203.03554	6.8
203.72186	3.5
206.93759	15.5
209.03015	12.1
212.49623	4.5
244.90302	4.6
251.05577	32.6
252.06006	7.2
267.07224	4.5
280.87030	9.4
312.04126	10.4
355.06693	6.5
356.02966	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	354.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
59.01380	43.0
61.98538	2.8
61.98828	31.6
68.01411	2.0
68.99767	2.7
70.92344	5.3
71.01376	7.8
73.02938	17.0
81.19482	1.8
83.01366	2.0
85.02910	2.5
97.02904	2.3
97.06547	2.4
101.02442	100.0
110.44077	2.2
125.02431	6.1
130.52214	1.8
139.11285	23.1
140.11739	2.1
143.03493	2.5
145.90053	2.1
163.11229	3.7
181.12354	27.4
183.10265	51.2
184.10623	4.2
225.11327	24.6
239.12828	1.9
243.12399	17.3
245.58005	2.3
246.22166	1.8
267.12384	3.1
281.13742	2.2
297.13519	2.9
309.13425	3.3
311.26117	2.4
327.14389	9.7
354.15491	8.2
354.23477	4.6
355.16190	2.4
355.24838	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	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24073	1.1
54.65733	1.1
59.01378	30.6
70.62875	4.0
71.01385	7.2
85.02947	2.7
87.00877	1.6
89.02427	4.3
99.00890	2.9
103.00371	100.0
107.54311	1.5
108.99740	1.1
109.02956	6.0
111.00877	1.9
115.00380	2.2
118.51589	1.1
119.05018	5.0
121.02960	1.5
133.02950	9.3
134.03751	17.5
135.04527	22.5
136.07611	1.4
137.02419	3.8
145.02960	1.8
149.06061	6.3
161.02440	34.5
162.02731	1.7
163.04025	7.3
175.03932	2.4
177.05551	16.8
178.02716	4.6
178.05708	1.2
179.03510	13.2
180.03848	1.4
184.06239	1.7
189.05525	1.8
193.03513	43.7
193.05083	14.1
194.03812	1.6
203.03511	13.6
204.03844	1.8
207.06581	2.2
221.04564	3.2
229.76701	1.3
233.04509	2.5
251.05583	37.0
252.05910	3.7
265.07242	1.6
283.02365	2.1
285.03815	1.7
288.79300	1.3
293.06390	1.3
307.02380	1.2
355.06711	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	353.2333
Annotation	(-)-Enunicelline
Peak:m/z	Relative Intensity
50.03196	0.7
51.99216	0.7
55.01881	4.5
57.03440	3.3
58.70992	0.7
58.99581	1.1
59.01377	4.4
61.98820	2.3
69.03426	1.5
69.13583	7.8
71.05009	2.7
73.02946	4.7
75.72079	0.8
81.07101	4.2
83.05019	2.2
87.04510	3.3
95.05053	1.3
97.06619	0.9
98.54158	0.8
99.04420	0.9
102.98587	3.5
105.77396	0.7
109.06583	1.2
120.66137	0.8
120.99609	1.5
121.06532	0.9
121.31614	0.7
137.09711	1.4
139.11246	1.9
141.12871	2.0
155.10793	6.3
163.07596	1.4
165.09200	3.9
169.12233	0.9
183.10262	35.1
183.13847	1.3
184.10532	2.0
190.82980	0.9
211.93175	1.0
221.15498	1.3
221.18968	1.1
223.07956	1.1
224.72755	0.7
239.16412	1.5
247.17093	1.1
265.17944	1.5
265.21680	2.2
309.24429	2.6
335.22272	1.9
353.23294	100.0
354.23657	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2334
Annotation	(-)-Enunicelline
Peak:m/z	Relative Intensity
57.03445	8.1
59.01374	7.1
61.98821	2.7
69.03461	1.1
69.23871	7.6
71.01376	4.4
71.05016	2.1
72.02169	1.5
73.02953	17.3
83.05022	3.2
85.02960	3.6
86.52910	1.1
87.04514	63.9
88.04829	1.2
97.06589	9.3
99.04520	4.5
111.08190	1.2
119.08678	1.0
121.10194	1.0
123.08207	1.6
137.09709	12.1
139.11295	1.4
149.09727	1.6
151.11293	7.0
153.12837	2.3
155.10745	6.0
167.10764	2.1
169.12323	2.1
171.13902	1.5
181.12236	1.5
185.11787	1.3
203.18130	1.2
243.39287	0.9
278.17670	2.1
304.15347	1.1
309.24411	0.9
322.16443	1.2
335.66202	1.1
348.87561	0.9
353.23315	100.0
354.23590	12.6
368.93045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2331
Annotation	Prostaglandin H1
Peak:m/z	Relative Intensity
56.21886	1.0
57.03448	1.0
59.01376	5.7
60.26849	1.0
61.98838	1.3
71.04979	1.0
71.52517	1.4
73.02945	14.4
81.07095	3.9
83.05024	2.0
85.02982	1.0
91.06823	1.0
98.03706	6.2
101.06102	1.8
123.08102	1.6
131.68219	0.9
154.85619	0.9
165.12799	2.6
169.12300	2.0
169.26463	1.0
181.15929	1.8
183.13899	2.2
209.15475	45.7
210.15874	3.6
211.17038	1.7
233.19084	8.2
234.19418	1.7
239.16495	6.1
251.20164	10.9
252.20372	1.6
253.14383	3.9
254.15175	1.5
265.18033	2.6
272.13052	1.1
291.23248	4.4
309.24429	4.9
353.23325	100.0
354.23651	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	353.2333
Annotation	8-iso-13,14-dihydro-15-keto-PGF2alpha
Peak:m/z	Relative Intensity
57.03453	3.6
57.07929	0.5
57.17599	0.4
59.01395	2.5
61.25194	0.5
61.98818	1.9
68.52768	0.5
69.03458	4.5
69.71344	2.6
71.01381	1.5
71.05027	3.0
71.32539	0.4
73.02953	2.0
81.03463	0.9
81.07073	1.3
83.05035	4.0
85.02953	1.1
85.06582	0.8
87.04519	5.7
95.05008	0.8
97.06629	1.0
98.19930	1.0
99.04520	17.5
100.69528	0.5
101.06071	2.4
109.06597	4.8
111.08163	0.8
113.06101	0.8
127.07676	2.3
135.08194	0.7
153.09227	3.1
155.10823	0.5
165.12857	1.0
173.11914	0.5
181.12308	2.1
191.05627	0.5
209.15517	1.0
223.17087	0.6
247.17038	1.0
251.20065	0.7
253.14494	0.7
265.17740	0.5
291.23196	0.5
307.22827	1.2
309.24323	1.4
353.23312	100.0
354.23672	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1505
Annotation	CHEBI:70494
Peak:m/z	Relative Intensity
54.31628	1.2
58.81473	1.1
59.01371	4.8
61.35256	1.0
61.98828	14.3
63.12026	1.4
69.45930	5.0
69.46339	2.5
71.05018	1.8
73.02935	3.0
79.15008	1.1
86.06112	28.7
87.04503	3.1
92.05058	69.7
93.05376	1.5
96.96004	1.3
99.04547	1.0
116.05020	1.9
118.02973	1.5
136.04041	73.4
137.04384	3.1
144.04504	2.4
147.04546	1.7
147.05647	3.0
174.01715	1.4
194.09686	2.3
216.10263	10.6
217.10486	1.6
222.09233	80.9
223.09570	5.7
236.43314	1.1
238.15164	1.4
239.11877	2.6
265.09756	1.5
309.16132	7.1
309.24374	1.1
353.15042	100.0
353.23267	8.5
354.15424	14.3
354.22787	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
54.96969	0.3
70.06318	0.5
70.06712	0.7
73.46478	0.2
79.95721	0.5
87.07394	0.3
89.80182	0.2
96.96005	4.3
98.19972	0.3
147.08092	0.3
148.93144	0.3
163.11281	88.7
164.11594	5.9
177.09201	69.7
178.09561	3.9
222.08900	0.7
353.21176	100.0
354.21512	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.7
61.98829	100.0
63.60981	0.4
70.66092	0.7
70.66419	0.6
76.41560	0.4
78.91890	1.0
101.02441	0.4
103.03191	0.4
123.81636	0.4
129.49605	0.4
138.54706	0.4
149.01949	0.4
149.39465	0.4
188.52623	0.4
250.92197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.7
57.03437	2.9
58.00573	0.8
59.01379	25.9
60.03623	0.6
61.98818	2.8
69.03444	0.8
69.87801	1.2
69.88209	2.3
71.01379	43.1
72.01699	0.7
72.99312	2.7
73.02946	25.1
74.57522	0.6
75.00852	1.0
81.03433	0.9
83.01386	8.0
85.02949	21.2
86.00092	1.0
87.00854	3.4
89.02444	10.2
95.01383	3.8
97.02962	2.0
99.00880	10.5
101.02438	45.3
108.04585	0.8
110.06110	4.5
111.00882	1.1
112.00210	0.7
112.04029	2.1
113.02443	18.2
115.04024	1.2
119.03493	1.5
123.03259	2.2
124.04038	3.0
125.02435	2.0
129.01949	1.0
131.03502	2.9
134.06128	2.4
135.04510	1.9
136.04018	1.4
136.07680	2.2
137.05968	0.8
138.05612	16.8
140.07175	1.0
143.03476	2.3
159.02989	2.7
161.04546	17.4
179.03447	1.1
184.06158	4.0
191.05580	2.4
221.10286	100.0
222.10677	5.2
231.11479	2.4
233.06639	2.0
273.12555	1.4
291.13486	1.2
293.11441	2.3
335.12457	2.3
344.16992	0.9
353.14505	98.1
354.14862	9.6
371.83426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13321	1.3
59.01376	13.6
60.01725	2.1
61.01799	2.7
61.98831	100.0
62.98564	1.5
67.77205	1.2
69.27500	10.4
120.00645	1.2
135.04475	1.3
144.60352	1.2
154.60222	1.4
164.07227	1.4
178.12259	2.0
189.50111	1.2
198.10869	1.2
198.85863	1.2
204.40150	1.3
236.58087	1.6
352.22189	6.2
353.23160	4.8
361.54034	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	352.1402
Annotation	AB 3217A
Peak:m/z	Relative Intensity
55.64660	6.5
57.03456	9.0
57.71347	6.2
59.01380	76.4
61.94409	6.0
61.98828	100.0
67.93600	6.4
69.19234	6.2
71.01367	16.6
72.99306	19.5
75.00865	8.6
77.86234	7.6
85.02986	7.9
95.01394	10.3
98.10403	8.5
98.19868	15.5
99.00855	28.6
99.04494	15.0
103.94235	6.8
108.02229	9.4
109.02945	10.4
111.00875	15.5
112.98814	36.7
118.02950	14.5
123.04544	12.2
129.01906	13.9
129.09204	12.3
136.04036	7.8
137.77466	7.1
138.33394	7.2
138.58595	8.9
142.99858	50.4
144.95308	9.7
151.03986	11.6
156.00647	65.6
173.00737	10.4
174.01657	25.6
178.12350	68.0
179.12674	8.4
183.10202	6.9
190.12370	14.0
192.13989	17.1
193.12373	8.7
196.25586	7.8
207.10231	22.2
218.11794	16.6
220.13643	9.1
221.11830	64.5
230.11763	27.8
233.11697	13.5
234.11333	20.7
235.13293	13.4
248.12875	26.4
260.12921	11.8
263.12839	8.3
274.10776	11.3
292.12045	9.1
326.84601	7.2
334.12799	12.4
352.21881	24.9
353.23273	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2175
Annotation	Neorustmicin D
Peak:m/z	Relative Intensity
57.03446	3.5
57.40949	0.4
58.00587	0.6
59.01374	6.5
59.98519	0.5
61.98824	1.0
66.35564	0.5
69.03452	4.6
69.29205	3.5
71.01379	0.7
71.05005	1.8
73.02946	3.5
80.67135	0.4
81.07092	0.8
83.05016	6.2
95.05017	1.5
97.06584	5.2
99.00854	0.7
99.04515	20.8
99.08163	1.4
107.05004	2.1
109.06608	3.0
111.04529	0.8
111.08122	0.7
112.98788	1.2
113.02487	0.7
116.87732	0.4
119.08656	7.8
120.09006	0.6
121.06580	1.1
121.10228	0.4
123.08160	2.2
125.09722	1.0
127.07610	0.6
129.09251	0.5
133.10226	1.0
135.08144	1.1
137.09717	11.6
139.11255	0.7
140.18152	0.4
141.09076	0.5
142.99857	1.5
149.09668	0.9
151.11266	2.0
153.09229	3.5
156.00638	1.4
163.07614	1.0
165.09201	1.0
167.10768	1.0
169.12367	0.7
174.01697	1.0
178.12325	0.8
179.10739	1.4
181.08676	10.2
182.08961	0.6
183.10234	3.3
190.12375	0.5
201.16487	2.9
218.11755	1.0
219.17554	0.9
221.11784	0.9
230.11946	0.5
245.15433	2.2
246.15971	0.5
248.12784	0.9
257.68307	0.4
263.16565	2.2
314.64502	0.4
333.20801	3.5
351.21738	100.0
352.22086	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	351.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
56.44550	0.8
57.03447	0.7
59.01382	3.9
61.98816	2.7
69.03435	1.1
71.05025	0.9
71.52219	1.8
73.02945	51.4
81.03461	0.8
81.07076	1.9
95.76984	0.8
97.06590	5.9
121.06562	3.7
123.08121	2.3
123.74979	0.8
135.08134	2.5
137.09717	24.4
138.10011	1.1
142.20300	0.9
177.12834	0.8
179.10851	1.0
180.11116	0.9
189.12773	0.9
193.15967	16.3
194.16295	1.1
203.52596	0.8
218.38734	0.9
219.17566	6.8
237.14955	100.0
238.15274	6.8
263.13876	1.4
263.16534	27.5
264.16791	3.4
307.22601	0.8
333.20599	1.8
351.17822	1.2
351.21759	10.4
352.21625	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	351.2178
Annotation	6beta,7beta,9alpha-Trihydroxy-8,13-epoxy-labd-14-en-11-one
Peak:m/z	Relative Intensity
57.03455	3.2
59.01373	1.9
61.98825	0.6
63.32281	0.3
69.03461	2.7
69.28111	1.9
69.28526	0.9
73.02948	2.7
74.45011	0.4
81.03455	0.4
81.07096	10.0
83.05031	7.4
85.02949	0.9
87.04523	1.4
89.21037	0.4
93.03440	0.4
95.05034	3.3
97.02958	0.4
99.04509	1.7
107.05013	3.5
113.06100	1.1
117.07143	0.5
119.08666	19.9
120.08985	1.0
121.06591	1.9
133.10245	0.4
135.08176	1.5
137.09721	31.7
138.10054	1.7
151.11308	1.4
152.80843	0.4
153.09200	0.8
161.27513	0.4
162.00511	0.4
163.07591	1.9
169.12463	0.6
175.14899	0.5
179.10684	0.7
181.08702	21.8
182.09038	1.3
201.16487	0.8
219.13948	0.9
237.14998	0.9
245.15480	0.8
263.16330	1.9
281.17578	1.3
333.20718	0.7
351.21744	100.0
352.22079	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	351.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.4
57.03453	8.0
58.99592	1.8
59.01374	5.4
61.98828	2.4
69.03460	3.5
69.21189	7.3
71.05016	2.3
73.02943	2.9
81.07092	4.4
83.05022	7.4
84.04563	0.8
84.44599	0.7
85.02975	1.3
95.05032	2.3
97.06583	1.5
99.04524	4.3
107.05016	5.0
109.02891	0.9
111.08104	0.9
115.02218	1.7
119.08667	12.6
120.08952	1.4
121.06626	1.2
125.09709	2.5
133.10236	0.8
134.91702	0.8
135.08131	2.3
137.09718	19.7
149.06047	0.9
151.11255	0.9
153.09233	2.4
155.07143	1.6
162.02304	3.8
163.07684	3.8
179.10756	3.6
181.08714	16.5
182.09047	1.1
201.16451	1.3
205.08653	1.2
219.13873	1.1
221.11649	0.9
223.08005	2.8
245.15550	1.3
263.16544	3.3
281.17578	3.7
333.20789	1.4
351.21768	100.0
352.22095	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	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54549	0.9
54.64893	0.9
55.01866	1.1
57.03441	2.1
57.32311	1.0
58.02964	1.6
59.01382	20.2
61.98822	2.8
63.44279	0.9
68.99810	3.2
69.43440	2.2
69.43849	4.4
71.01386	15.5
72.99304	3.4
73.02930	1.3
73.18251	0.9
74.43693	0.9
75.00868	14.4
85.02955	18.5
87.00870	6.9
89.02439	4.5
95.01384	7.1
96.09061	1.0
96.99296	3.9
99.00880	8.5
101.02436	1.5
101.06079	100.0
102.06436	2.4
103.00377	1.6
111.00914	0.9
113.02449	24.8
115.00402	4.6
117.01926	2.6
119.05007	1.0
125.07205	1.8
127.05104	2.0
129.01918	2.3
134.03728	6.0
136.07692	1.9
138.05614	1.3
149.06026	1.3
151.00357	1.2
161.02437	0.9
166.05139	1.6
170.04657	1.0
175.02455	7.6
175.03754	1.2
188.04813	1.0
193.05035	3.7
203.07156	2.1
210.04022	1.4
216.87846	0.9
219.06561	1.7
222.70271	1.0
246.11150	0.9
247.06175	2.9
247.10886	3.4
249.06149	4.5
267.07330	2.3
271.10687	0.9
289.11945	1.8
291.05344	1.0
307.07861	1.4
307.12927	8.0
333.11725	2.2
351.07449	3.7
351.12909	96.3
351.16296	4.1
352.13278	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	351.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35605	1.6
58.02976	22.8
59.01382	9.2
61.98817	6.2
70.71200	4.2
71.01386	2.8
74.02454	1.9
84.04544	4.0
85.02975	1.5
86.08012	1.7
97.27779	1.6
98.02460	2.1
101.07224	7.5
109.04073	2.1
119.05044	17.7
124.99615	1.6
125.07215	37.4
127.05132	32.2
128.03569	8.3
136.07664	3.3
143.08253	15.4
178.08710	2.6
212.14494	1.4
221.12953	13.7
247.10864	39.9
248.11194	3.0
252.96744	1.6
263.13983	10.4
265.11899	26.8
266.12164	1.7
289.11926	3.6
307.12988	100.0
308.13239	10.3
351.12332	2.5
351.16574	5.3
357.35367	1.5
359.47125	1.4
362.14542	1.6
374.61362	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	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
59.01378	11.7
62.50543	0.5
68.99831	0.9
69.03450	0.8
70.04336	2.3
71.01382	10.9
72.99323	3.5
73.02919	0.9
75.00473	1.1
75.00877	14.8
77.88654	0.5
78.95868	0.7
81.03478	0.6
85.02953	13.8
85.58989	0.6
87.00879	5.4
89.02441	2.9
95.01392	3.6
99.00877	7.0
101.06081	100.0
102.06425	3.2
102.79543	0.7
103.00336	1.1
113.02450	16.7
114.02808	0.7
115.00372	2.2
117.01936	2.0
122.06079	0.8
129.01889	1.1
157.01340	0.7
175.02467	2.5
212.05539	1.2
228.89316	0.7
231.05110	2.8
249.06154	15.1
333.11920	2.8
338.43402	0.6
351.12943	72.9
352.13245	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	351.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.3
58.02711	2.2
58.02978	24.2
59.01386	22.0
59.05273	1.9
61.68239	1.8
61.98830	8.6
68.48664	1.7
68.99810	6.9
71.01384	12.6
71.51244	2.3
72.99288	3.8
74.02464	2.8
75.00863	12.2
78.54779	1.6
79.09864	1.6
79.70186	1.7
83.01410	2.1
84.04533	4.9
85.02941	14.3
87.00874	5.6
89.02425	3.7
95.01369	5.3
96.99310	4.9
99.00871	6.2
101.06088	68.5
101.07124	9.7
109.04076	4.2
110.02465	4.8
113.02451	18.3
115.00311	2.7
115.92213	2.2
117.01911	1.7
117.84094	1.8
119.05045	14.2
122.06126	2.8
125.07219	29.6
127.05134	31.5
128.03522	3.7
129.01953	3.0
134.03717	11.1
136.04054	2.6
136.07674	12.5
143.08238	11.4
154.05215	2.8
157.01410	2.5
164.92143	2.3
170.04593	12.9
175.02538	8.8
175.03908	2.6
189.15778	2.3
193.05051	7.8
204.10352	2.8
221.12970	13.7
240.77725	1.7
247.05983	2.1
247.10851	44.0
247.13196	2.9
248.11102	3.3
249.06052	3.1
255.10129	1.9
263.13971	6.7
265.11874	24.7
266.12201	2.6
289.11978	3.2
307.12988	100.0
308.13348	8.4
351.07339	7.4
351.12857	63.4
351.16321	2.6
352.13287	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	349.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99785	0.2
51.55141	0.3
52.63384	0.3
57.60232	0.2
59.01379	100.0
60.01718	1.1
60.59669	0.3
61.98839	0.3
66.20148	0.3
70.83406	0.5
71.01377	2.6
79.00052	0.3
83.01400	0.3
85.02968	0.3
89.02444	3.8
101.02445	1.7
113.02448	1.6
119.03517	1.3
128.61697	0.3
143.03513	0.4
149.04660	0.3
179.05663	0.7
202.15910	0.3
202.85381	0.3
312.37476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32183	20.0
59.01372	100.0
61.98822	39.0
97.00246	22.2
98.19760	40.9
105.69744	22.1
146.16927	27.6
293.21176	26.5
311.22223	99.6
349.23932	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.9
59.01379	100.0
60.01701	1.2
61.98834	3.1
71.01375	1.9
71.52909	1.3
83.05033	1.9
86.04988	1.1
90.98621	1.4
109.06576	2.0
114.51525	1.3
121.23112	1.0
123.08117	1.6
134.03761	1.2
135.04604	1.2
149.06149	1.4
151.07651	7.9
166.99284	1.0
169.83604	1.0
177.34360	1.2
192.23740	1.0
207.06615	2.6
209.09401	1.2
217.12714	1.5
231.13847	2.0
252.45287	1.1
271.17023	4.2
321.75635	1.2
349.16528	1.7
349.20297	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1137
Annotation	Prodiamine
Peak:m/z	Relative Intensity
55.01849	0.9
57.03439	2.5
59.01109	1.2
59.01376	16.0
59.43893	0.7
61.98818	0.8
66.91793	0.7
67.25468	0.8
68.99823	1.0
69.85710	3.8
69.86063	1.6
71.01382	16.0
72.99310	5.3
73.02951	2.4
75.00871	20.5
83.01385	1.2
85.02950	16.9
87.00881	6.2
89.02454	4.2
95.01375	6.2
97.06689	0.9
98.20568	1.2
99.00885	11.2
99.04519	100.0
100.04854	3.3
100.20009	0.9
103.00375	2.0
111.00860	0.9
113.01643	1.0
113.02451	20.8
115.00378	1.9
115.91965	1.0
117.01931	2.4
129.01920	1.5
172.36713	1.1
175.02443	1.8
231.05113	3.2
249.06148	26.4
250.06412	1.2
267.07306	3.9
313.40921	0.9
331.10196	3.2
349.11383	74.3
350.11703	6.4
352.97217	1.0
366.94223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
57.03434	0.5
57.85690	0.4
59.01379	100.0
59.91677	0.4
60.01718	1.1
61.98827	0.9
69.32199	3.7
71.01380	3.6
73.02956	1.5
83.01393	0.6
85.02969	1.7
89.02454	0.8
90.06358	0.4
98.20613	0.8
99.00884	0.8
101.02460	2.8
102.05628	1.2
113.02489	1.3
159.02876	0.5
161.04524	2.6
222.20305	0.4
264.13654	0.4
278.15997	1.0
286.04407	1.0
289.16519	2.2
322.14905	0.7
349.19604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34402	0.6
56.28131	0.6
57.03440	2.0
59.01377	14.7
59.02691	0.5
61.98839	0.7
62.13130	0.5
66.07421	0.5
66.49023	0.6
69.38462	4.3
71.01382	3.5
75.00871	1.1
83.05035	3.8
85.02948	0.7
86.60519	0.7
89.02397	0.7
94.77586	0.5
101.02463	1.5
103.00375	100.0
104.00729	1.8
109.02935	1.1
109.06598	0.9
111.08160	34.7
112.08459	1.4
113.02440	1.9
115.92039	1.2
117.91901	0.8
118.92727	1.1
119.04961	0.7
123.04527	2.0
125.09634	0.7
129.09232	1.8
131.03552	0.7
134.03719	4.1
137.02412	1.0
138.08188	0.6
142.36491	0.6
149.06075	4.7
151.03981	3.3
153.09238	1.6
153.60059	0.6
169.08733	1.1
173.08183	39.6
174.08508	1.2
187.09715	1.2
197.08188	5.0
198.08466	0.6
201.11198	0.8
215.09216	4.3
239.12843	1.3
245.10271	0.9
301.10770	3.2
349.11212	13.8
350.11819	1.8
350.16599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80185	0.6
59.01379	1.9
61.98831	100.0
63.99253	0.8
78.27588	0.6
89.02419	3.3
91.15411	0.7
101.02471	2.2
108.90208	3.9
115.38724	0.6
118.62459	0.7
121.94404	1.0
125.45193	0.7
135.92093	3.8
137.91850	0.9
146.86705	1.0
146.96599	9.2
147.19167	0.8
149.04541	3.8
154.15471	0.7
171.88882	6.2
173.88576	9.2
179.21251	0.7
181.91765	0.7
198.90761	37.8
200.90474	15.1
206.97441	13.7
207.97505	0.9
274.88190	1.9
276.87878	0.8
292.89032	1.3
294.89172	0.7
313.11536	2.5
349.07123	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	348.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98541	0.4
65.90477	0.2
69.74927	0.6
87.99625	0.2
94.82205	0.2
97.51004	0.2
98.24645	0.2
119.35189	0.2
162.98482	2.2
164.96414	0.2
203.99940	0.3
205.00151	0.5
205.99765	0.7
206.97441	75.1
207.97537	5.7
348.98630	0.6
351.94144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12670	1.7
57.60641	1.5
59.01373	5.2
61.98836	3.4
66.03509	1.6
70.91693	2.2
70.92064	2.6
71.01366	2.1
71.74142	1.5
75.07865	1.5
82.06619	5.9
84.04557	16.9
96.04540	16.3
98.02457	1.5
100.04033	15.2
100.46193	1.6
102.05612	100.0
122.34776	1.6
126.05591	3.6
128.03542	16.4
131.00380	1.5
133.02957	3.0
135.06883	11.4
146.04599	10.7
149.70366	1.5
150.09251	4.0
150.44810	1.5
152.10811	20.3
161.07137	2.6
162.18968	1.3
164.10797	34.6
173.10834	6.2
174.09250	3.9
176.10785	3.0
190.11110	6.8
191.11891	12.9
192.12654	4.4
198.19756	1.8
216.13963	2.0
233.16591	44.5
234.16905	5.0
259.14456	9.3
259.83792	1.6
277.15549	48.2
278.15915	5.0
285.04016	20.1
303.13470	7.4
305.27527	1.7
321.14539	60.6
322.14844	7.5
348.15567	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	348.036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.6
61.98830	100.0
76.38598	0.8
87.00876	0.8
145.25562	0.8
285.04047	9.2
286.04376	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	348.036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.5
61.76096	0.9
61.98835	15.2
63.13505	1.2
65.52805	0.9
68.37392	0.9
69.24222	6.3
69.24639	3.0
69.29790	1.0
92.73314	0.9
98.20699	2.3
105.69619	1.0
107.01372	2.8
133.02951	12.8
148.07376	1.0
149.02466	1.4
151.00316	6.1
153.81725	1.1
175.03961	2.6
179.44673	1.0
199.04002	2.3
201.01913	1.0
217.05046	1.1
241.05074	2.1
285.04028	100.0
286.04327	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	347.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34219	2.2
50.96775	2.3
54.05394	2.3
59.01389	15.1
61.98820	3.6
64.18283	2.4
66.03471	5.2
71.50130	3.3
75.62360	2.5
82.02979	17.0
84.04555	5.5
96.04546	30.8
97.04073	10.4
98.20774	3.9
101.07198	7.8
109.04063	7.0
121.05353	7.1
125.03535	7.4
127.05135	100.0
128.03546	2.7
135.06920	24.7
136.07593	3.0
145.06187	31.5
150.09239	23.6
164.09477	5.3
164.10800	99.3
165.11201	4.1
166.12434	4.9
167.92398	2.4
175.12379	3.9
176.10864	11.7
179.11940	5.4
191.11903	3.2
192.10310	7.2
193.13432	63.2
214.85735	2.7
233.16658	6.0
259.14453	9.8
276.17142	94.1
277.17380	8.6
320.16141	67.3
321.16467	7.6
347.17206	2.8
347.24170	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	347.2225
Annotation	ACTG toxin B
Peak:m/z	Relative Intensity
50.07830	0.3
57.03450	2.8
59.01377	1.3
61.98810	0.4
70.48438	0.5
70.48792	0.6
71.01374	0.6
81.03462	1.4
83.05025	4.1
85.02956	2.4
93.03457	0.4
95.05036	1.1
97.06594	0.4
99.04519	0.6
101.06053	0.3
108.02173	1.9
109.02962	1.6
111.04518	5.1
111.05241	0.5
113.06086	0.5
121.02954	0.6
122.03673	0.3
123.04539	3.6
125.09729	0.4
127.04020	5.1
129.05551	0.5
139.03979	0.7
140.04797	1.5
141.05551	0.6
172.03778	14.8
173.04013	0.5
189.16479	4.5
193.15939	0.7
207.17490	1.0
217.15973	4.6
218.16327	0.3
219.17613	0.4
259.17114	0.7
271.16974	0.5
311.19821	0.4
329.21204	0.5
347.22253	100.0
348.22614	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	347.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13115	0.9
55.01883	3.4
59.01376	12.5
59.32051	0.8
59.65712	0.7
69.21415	5.8
71.01378	5.4
73.02941	3.8
75.00871	4.9
85.02944	4.2
89.02448	1.9
91.67767	0.7
98.20640	1.6
99.00884	0.9
100.91113	0.7
101.02448	2.8
113.02499	0.8
120.04140	0.7
129.01907	2.8
135.08151	1.0
137.09718	8.8
139.11313	1.7
140.15314	0.6
147.02988	7.8
155.10771	100.0
156.11055	5.4
167.10793	0.8
169.12373	0.9
183.10211	1.9
199.09741	57.8
200.10080	3.8
211.63007	0.7
214.63670	0.7
243.12199	1.5
256.24805	0.8
261.66309	0.8
313.37222	0.7
329.12457	1.6
347.13428	35.1
347.17200	15.0
348.13733	3.5
348.17554	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	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59313	0.6
59.01378	100.0
59.85655	0.6
60.01731	0.8
61.98842	1.7
66.52878	0.6
71.01367	3.5
71.52707	0.8
89.02442	4.5
101.02464	1.7
102.05608	3.5
113.02459	1.4
119.03486	1.2
119.04985	0.8
123.34470	0.6
135.04497	0.6
150.09340	0.8
152.10806	0.9
164.10794	1.2
167.07123	1.5
233.16733	0.8
245.13026	0.7
277.15530	0.9
279.71042	0.7
315.09836	1.2
321.14673	1.3
347.24005	0.7
357.19156	0.9
368.75458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.8
60.01686	0.6
61.98812	0.6
69.28439	3.6
71.01381	4.0
73.02946	1.2
75.00870	0.8
85.02951	1.7
89.02443	1.3
98.20617	1.0
99.00811	0.5
99.92584	9.3
100.93381	1.8
101.02452	1.4
103.00375	100.0
104.00712	1.1
107.08674	0.6
109.06581	3.4
110.79988	0.5
113.02454	2.2
114.94933	1.4
115.92075	21.7
116.92147	1.2
116.92861	23.3
117.92861	1.4
127.07661	27.0
128.03503	0.8
128.08012	0.6
141.09248	0.5
151.07660	2.6
158.93901	2.9
163.07619	0.9
171.06616	15.2
171.08066	0.8
172.06969	0.6
184.91885	1.0
195.06656	3.4
199.00694	6.1
202.92882	0.8
227.03644	0.6
243.08734	0.6
259.14630	1.0
341.24496	0.7
347.00604	0.8
347.09665	8.2
348.10367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0982
Annotation	Stilbericoside
Peak:m/z	Relative Intensity
55.01862	1.8
57.03445	5.7
58.00589	2.4
59.01379	91.9
60.01698	1.3
61.98819	2.0
68.99820	1.7
69.03449	3.2
70.52254	2.4
71.01382	64.5
72.01723	0.8
72.99310	7.7
73.02956	5.3
81.03455	3.6
81.12132	0.7
83.01388	100.0
84.01720	1.9
84.02180	0.8
85.02948	14.6
87.00868	6.8
87.04514	2.0
89.02444	80.8
90.02788	1.3
93.03430	0.8
94.73833	0.7
95.01385	3.2
95.05036	1.9
97.02941	4.0
99.00890	5.8
99.04501	1.0
99.66206	0.9
101.02444	44.5
102.02769	1.1
103.00372	1.0
109.02995	1.3
111.04491	0.7
113.02451	27.9
114.02776	0.9
115.03999	1.3
119.03507	32.1
123.04519	4.5
125.02441	21.6
126.02776	0.9
131.03502	3.9
137.02452	2.5
137.06055	0.9
139.04008	0.9
143.03493	14.5
147.04366	0.7
148.01672	1.4
149.02451	1.2
149.04559	3.8
155.03456	3.6
161.04568	11.3
167.03508	9.5
179.05606	46.7
180.05936	1.6
185.04567	2.0
191.03471	4.3
209.04587	3.5
227.05574	1.6
263.07642	5.2
280.70538	0.7
329.08688	5.6
347.09857	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1618
Annotation	Asp Thr Leu
Peak:m/z	Relative Intensity
59.01383	8.6
61.98824	2.5
70.12177	3.1
71.01382	4.1
73.02949	1.3
73.04073	2.6
81.02206	1.9
82.02981	2.5
83.01401	9.5
83.02512	13.6
84.00907	6.3
85.02944	2.1
87.00879	1.3
89.02449	8.3
96.00902	8.0
98.02460	8.8
101.02459	4.6
102.54877	0.9
108.08083	1.0
110.02483	26.1
112.04044	3.7
113.02451	2.0
113.03580	6.3
113.81647	0.9
114.02001	1.1
119.03491	2.6
125.02424	2.7
127.05124	5.5
130.08740	54.0
131.09036	2.1
134.06110	1.2
138.09245	16.1
139.08716	1.4
143.03558	1.5
143.11914	4.4
148.75790	0.9
157.97285	1.1
169.09819	7.9
171.04126	3.5
177.10318	1.3
179.05667	4.6
179.11926	2.9
180.05429	4.2
185.04655	0.9
187.10881	5.9
195.11406	1.4
205.09813	4.3
223.05299	1.1
223.10834	9.5
231.13498	2.7
267.09848	100.0
268.10220	7.7
284.12518	51.4
284.15076	0.8
285.12790	4.0
293.11636	1.7
302.13586	1.5
311.12439	13.0
312.12738	1.4
328.15143	21.4
329.15259	2.1
346.16275	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	346.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01076	0.2
59.01377	3.7
60.01710	0.2
61.98830	100.0
65.41955	0.1
69.75747	0.8
111.76400	0.2
117.23073	0.2
123.96614	0.2
129.43134	0.2
158.03543	0.2
201.02559	0.4
202.02690	1.4
203.02328	1.7
203.99986	44.4
205.00119	4.7
256.73218	0.2
346.01056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29953	0.9
53.81268	0.9
56.30209	1.0
59.01376	13.9
61.40125	1.4
61.98833	4.6
65.90272	1.0
69.60810	7.2
71.01034	1.7
71.01382	8.7
73.04075	2.6
82.02981	1.4
83.01400	11.8
83.02510	16.0
84.00904	9.9
85.00435	1.0
85.02980	2.5
86.05255	1.0
88.13404	1.1
89.02450	10.2
90.93392	1.0
95.01337	1.4
95.05054	1.3
96.00912	7.4
98.02480	9.6
101.02473	5.9
103.63933	1.0
104.03574	1.4
110.02473	23.6
112.04045	3.1
113.02445	3.8
113.03571	7.8
114.01936	1.2
119.03518	3.7
124.04003	1.3
125.02448	2.8
127.05122	8.4
128.03511	2.3
130.08739	61.9
131.09058	1.7
138.09254	16.1
141.10391	1.2
143.03561	1.5
143.11908	5.7
154.03706	1.0
156.06664	1.3
161.04558	2.2
167.03484	2.1
169.09808	11.4
171.04172	2.4
179.05643	4.3
179.11865	3.3
180.05394	3.6
187.10919	6.9
195.11340	2.0
197.12886	1.5
205.09784	2.6
223.10919	10.0
231.13469	2.9
241.11797	1.1
253.16048	1.2
267.09848	100.0
268.10217	7.5
284.12497	48.2
284.15634	2.4
285.12863	3.6
293.11560	1.2
302.13464	2.3
310.13992	2.8
311.12427	10.9
328.15115	24.4
328.18765	2.3
329.15103	1.7
346.16257	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	345.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.7
70.67830	10.0
70.68138	7.7
87.05417	6.5
130.42587	5.1
137.09700	6.1
144.32846	5.3
171.10281	6.8
185.11803	7.9
211.13414	32.9
291.19650	100.0
292.19949	7.0
309.20755	36.4
345.25674	12.0
368.37790	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	345.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04854	5.1
55.65553	5.5
59.01381	100.0
61.42719	5.6
61.98835	32.9
70.07023	19.5
74.13202	5.3
88.18650	4.7
104.76009	5.0
122.74259	4.8
139.00356	7.7
153.86281	5.0
181.77753	6.0
182.99332	7.4
291.19617	26.7
309.20706	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1554
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
52.74958	1.0
55.01878	3.5
55.90763	1.0
57.03442	3.4
58.00580	2.1
59.01379	92.7
69.44279	8.4
71.01380	54.2
72.99300	4.4
73.02944	8.7
83.01383	6.0
85.02947	18.5
87.00889	1.4
89.02444	37.8
95.01415	5.5
95.18841	1.0
99.00875	4.5
101.02443	42.7
101.03112	2.4
101.14396	0.9
111.65517	1.0
113.02450	21.0
119.03499	17.5
120.99732	2.5
121.10249	8.2
131.03499	1.7
139.11298	2.8
143.03511	2.5
145.49673	1.0
149.02385	1.5
153.09203	2.9
159.02930	1.9
161.04550	4.4
165.09200	2.2
170.72549	1.0
179.05606	1.7
179.07140	1.2
181.12350	1.5
183.10255	4.7
185.64305	1.0
197.08128	1.4
198.62523	1.2
225.11380	1.5
243.12363	10.4
285.13345	4.6
297.11304	2.1
299.15109	1.2
345.15503	100.0
346.15866	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	345.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
59.01380	100.0
61.98829	5.8
68.01410	1.9
68.80709	1.0
70.78008	1.2
70.78329	2.5
71.01379	5.2
71.05009	4.2
73.02956	1.4
83.01382	1.9
85.02955	5.2
88.04060	1.9
95.05031	2.8
97.02952	6.8
101.02438	6.9
105.03508	2.3
110.02468	1.4
111.02018	15.5
113.02403	2.1
121.02895	1.2
123.04527	97.3
124.04855	3.3
128.03540	2.7
130.08716	1.8
135.04588	1.6
139.04007	43.4
140.04358	1.7
147.06625	28.7
147.95374	1.2
151.02711	1.2
151.05115	5.7
160.03978	1.3
161.04541	6.1
165.05579	1.8
170.85219	1.3
183.02950	3.2
186.12511	2.5
187.10915	1.5
199.10820	1.5
200.27127	1.3
204.33070	1.4
213.05173	30.4
214.05385	1.7
285.09839	2.0
295.18787	1.2
309.11780	2.4
345.09082	11.8
345.17804	2.5
346.16211	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	345.1091
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
50.89685	0.6
59.01376	3.9
71.01376	0.8
83.01391	0.7
83.83987	0.6
84.04554	0.6
94.02942	0.7
95.03765	2.3
96.04538	0.7
96.08212	0.8
97.01038	0.6
103.00393	2.0
104.05073	1.5
106.06640	4.9
120.04486	0.8
120.99658	1.6
122.06139	3.0
124.07687	7.2
125.08037	0.7
132.04562	34.5
133.05365	22.7
133.09477	0.7
134.03792	0.9
134.06163	4.6
139.11331	0.8
139.32820	0.7
146.03848	0.8
148.04037	2.2
149.06099	1.5
150.05632	1.2
152.07173	0.9
165.04312	22.8
165.05681	1.4
166.04735	0.9
167.07152	1.0
176.03497	1.2
176.07039	0.7
177.04254	4.8
178.05109	1.7
180.06566	0.6
183.10211	1.9
184.07669	1.1
185.08447	1.3
186.09218	4.3
187.08800	0.6
199.08713	0.7
209.03267	5.6
212.10820	1.2
213.06737	4.0
214.12341	7.4
215.11868	6.7
226.07433	1.7
227.08086	0.7
228.95784	0.7
229.09784	3.2
240.10109	0.8
241.09808	2.7
243.12393	2.6
255.11449	2.0
257.12927	22.8
258.13290	1.7
273.08884	0.8
283.10858	9.9
284.11145	1.9
301.11929	17.1
302.12155	1.7
327.09818	1.8
335.48608	0.6
345.10898	100.0
346.11218	12.3
363.47229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.109
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
53.55149	1.2
57.03436	1.2
59.01379	55.9
71.01366	4.0
72.99284	1.2
73.02934	2.0
77.96087	1.2
79.35222	1.2
83.05023	1.4
85.02959	2.1
89.02434	3.8
95.03783	3.9
96.08199	2.3
101.02456	2.2
101.70902	1.2
104.05117	2.3
105.54831	1.1
106.06605	7.8
112.04025	2.0
114.70692	1.2
120.04591	1.7
122.06113	4.3
123.04529	1.2
124.07690	10.0
132.03546	2.6
132.04550	53.2
132.96780	1.2
133.05351	26.7
134.06158	8.1
135.04497	2.4
139.11293	22.1
140.11635	1.9
148.04030	2.8
150.05638	1.3
163.11256	2.4
165.04303	31.0
166.04594	1.4
177.04361	6.9
178.05054	2.0
181.12334	10.5
183.10263	27.0
184.07793	1.7
184.10654	2.3
185.08469	1.5
186.09264	5.2
198.09236	1.7
199.13374	2.2
209.03296	8.8
213.06715	5.3
214.12347	8.6
215.11821	11.2
225.11331	13.1
226.07597	1.3
229.09857	3.7
240.10420	2.2
241.09799	4.4
242.10378	1.2
243.12370	83.4
244.12737	5.5
249.62259	1.4
255.11421	1.4
257.12912	37.8
258.13419	2.9
283.10806	11.3
285.13425	38.7
286.13733	3.2
301.11938	29.6
302.12149	3.0
312.78677	1.4
315.12225	1.3
317.76578	1.4
345.10919	100.0
345.15338	7.4
346.11224	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	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.5
59.01374	6.3
61.98824	1.6
75.80814	1.0
76.87003	1.0
83.05034	1.2
103.19315	1.1
107.84951	1.0
121.10237	1.2
124.74761	0.9
125.09727	6.2
127.11293	8.3
134.74371	0.9
134.89485	2.1
137.09714	2.1
138.47067	0.9
139.11298	7.3
143.89386	0.9
155.10760	3.7
163.54417	1.0
165.09210	2.8
171.10278	27.1
172.10590	2.2
179.09560	0.8
194.30290	1.0
199.09755	2.7
201.11320	47.3
202.11629	3.0
212.88194	0.9
247.44724	0.9
275.20154	4.1
293.21234	3.0
301.95874	0.9
304.89133	1.1
311.22382	6.7
311.25598	1.4
325.87466	1.1
343.24884	100.0
344.25247	11.3
355.61899	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57385	1.7
52.91172	2.0
59.01375	13.8
61.98811	6.2
70.37141	6.6
74.87408	1.7
83.05027	4.9
94.85710	2.0
100.02520	1.9
104.06904	1.6
116.92834	2.4
121.02917	2.3
125.09702	5.2
127.11298	7.1
134.89468	3.3
139.11295	8.0
142.69412	2.1
149.51924	1.8
155.10764	2.5
155.83673	2.1
165.09186	3.6
171.10284	22.3
176.33984	2.3
179.38074	2.0
199.09875	3.3
201.11310	37.4
223.95905	2.0
260.46335	2.4
275.20215	3.5
293.21313	2.2
311.22223	3.5
343.24899	100.0
344.25165	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	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03444	0.8
58.00595	1.6
59.01373	0.8
70.74252	1.1
72.47892	0.4
75.68051	0.5
76.94968	0.5
83.05023	0.8
85.48257	0.5
97.06624	0.5
98.75533	0.4
121.10224	1.0
123.08124	0.5
124.77135	0.4
125.09732	5.6
127.11297	7.9
137.09711	1.7
139.11307	6.8
151.11270	0.8
153.09312	0.5
155.10809	3.1
157.12366	1.1
162.29688	0.4
165.09186	2.7
171.10284	21.3
172.10620	1.3
183.10216	1.1
199.09758	2.8
201.11330	46.1
202.11671	2.0
275.20190	3.9
289.18039	0.8
293.21280	2.6
307.18903	0.7
311.22263	3.9
311.62476	0.5
319.10797	0.6
343.24875	100.0
344.25229	11.2
344.29395	0.7
346.20230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
56.21378	0.4
57.03432	0.4
59.01371	0.6
69.03458	0.5
83.05022	1.3
93.62688	0.5
99.08152	6.4
111.08153	0.6
111.42764	0.4
121.10243	2.7
125.09716	1.2
127.11298	0.4
135.12589	0.6
137.09721	1.0
139.11308	0.9
149.14745	0.4
165.12880	0.9
171.10263	21.7
172.10570	1.1
193.12334	11.7
194.12672	0.8
197.15430	0.8
211.13356	2.2
225.14946	13.7
226.15292	1.0
243.15991	4.6
247.67212	0.6
293.21201	2.3
311.22183	0.9
325.23730	0.8
343.24854	100.0
344.25198	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.96135	0.5
65.61575	0.5
68.57335	0.5
70.56746	1.4
82.35043	0.5
88.06458	0.5
94.38023	0.6
121.10242	4.3
125.09702	1.2
127.11258	1.7
137.09732	1.1
139.11292	30.2
140.11667	1.1
153.09152	0.5
169.41943	0.4
171.10263	57.7
172.10568	2.8
183.13948	0.7
193.12291	0.5
201.11452	0.6
211.13370	3.2
293.21130	0.5
307.22733	0.7
311.22171	0.5
343.24866	100.0
344.25201	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	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89342	0.4
57.03442	0.7
59.01369	1.2
63.99864	0.4
68.42274	0.4
69.03446	1.3
70.82082	1.2
83.05032	1.0
85.93572	0.4
91.01630	0.4
97.06600	0.5
97.24429	0.4
99.08152	6.7
110.41473	0.4
121.10223	3.0
125.09713	1.8
127.11272	0.7
137.09724	1.4
139.11284	1.3
165.12918	0.8
171.10271	21.6
172.10631	1.2
181.69939	0.4
193.12337	11.4
194.12714	0.5
197.15353	0.5
202.69191	0.4
211.13396	3.3
225.14954	16.0
226.15295	1.2
243.15997	5.9
289.18152	4.1
290.18405	0.4
293.21359	1.9
325.23721	0.8
343.24875	100.0
344.25223	12.3
344.29468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23241	0.4
59.01371	2.1
61.98819	0.6
69.03454	1.9
70.34144	0.8
70.34480	0.8
83.05024	1.0
83.87415	0.4
97.06601	1.0
99.08153	10.0
103.93854	0.4
109.36392	0.4
125.09702	1.9
127.11267	0.5
129.09215	0.8
137.09688	1.2
139.11256	0.5
149.06120	0.5
149.13290	0.9
151.11324	1.0
163.11351	0.5
165.12836	1.1
171.10272	4.9
172.10619	0.5
175.11253	1.0
185.11807	0.5
193.12325	17.4
194.12688	1.2
197.15442	0.9
211.13441	3.2
211.15076	0.6
225.14954	22.4
226.15315	1.7
243.15990	7.4
244.16295	0.5
270.59619	0.5
293.21231	1.1
311.10135	0.5
311.22189	1.0
325.23874	0.9
343.24863	100.0
344.25214	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	343.168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76530	1.4
58.00598	2.2
59.01366	3.0
65.13705	1.5
69.63905	8.1
69.64326	3.2
83.05023	13.5
86.35509	1.3
92.09077	1.6
92.13802	1.4
101.06052	2.5
109.56902	1.6
121.10204	2.3
125.09702	5.6
127.11297	8.0
137.09740	2.4
139.11284	6.3
139.47601	1.3
155.10713	3.6
171.10246	22.6
199.09775	3.1
201.11322	39.7
209.11804	3.4
211.13390	3.7
215.16478	3.2
275.20129	3.8
289.18018	5.3
293.21085	2.9
299.06290	1.6
307.19147	6.1
311.22394	3.9
343.21298	7.7
343.24875	100.0
344.21637	2.5
344.25266	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56171	0.5
59.01381	100.0
60.01715	1.1
61.98848	0.5
70.70255	0.5
70.70583	0.8
71.01379	3.2
87.00844	0.5
89.02451	5.8
101.02475	1.5
101.34782	0.4
113.02490	1.4
118.25069	0.4
119.03521	1.3
130.08777	1.4
131.03549	0.4
133.03673	0.5
143.03493	0.5
146.77519	0.4
177.91542	0.4
179.05652	0.9
194.70486	0.4
343.24414	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	343.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77833	0.9
57.03433	1.3
59.01380	100.0
60.01706	1.7
61.98827	2.2
71.01379	6.1
71.51812	1.8
73.02942	1.3
83.01382	5.7
85.02976	1.9
87.00832	1.5
89.02442	7.7
101.02442	1.9
113.02455	2.0
119.03501	2.5
120.99637	1.6
121.03004	1.1
130.08693	1.7
131.09065	1.2
146.03664	1.5
149.06026	1.6
161.04573	2.7
164.04785	1.8
165.01889	1.2
165.05566	1.2
179.05659	1.3
179.07137	1.3
193.51505	1.1
195.05000	1.4
197.11757	1.6
283.11792	1.3
299.18436	1.7
326.11200	0.9
343.13446	1.4
343.17648	2.4
343.24261	2.7
346.84280	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75099	0.2
59.01379	85.1
60.01718	1.0
61.98831	0.8
67.41637	0.2
68.00487	0.2
71.49244	0.3
71.49602	0.3
84.01517	0.2
98.11622	0.2
110.10649	0.3
113.04616	0.4
115.02453	0.3
145.38847	0.2
147.60655	0.2
157.03563	8.3
158.03769	0.4
159.01501	1.9
196.44037	0.2
201.02548	100.0
202.02715	9.3
280.51355	0.3
300.99112	0.3
343.03680	2.8
344.03864	0.6
355.48849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50407	0.7
55.26785	0.7
56.42702	0.8
57.88861	0.8
59.01384	5.9
61.98816	2.4
67.71649	0.9
69.03455	0.8
69.60117	2.4
69.60544	2.8
71.08608	0.7
75.54844	0.7
83.05027	1.6
90.03499	5.5
96.96007	1.1
97.06609	0.9
98.20772	0.9
99.08154	6.0
115.07687	1.1
120.04571	1.7
121.02941	1.1
121.10208	1.3
125.09731	1.2
129.09145	1.1
132.47086	1.0
134.02486	56.6
135.02808	2.9
135.75162	0.7
137.09708	1.1
148.07649	3.0
157.21217	0.9
171.10286	6.7
176.07178	4.6
184.47040	0.9
193.12332	10.0
209.07059	0.9
210.07890	1.6
211.13411	1.9
224.09418	1.1
225.14975	14.9
237.06674	7.9
239.11880	2.7
241.09941	1.5
243.16069	6.0
251.08168	1.5
253.06100	1.0
256.09808	1.5
267.11380	52.9
268.11667	5.1
283.10995	6.6
289.18137	1.3
293.21213	2.1
307.19003	1.3
311.10355	100.0
312.10693	10.5
325.23840	0.9
343.12875	1.7
343.20746	2.8
343.24857	65.4
344.25198	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	341.3059
Annotation	1-O-Octadec-9-enyl glycerol
Peak:m/z	Relative Intensity
50.53095	0.4
50.82947	0.4
59.01370	1.0
59.51681	0.4
61.98829	0.8
65.00348	0.4
68.99563	1.9
69.37324	2.3
69.37733	0.9
71.05023	23.3
73.02943	1.3
75.00893	0.5
83.05028	0.9
98.20686	0.8
107.01337	0.4
112.98559	3.2
119.31045	0.5
134.80452	0.4
151.00377	0.7
185.00705	0.8
195.05074	1.3
239.00452	0.4
267.26935	2.6
268.27246	0.5
281.28476	25.5
282.28754	3.2
323.29532	15.4
324.29816	2.2
341.08713	0.7
341.19601	1.9
341.30591	100.0
342.30930	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	342.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01244	1.0
57.03444	1.7
58.88698	1.1
59.01385	5.3
61.98831	100.0
70.09392	1.9
70.09789	2.0
71.01371	4.3
72.01744	0.9
72.59630	1.1
75.00876	15.8
76.01228	2.1
79.67953	0.8
85.02973	4.5
86.03326	1.5
87.00880	2.5
89.02475	2.2
96.96011	2.1
98.20581	1.3
99.00878	3.4
99.01472	0.8
100.01238	1.1
102.79115	1.1
103.00389	1.2
105.00771	1.0
108.04559	0.9
109.02973	1.6
110.02464	1.1
119.05033	19.4
120.05366	15.5
121.02953	1.9
128.09531	1.0
129.01924	7.6
130.02237	4.4
163.04018	21.9
164.04356	29.1
177.04033	2.7
178.04366	2.4
181.01491	1.2
195.05099	30.3
196.05450	21.3
197.05571	2.9
270.92337	1.0
306.94394	1.4
342.09415	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	342.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52919	0.6
55.01871	1.3
56.59507	0.7
57.03445	7.5
57.06457	0.6
59.01109	1.1
59.01381	14.1
61.98813	1.6
66.01297	0.6
67.55904	0.7
69.51636	4.5
71.01385	28.0
73.02936	6.4
75.00871	3.5
83.01387	100.0
84.01731	2.4
85.02951	10.7
87.00874	1.9
89.02441	10.3
89.10528	0.7
95.01382	2.5
96.04575	1.6
96.15037	0.6
99.00895	4.3
101.02444	13.9
113.02449	14.7
116.07201	0.7
119.03510	3.2
119.05030	2.4
120.05347	1.0
125.02453	1.4
129.01964	2.3
130.02254	1.0
143.03508	2.6
159.03041	2.0
161.04552	26.6
162.04971	0.9
163.03976	1.7
164.04352	2.2
165.04111	1.0
179.05586	4.5
180.03883	0.9
195.05096	5.1
196.05472	3.6
245.06747	0.8
258.66650	0.7
258.79703	0.7
342.08588	3.4
342.12592	1.3
361.52243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2696
Annotation	Eicosanedioic acid
Peak:m/z	Relative Intensity
51.20417	0.9
57.03452	14.2
59.01385	6.3
61.98815	1.6
63.96255	0.9
69.03457	2.1
69.76891	2.9
69.77296	1.5
71.01387	5.0
71.05013	3.0
71.51855	0.9
73.77505	0.8
73.79131	0.8
75.00871	3.2
83.04981	0.9
85.02989	1.3
89.02449	4.8
92.50066	0.8
97.06590	4.6
98.20612	1.8
99.00834	1.0
99.08160	3.8
101.02460	1.5
107.01361	1.7
108.05816	0.9
111.08146	0.9
113.02406	1.2
113.09715	6.1
118.14481	1.0
119.03504	1.7
119.05014	3.0
119.08641	4.2
123.08159	2.8
125.09728	1.3
127.11269	2.0
129.01898	2.1
135.08136	1.8
137.08763	1.6
137.09723	17.3
138.10034	0.9
139.11298	1.1
141.09212	2.6
151.00371	4.2
157.12338	32.3
158.12718	1.0
163.03987	3.6
167.14479	4.3
167.15620	0.9
171.10268	32.8
172.10590	2.2
175.00360	2.2
179.05626	1.8
183.01212	2.5
185.15340	1.3
195.05000	6.3
195.17467	4.3
201.11319	10.0
210.33183	0.9
237.22159	1.6
273.18506	2.1
279.23291	3.1
281.24808	5.1
291.19589	4.3
295.26602	5.7
297.28033	8.0
298.28616	1.2
309.20782	9.8
323.22400	1.6
341.08777	1.6
341.10693	1.3
341.18454	6.8
341.23239	10.1
341.26926	100.0
342.23602	1.5
342.27264	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	341.2484
Annotation	Nostocyclyne A
Peak:m/z	Relative Intensity
61.98812	2.5
66.95262	0.8
68.99584	1.1
69.84367	3.8
71.05029	1.1
72.03599	1.0
84.30785	0.7
92.92416	0.9
108.02123	1.4
108.46950	0.9
122.03744	28.2
124.01646	3.2
135.04532	20.9
136.01662	7.4
136.04951	0.9
149.06070	3.6
163.04079	1.2
177.09212	3.0
185.00763	1.5
191.10748	3.0
195.05005	1.7
203.32281	0.8
205.12276	2.7
231.30533	0.9
233.42461	0.9
311.20108	1.0
339.23181	4.8
340.23624	1.8
341.24838	100.0
342.25208	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23381	0.6
57.03443	3.0
59.01366	1.9
66.32477	0.7
69.03458	9.4
69.69363	0.6
70.74242	1.2
70.74569	1.0
71.01378	1.7
75.00869	1.2
81.38525	0.8
83.05029	4.0
89.02460	1.2
107.05041	0.8
107.08661	2.2
108.05810	2.5
109.06566	1.4
110.03767	0.6
119.05061	1.0
119.08660	12.7
119.41387	0.6
120.08994	1.1
121.06570	0.7
125.09714	2.4
127.11292	4.1
129.01903	0.7
135.08173	3.6
137.09723	47.8
138.10074	2.6
151.00446	0.6
155.10733	1.4
163.04060	0.8
171.10271	100.0
172.10588	4.7
177.04022	0.8
179.05765	0.6
181.12256	0.7
183.01289	0.7
185.11815	1.0
195.05104	2.6
199.09656	1.1
201.11320	30.0
202.11652	2.2
207.43390	0.7
211.13377	1.7
229.19553	0.7
238.52309	0.6
251.16599	1.3
268.16855	0.8
273.18582	5.9
274.18964	0.8
290.16687	1.6
291.19690	10.4
292.19965	1.2
305.18967	1.4
309.20691	28.7
310.21179	2.3
323.20099	1.0
335.21689	0.7
341.23358	40.5
342.23761	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38548	1.4
57.03432	3.0
57.62590	1.3
59.01386	11.2
60.48505	1.4
61.98834	2.4
69.64378	3.5
69.64785	7.3
71.01378	7.1
75.00869	3.6
78.22539	1.3
83.05006	2.1
85.02979	2.2
89.02453	6.2
97.02947	4.7
98.20586	2.7
101.02434	2.6
107.01389	2.6
111.08125	3.7
113.02472	2.1
119.05093	3.6
121.10268	2.3
123.08173	2.4
125.09697	6.2
129.01929	2.1
138.42778	1.4
151.00366	5.6
157.12297	4.2
163.04022	4.4
163.11394	1.7
165.12802	2.6
171.10272	2.2
175.00392	2.2
177.04051	2.1
179.05592	3.5
181.12404	1.4
185.11819	8.7
195.05180	8.9
197.11784	6.7
209.11819	31.9
210.12097	2.8
211.13393	5.7
221.11821	2.1
221.15468	3.4
227.12897	3.4
247.20663	1.7
265.14474	9.8
265.17261	1.5
291.19617	25.8
292.20084	1.6
309.17148	5.9
309.20663	53.9
310.17868	1.7
310.20972	7.1
329.16534	1.8
341.08859	4.2
341.18317	4.7
341.23318	100.0
341.27054	15.6
342.23578	11.5
342.27136	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81630	0.5
59.01360	1.1
61.27933	0.5
63.49115	0.5
69.03455	9.5
71.51130	0.6
78.78221	0.5
83.05021	1.7
84.02168	9.1
97.02956	2.6
97.06577	4.2
99.04498	2.3
108.99277	0.7
119.08636	2.9
125.09759	1.1
125.93178	0.6
127.11261	1.1
135.08148	1.5
137.09718	10.2
153.09108	1.0
171.10263	46.4
172.10600	2.1
193.12289	6.4
201.11360	0.7
211.13412	1.1
225.14926	7.1
243.15923	3.9
245.90973	0.7
277.04797	0.6
291.19727	0.8
305.21304	0.8
309.20682	0.6
341.23294	100.0
342.23605	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81493	0.3
57.03442	1.0
59.01365	0.9
62.81033	0.3
67.01895	0.4
69.03453	2.4
71.01368	0.6
71.28850	0.6
74.34068	0.3
81.03455	0.5
83.05022	1.4
84.02162	3.2
97.02943	1.1
97.06587	11.2
98.06865	0.3
98.80350	0.4
99.04527	0.7
111.08112	0.8
119.05019	0.4
119.08628	0.5
120.19775	0.3
125.09761	1.9
137.09708	1.4
149.13313	0.6
151.11276	0.7
156.55647	0.3
165.12762	0.9
167.14458	0.4
171.10252	10.4
175.11247	1.0
177.12875	0.5
185.11760	0.7
185.48212	0.3
193.12328	14.8
194.12640	1.3
197.15466	0.5
203.10670	0.3
211.13374	2.8
221.11867	1.2
225.14941	19.2
226.15291	1.3
233.77666	0.3
238.12149	0.3
243.15991	7.8
244.16457	0.7
253.14456	1.0
291.19675	1.1
305.21106	1.0
323.22220	0.8
331.29355	0.4
341.23297	100.0
342.23642	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	341.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91092	4.3
53.85005	4.7
57.03446	100.0
59.01366	39.2
61.98813	7.8
69.03452	48.8
69.54704	8.4
69.55126	25.7
71.01377	20.2
75.00859	15.6
79.05520	8.1
83.01362	5.4
83.05025	97.2
84.05340	6.0
85.02939	6.4
89.02435	16.4
93.03424	6.2
95.05000	7.9
97.06580	11.8
98.19904	8.6
101.02421	6.5
105.07051	7.0
107.05014	11.8
109.06578	36.7
117.97173	5.3
119.03514	4.5
119.05035	22.8
119.08646	6.5
123.08141	7.2
123.70697	5.6
129.01909	13.0
133.06546	17.4
135.08185	8.4
137.09781	5.7
141.58208	5.3
145.02954	6.1
145.10213	6.3
147.08142	8.6
151.00342	15.9
151.07529	7.7
153.17569	4.6
159.08180	10.8
161.09683	11.1
163.03975	18.1
171.10294	6.7
173.09772	8.1
175.11249	30.8
177.04080	9.5
179.05437	7.4
180.99699	4.5
183.01236	10.9
183.08083	5.3
187.11255	6.8
195.05077	39.9
197.12097	4.6
199.11250	29.9
209.13403	6.6
211.13326	8.6
217.12302	18.4
239.14464	23.4
245.15422	28.9
249.16313	9.3
251.16502	13.4
265.16202	6.9
267.17355	5.6
279.17538	13.8
283.17001	77.7
284.17303	6.9
285.18674	12.1
289.15869	12.3
290.16711	80.9
291.17020	11.1
297.18497	11.0
303.17572	5.9
305.19110	46.4
309.20538	9.0
323.20160	57.4
324.20648	8.7
341.08749	16.2
341.17725	19.8
341.21066	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22231	0.6
52.45933	0.7
59.01379	100.0
60.01716	1.1
61.98827	2.5
71.00098	0.5
71.00420	0.5
71.01373	4.0
75.00874	3.4
81.03484	0.7
83.05044	2.1
85.02953	1.6
87.00888	1.2
89.02444	1.5
92.12408	0.7
97.02959	0.8
99.00874	0.8
107.05070	1.4
113.02460	0.6
119.05016	3.4
121.81659	0.7
129.01952	2.8
135.04466	0.8
136.07651	0.8
139.07684	1.8
151.03973	1.1
163.04004	4.0
163.11301	0.8
163.85521	0.5
169.05150	0.7
171.10298	2.4
177.04112	1.3
179.03517	0.7
185.11836	0.7
192.06712	0.6
195.05118	8.2
201.11349	4.7
206.11734	0.7
224.12971	1.8
236.12973	2.7
240.84949	0.6
249.11279	0.8
251.14102	1.3
262.15302	1.0
272.63593	0.6
279.18045	8.4
341.08444	3.0
341.15515	0.9
341.19745	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.9
58.52735	0.8
59.01376	8.5
69.03457	1.4
69.78971	4.9
71.01010	1.6
71.01382	21.2
72.99319	2.0
74.63397	0.9
75.00871	33.4
85.02948	3.6
87.00884	7.3
89.02454	2.7
95.81915	1.0
99.00872	14.1
100.68932	1.0
101.02419	1.2
111.00914	1.3
117.03429	1.1
119.05034	23.5
120.05424	1.4
129.01944	22.8
131.03525	1.8
141.01897	1.0
145.02992	7.0
159.03050	4.9
161.06166	2.7
163.04010	36.9
164.04419	1.1
177.02531	1.8
177.04047	21.5
177.05574	1.7
178.04372	1.0
195.05106	100.0
196.05460	3.3
205.05078	2.1
265.07233	1.8
323.07758	2.9
341.08755	67.3
342.09073	7.1
360.40482	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40259	1.1
57.03449	1.8
58.68224	0.9
59.01380	13.7
61.98818	1.3
69.03461	3.0
71.01390	6.9
71.05018	2.5
71.51821	1.6
72.99309	1.9
75.00890	5.1
83.05023	2.1
85.02970	1.4
87.00887	2.0
89.02460	4.3
97.06584	3.5
99.00857	1.2
99.08158	3.1
101.02443	3.0
104.50116	1.0
109.06570	1.2
111.04513	2.2
119.05019	5.2
125.09749	1.2
129.01950	5.0
130.64476	1.1
134.94868	1.2
135.04501	1.0
151.00316	2.5
151.07634	1.2
155.10760	1.4
163.04004	7.4
171.10240	3.9
176.03760	1.0
177.04070	3.5
183.10251	9.1
185.11787	1.4
193.15964	3.5
193.71548	1.2
195.05106	15.5
197.11812	1.3
201.11232	1.3
209.11858	3.0
209.19093	3.6
211.13448	1.6
223.13647	1.3
235.16904	6.1
253.18073	100.0
254.18394	9.3
261.14935	2.5
279.16016	16.7
279.19104	2.1
281.17563	4.4
297.17056	96.5
298.17444	9.0
305.17618	2.4
323.15085	1.7
323.18710	3.3
341.09183	3.5
341.11301	1.9
341.15982	42.5
341.19714	21.7
342.16367	5.4
342.19888	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	341.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23835	0.8
57.03447	4.2
58.46537	0.8
59.01371	8.8
59.29449	0.7
71.01379	11.5
72.99311	3.7
73.24023	0.8
75.00870	37.5
84.12558	0.9
85.02957	11.3
87.00868	7.0
89.02448	3.5
97.02946	1.5
99.00882	11.5
101.02446	1.5
111.00927	1.6
119.05027	38.2
120.05371	2.5
129.01945	31.9
130.02209	1.1
137.11502	0.9
145.02940	2.1
159.02988	3.4
163.04007	58.0
164.04413	1.7
177.04041	15.1
177.05565	1.0
195.05092	100.0
196.05522	1.5
239.92526	0.9
341.08774	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	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76694	0.9
55.70245	0.8
57.03433	2.7
58.92728	0.9
59.01378	5.8
69.54893	5.8
71.01385	12.8
72.99312	1.8
75.00868	20.3
82.62408	1.0
85.02954	3.0
87.00879	6.2
89.02456	2.5
98.20670	1.7
99.00883	10.1
101.86668	0.8
108.98756	0.9
111.00909	1.0
117.03491	1.7
119.05019	19.7
120.05314	1.5
123.12041	1.0
129.01939	20.3
131.03496	1.7
135.04510	1.7
145.02956	4.5
159.02946	2.5
161.06091	1.2
163.04015	32.5
164.04346	1.9
177.04042	20.0
179.03423	1.6
195.05099	100.0
196.05402	3.5
205.04999	1.5
265.07220	1.5
323.07739	3.0
341.08759	72.4
342.09122	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	340.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75769	0.4
59.01381	10.2
61.98825	1.9
65.14039	0.4
65.52551	0.4
71.01363	1.7
71.52296	0.7
75.00854	1.2
85.02982	0.6
89.02439	0.9
95.03767	2.2
96.04558	1.7
103.00428	0.6
110.02509	0.5
112.04052	2.5
113.02414	0.4
119.05003	1.0
122.06111	3.0
124.07680	1.1
124.85749	0.4
129.01936	1.2
134.06102	0.5
135.06927	3.0
136.07631	1.4
137.06073	0.6
141.09253	0.4
145.02939	0.6
149.36212	0.4
155.10750	1.9
163.03963	1.3
171.10286	0.8
181.12350	0.6
182.13084	0.8
195.05095	3.1
197.11838	0.6
214.12227	0.8
216.17607	0.8
217.15950	0.9
218.15721	0.5
234.18523	2.0
235.17009	0.8
251.16553	0.6
260.16510	3.7
278.17596	100.0
279.18063	9.7
296.18774	2.6
322.16516	4.8
340.17648	11.4
340.21371	1.1
341.08374	1.1
341.11923	0.8
341.18265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15688	1.0
57.03433	2.2
59.01377	4.8
61.10222	0.8
61.98838	1.7
63.22319	1.1
69.97528	1.2
69.97879	5.0
71.01380	5.8
72.99326	2.1
75.00873	21.1
78.34618	1.0
85.02946	8.9
87.00874	3.9
87.67788	1.2
89.02431	2.9
99.00888	4.6
119.05025	63.7
120.05353	2.6
129.00475	1.1
129.01949	14.3
135.04503	1.0
159.02950	2.3
163.04005	100.0
164.04340	6.0
177.04063	8.1
179.13055	1.2
195.05095	72.4
196.05539	1.4
197.38518	1.1
204.71022	1.0
237.09377	1.0
239.04335	1.1
339.26962	1.0
340.32593	1.1
341.08209	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	339.2538
Annotation	CHEBI:78769
Peak:m/z	Relative Intensity
57.03446	10.9
59.01366	4.9
61.98820	2.0
69.91709	5.0
71.05017	9.5
78.38097	1.2
78.43917	1.1
83.05033	2.1
85.06578	2.2
95.05061	2.8
96.34452	1.2
97.06589	6.0
98.20605	1.2
103.00372	9.2
111.08156	5.2
113.07751	1.5
113.09702	3.5
117.59262	1.2
119.05082	2.2
120.72691	1.2
125.09684	1.5
139.07732	1.3
145.02881	1.2
155.10765	1.9
163.04108	1.3
165.12756	1.4
171.13885	2.1
178.09978	1.5
183.01164	4.6
183.13959	1.3
193.03447	1.5
195.17548	21.0
196.17801	2.6
207.17580	2.2
209.19055	3.5
225.18719	1.6
235.06100	2.3
235.13283	2.6
235.20486	1.4
237.12575	1.2
237.14949	23.9
237.22227	5.5
238.15410	1.6
249.66151	1.3
253.14606	1.4
279.23270	16.1
280.23645	2.8
291.65994	1.3
295.26401	55.6
296.26831	5.8
303.19498	1.7
321.20694	21.2
322.21069	1.5
339.16727	7.5
339.21649	4.4
339.25372	100.0
340.25717	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	339.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.4
69.03468	3.0
69.66526	4.3
69.66914	5.3
72.39532	2.0
83.05051	1.9
93.03508	2.2
97.02964	8.8
97.06529	2.1
97.34215	1.8
98.19908	3.8
101.59197	1.8
103.00343	9.7
111.08161	7.3
119.05022	6.9
137.09738	2.5
149.09770	3.3
163.04079	3.3
171.10226	4.0
183.10303	3.3
189.99048	1.9
209.11745	2.5
226.12018	7.9
241.14447	100.0
242.14818	7.9
264.95114	1.9
275.91898	1.8
289.18167	7.6
295.26486	1.8
297.24713	1.8
305.39157	1.9
306.18457	2.6
321.20673	67.5
322.21033	9.3
339.21677	2.8
339.25266	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	339.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08321	6.6
57.03462	7.8
59.01378	39.8
59.83275	7.0
61.98822	13.5
70.99322	14.7
70.99680	7.5
71.01399	12.4
71.93600	6.5
83.80605	6.9
86.59283	6.9
97.06582	14.5
103.00374	33.3
103.33788	6.7
145.03047	13.1
151.11282	20.4
163.04045	8.9
165.12819	34.2
181.12325	31.7
183.01175	17.9
186.81444	7.2
191.10782	17.8
193.03467	9.2
209.11813	100.0
210.12137	13.1
210.57127	7.8
245.19142	15.7
263.20248	8.2
289.18164	28.4
307.19214	28.3
327.91177	7.8
339.16248	22.7
339.20071	29.6
339.25293	9.6
352.42349	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	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
55.68956	0.3
69.30150	1.2
69.30575	1.2
79.30000	0.4
85.97672	0.3
106.79836	0.3
108.39883	0.3
128.26837	0.4
136.54158	0.4
147.08205	0.5
163.11287	100.0
164.11603	5.9
183.01152	0.5
231.30444	0.4
314.38617	0.3
327.80042	0.4
339.23273	48.9
340.23648	7.0
344.30438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1997
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
59.01381	0.4
60.46322	0.3
60.83138	0.3
71.14001	0.5
79.95753	1.1
98.19850	0.3
103.00380	0.3
119.05015	1.4
136.48184	0.2
163.11290	2.6
164.18205	0.3
170.00426	1.5
183.01199	50.1
184.01683	2.8
197.02795	1.6
197.08008	0.4
216.01006	0.6
225.05855	0.9
239.07486	1.5
253.09016	0.5
275.23862	0.5
286.52167	0.3
339.19955	100.0
340.16129	0.7
340.20267	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	339.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33306	5.2
54.00366	7.1
57.03451	6.9
59.01373	36.3
66.18900	5.9
69.03458	6.5
71.01379	15.4
93.03540	5.9
97.06570	16.5
98.19939	14.0
103.00371	24.9
119.05003	9.1
128.59770	6.4
129.97220	6.2
145.02960	10.8
151.11276	17.6
163.11226	6.2
165.12831	20.4
178.79890	6.7
181.12323	36.0
183.01251	10.0
190.44968	6.2
191.10770	19.9
191.14413	11.5
209.11810	100.0
219.32030	5.6
235.06123	7.3
245.19090	20.0
279.14313	6.9
289.18149	27.3
307.19070	24.3
339.16440	8.2
339.21719	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	339.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52194	0.8
58.52518	0.8
59.01381	17.8
71.01387	5.3
71.13828	1.1
72.71925	0.8
72.99333	0.9
75.37243	0.7
85.02941	1.2
87.00890	3.3
88.57969	0.9
89.02446	1.6
93.03455	1.0
103.00373	100.0
104.00721	1.4
109.22513	0.9
115.00356	5.5
117.03485	3.2
119.05024	21.7
119.05830	1.6
130.04301	1.4
133.06590	1.1
145.02972	14.0
145.06570	3.2
159.04546	1.7
161.06073	7.2
163.04010	15.3
164.04414	0.9
173.06088	5.8
175.02533	4.4
177.05574	2.9
178.79277	0.8
179.00444	0.9
187.04002	12.0
188.04234	1.1
191.07141	4.0
193.03516	32.2
205.05058	3.2
217.05083	3.7
235.06062	14.9
277.07150	3.5
321.05908	1.4
339.07199	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	339.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17324	0.7
59.01377	12.7
66.92245	0.7
71.01370	1.4
71.13865	1.3
75.00838	0.6
87.00880	1.0
89.02439	0.9
103.00370	100.0
115.00378	2.0
117.03457	2.4
119.05016	12.1
133.06580	1.1
145.02950	15.4
145.58809	0.7
161.06055	5.3
163.04012	9.2
175.02501	1.8
177.05609	1.5
187.04002	13.8
191.07112	3.1
193.03520	19.0
205.05055	2.6
217.05063	1.2
235.06104	29.8
236.06451	1.9
259.95251	0.7
326.62683	0.7
339.07263	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	339.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56964	0.9
59.01381	16.0
61.70451	0.9
69.99621	4.3
71.01373	3.7
83.04406	1.0
87.00858	1.9
89.02428	1.0
93.03479	1.1
99.54494	1.2
103.00372	100.0
104.00718	1.6
115.00347	4.4
117.03456	2.2
119.05018	19.1
121.02964	1.6
133.06531	2.0
145.02940	14.0
149.05931	1.0
159.04527	1.3
161.06084	8.1
163.03990	27.5
173.06061	2.1
173.18172	1.1
175.02475	9.7
177.05542	4.1
187.03990	17.2
191.07126	5.3
193.03520	17.4
205.05042	7.5
217.05049	1.1
235.06097	35.1
236.06339	1.6
249.04070	1.1
255.11304	0.9
318.90756	1.1
320.75513	1.1
339.07059	3.7
355.35156	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	1.5
59.01381	19.4
66.26872	1.2
71.01364	3.5
71.27898	1.3
75.00873	1.4
80.70907	1.1
85.02977	1.2
87.00860	4.3
89.02433	1.3
93.03461	3.6
103.00375	100.0
104.00729	2.3
115.00372	7.1
117.03452	2.3
119.04154	1.8
119.05019	31.9
120.05362	1.7
132.05804	1.2
133.06573	1.3
145.02960	19.0
145.06612	1.5
147.04482	1.2
149.06097	2.2
159.04442	1.4
161.06070	11.9
162.03131	1.1
163.04012	33.0
164.04388	2.4
168.86092	1.6
173.06070	1.3
175.02512	9.1
177.05563	5.8
187.03986	12.6
191.07101	3.8
193.03548	12.5
205.05049	7.6
211.14702	1.1
217.05038	2.6
235.06105	22.4
275.02341	1.2
277.06924	1.3
339.07159	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	338.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99733	0.5
57.03445	1.4
58.02966	2.9
59.01379	36.0
61.98806	0.6
65.32517	0.5
67.01879	1.4
71.05016	0.7
71.51856	0.9
73.02937	2.2
73.14518	0.6
82.02982	0.7
83.04996	0.8
94.02990	16.3
95.05033	0.6
103.00337	0.6
114.23109	0.5
125.35787	0.6
126.05622	2.0
128.37378	0.5
139.11292	27.0
140.11606	1.7
144.10373	1.0
146.08209	6.3
151.41138	0.6
157.39627	0.6
163.11249	1.1
165.09230	0.9
170.08232	1.2
181.12337	16.1
182.12755	1.0
183.10255	34.0
184.10574	2.1
199.13422	4.4
225.11319	13.8
226.11691	1.1
243.12360	100.0
244.12703	7.2
259.88986	0.6
280.06927	0.9
320.18790	0.8
331.47641	0.6
338.16061	1.3
338.19702	7.3
339.19958	1.3
340.66772	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2336
Annotation	Tumonoic acid A
Peak:m/z	Relative Intensity
51.46764	0.7
53.81362	0.7
59.00333	0.6
59.01366	2.5
61.98848	1.7
64.37589	0.6
70.78047	0.8
70.78386	1.4
71.42028	0.8
84.04545	1.3
94.03022	0.8
101.54202	0.9
103.00359	1.8
112.04047	29.4
113.04396	0.8
135.06908	26.4
136.07660	2.1
153.17415	0.7
178.80600	0.8
189.43259	0.7
210.55363	0.7
216.05739	0.7
217.73793	0.8
251.23715	0.9
276.23315	100.0
277.23672	10.6
294.24420	6.8
320.22556	0.9
338.23550	2.2
339.20148	1.4
351.93924	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.26661	0.3
59.01375	1.8
61.98833	0.5
67.01892	0.6
70.97660	0.2
71.01373	0.8
85.02946	6.0
87.00885	2.0
90.29208	0.3
93.03465	4.1
98.19881	0.7
109.02943	0.7
111.04508	0.9
113.69918	0.3
117.03468	0.3
119.05022	1.8
127.03994	1.7
128.03545	0.3
145.02950	0.8
163.03972	2.0
171.03003	0.5
173.04591	1.6
191.05608	100.0
192.05975	3.7
237.23846	0.3
283.30930	0.3
291.33749	0.3
337.09344	3.0
338.09406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2384
Annotation	Betaenone E
Peak:m/z	Relative Intensity
59.01379	100.0
60.01704	1.3
61.98838	1.8
85.18896	0.7
98.20683	1.6
132.48640	0.8
229.21078	0.9
265.21771	1.3
277.21698	7.9
278.21899	1.3
295.22748	40.1
296.23166	4.8
337.20172	1.0
337.23868	12.1
338.24115	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2228
Annotation	PGB1
Peak:m/z	Relative Intensity
53.07065	0.7
57.03444	4.4
59.01358	1.3
61.10917	0.8
61.98820	2.9
62.23510	0.8
69.03444	2.2
69.86123	1.3
69.86466	3.3
71.05013	1.4
73.02940	0.9
77.20669	0.6
83.05033	1.2
84.67127	0.9
91.72893	0.8
95.05011	1.1
97.06582	18.1
99.04520	41.6
109.23184	0.7
111.08189	1.1
113.06164	0.8
155.07111	2.6
167.10783	17.1
168.11247	0.9
203.18045	2.1
204.72237	0.8
247.17014	0.9
317.21234	2.2
335.22266	100.0
336.22601	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	337.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05916	0.4
55.71320	0.4
59.01378	0.9
59.44281	0.4
61.98827	100.0
70.65917	1.1
73.40983	0.5
76.96657	0.4
93.03470	0.7
102.56754	0.4
110.89917	0.5
112.89628	0.4
124.07719	0.5
134.06044	0.6
137.02429	0.8
162.93971	3.0
168.06657	0.5
179.62331	0.5
191.94595	0.5
202.73494	0.5
243.40916	0.4
277.12000	0.5
280.18491	0.4
337.07635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.89060	0.5
70.89392	0.7
90.26118	0.4
105.17079	0.4
105.61152	0.4
113.99629	0.4
122.11362	0.4
127.00408	0.4
187.33623	0.5
203.13339	0.4
316.01544	0.4
337.07950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90804	0.4
54.61903	0.3
57.03449	4.8
59.01366	0.6
59.98520	0.5
61.98810	0.4
63.05458	0.3
69.03460	4.8
69.27769	0.4
70.08617	1.3
71.05013	1.7
73.02943	1.3
83.05016	2.4
85.06579	0.9
88.20142	0.4
92.39362	0.4
95.05009	0.8
97.06586	11.5
98.06851	0.5
98.20589	0.4
99.04517	23.5
100.04826	0.5
102.38827	0.3
103.75744	0.4
107.05036	0.9
119.08652	5.7
125.09721	1.3
137.09720	11.2
138.10016	0.4
139.11230	0.4
149.02412	0.4
149.09698	0.4
153.09227	1.5
153.12781	0.5
163.07683	0.7
167.10774	11.4
168.11143	0.5
181.08696	3.2
181.12344	0.4
197.05827	0.4
203.18053	0.4
240.29828	0.4
247.17032	1.1
270.47263	0.4
317.21124	1.8
335.22260	100.0
336.22592	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	335.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	58.0
71.20474	11.8
79.64172	5.6
83.01389	5.9
97.44161	5.2
99.00655	16.5
146.64552	5.8
253.21729	100.0
262.82153	6.8
309.36041	6.6
335.22049	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2226
Annotation	PGB1
Peak:m/z	Relative Intensity
57.03444	8.6
61.98818	4.5
69.03460	7.0
71.05013	3.5
71.22002	1.0
73.02940	4.7
83.05023	4.3
83.07281	0.6
85.06604	1.0
87.04507	1.4
91.29095	0.6
93.89423	0.6
97.31703	0.6
99.04514	2.9
101.02419	0.6
107.05020	1.9
111.08150	0.7
119.08652	9.1
121.06609	1.0
125.09695	2.7
135.08139	1.3
137.09714	20.2
138.10078	0.7
153.09203	1.9
153.12878	1.1
163.07611	0.9
165.41006	0.6
181.08707	5.5
181.12341	0.7
195.30644	0.6
201.16362	0.6
203.17976	1.1
212.70262	0.6
228.79794	0.7
247.16919	1.3
317.21140	1.4
335.22250	100.0
336.22556	12.5
347.71970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2226
Annotation	PGB1
Peak:m/z	Relative Intensity
53.90804	0.4
54.61903	0.3
57.03449	4.8
59.01366	0.6
59.98520	0.5
61.98810	0.4
63.05458	0.3
69.03460	4.8
69.27769	0.4
70.08617	1.3
71.05013	1.7
73.02943	1.3
83.05016	2.4
85.06579	0.9
88.20142	0.4
92.39362	0.4
95.05009	0.8
97.06586	11.5
98.06851	0.5
98.20589	0.4
99.04517	23.5
100.04826	0.5
102.38827	0.3
103.75744	0.4
107.05036	0.9
119.08652	5.7
125.09721	1.3
137.09720	11.2
138.10016	0.4
139.11230	0.4
149.02412	0.4
149.09698	0.4
153.09227	1.5
153.12781	0.5
163.07683	0.7
167.10774	11.4
168.11143	0.5
181.08696	3.2
181.12344	0.4
197.05827	0.4
203.18053	0.4
240.29828	0.4
247.17032	1.1
270.47263	0.4
317.21124	1.8
335.22260	100.0
336.22592	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	335.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36263	2.5
59.01377	33.6
61.98829	46.9
71.01380	9.3
71.51479	2.6
73.04086	3.1
75.00871	3.9
78.02068	3.3
85.02981	5.5
85.03645	2.4
86.02467	3.3
89.02453	3.6
90.98590	39.0
94.02967	2.8
95.05011	2.6
97.06586	26.3
98.06947	2.7
101.02430	6.9
103.00373	100.0
105.76543	3.0
106.93879	2.8
113.02451	3.5
115.07639	16.2
116.07157	12.8
122.06197	3.6
129.01839	3.7
137.06013	4.6
138.05554	3.1
153.09172	13.3
155.07130	4.9
157.08632	4.2
159.06628	41.1
164.07172	3.6
165.57570	2.9
171.08124	3.0
178.01848	7.1
181.05057	6.9
183.06596	4.4
186.12392	2.9
187.07970	17.1
195.05013	4.1
205.09006	6.3
231.06874	5.6
249.07982	14.8
274.11075	5.7
300.10587	3.3
335.04315	8.5
335.09604	13.5
335.13354	26.5
336.11041	11.4
336.15411	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.9
61.98835	5.7
69.37923	1.0
69.38334	3.8
71.01407	0.9
71.43138	0.6
80.05062	5.6
92.05052	1.8
94.02988	0.9
94.06623	13.0
96.08159	0.8
104.05080	0.9
107.03785	1.8
108.04557	17.8
109.01725	0.7
110.06120	3.4
120.04558	9.4
122.02476	6.6
122.06143	4.9
124.04025	1.5
124.07661	5.3
136.04051	3.5
137.04776	0.6
138.05623	8.3
148.04079	5.3
150.05615	6.0
152.03534	0.8
152.07213	0.7
154.05057	1.5
156.83324	0.6
162.02495	0.6
166.05087	93.6
167.05403	4.4
180.03079	0.9
182.04576	2.5
194.04533	4.3
200.09569	0.6
204.96082	0.7
210.04060	100.0
211.04413	6.3
215.11856	3.9
226.11111	0.8
240.09123	0.6
250.56529	0.6
273.12512	0.9
279.88162	0.7
291.13434	0.7
317.11435	2.8
335.12500	22.8
335.17004	3.4
336.12772	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	334.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.2
61.98830	100.0
63.71499	0.7
65.41257	0.8
69.27967	2.9
69.28377	2.7
74.29736	0.8
102.03919	0.7
149.30312	0.7
162.63298	0.7
250.49391	0.7
262.28964	0.7
328.02731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21292	1.5
59.01365	5.2
61.98833	3.4
66.03503	1.4
66.16803	1.3
68.05051	13.9
69.26631	3.6
69.27046	6.7
71.01374	7.4
71.47665	1.4
84.04577	1.6
86.02495	9.5
87.94660	1.4
87.99510	1.3
88.04039	100.0
89.04351	1.7
95.03789	2.2
96.04543	13.8
98.28421	1.7
106.63948	1.4
108.40618	1.4
112.04027	3.3
115.00352	5.5
119.05030	3.2
121.05335	4.2
122.06116	12.4
132.03032	17.9
135.06912	18.7
136.07489	1.2
150.09232	20.4
151.09575	1.6
152.10812	9.0
153.11140	1.5
161.07201	2.0
163.03983	1.7
164.10802	95.3
165.11107	4.5
166.08755	3.7
173.10811	4.6
176.10774	6.3
176.14397	1.5
190.11073	3.6
191.11902	13.8
202.12347	8.4
219.15012	60.2
220.15327	3.3
263.13980	41.9
264.14282	4.2
307.13007	76.6
308.13303	4.7
334.14056	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	334.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99019	0.8
54.02604	0.8
58.32236	0.9
58.43881	0.8
59.01379	81.2
59.76982	0.9
60.01689	1.0
61.98830	3.3
62.00598	0.9
67.01885	3.8
71.01376	8.6
71.12000	1.7
71.12333	0.9
73.02945	3.0
83.01381	1.1
85.02968	4.5
88.04050	1.0
89.02464	1.6
94.02984	100.0
95.03336	3.1
99.00874	1.4
101.02467	5.4
107.08675	0.8
112.04056	3.7
113.02440	7.1
115.00372	0.9
124.04052	2.1
127.03998	2.2
143.03494	1.2
154.05099	2.9
161.04546	11.2
196.30930	0.9
233.95656	1.0
244.08348	1.2
256.08154	4.4
334.10794	2.1
335.10416	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	334.0416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98830	100.0
69.85573	1.5
69.85992	0.9
75.00874	1.6
99.07542	0.4
109.02946	4.1
113.24184	0.4
125.02442	0.5
127.04063	0.5
144.75417	0.4
152.61479	0.4
153.01967	0.6
161.27112	0.4
174.01707	0.8
180.59836	0.4
213.27142	0.4
271.04501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70283	0.4
52.80300	0.4
59.01382	0.7
60.52958	0.4
61.98830	100.0
69.77365	1.9
76.24635	0.4
77.54442	0.4
82.24123	0.4
103.00398	0.8
103.70686	0.5
109.02928	0.5
155.19672	0.4
166.04990	0.5
220.28886	0.5
273.32568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.2
61.98830	100.0
70.26293	1.3
71.01375	0.8
75.57703	0.3
79.95741	0.3
89.02458	0.4
94.03028	0.6
101.02446	0.4
103.00388	3.0
109.02959	1.7
113.02394	0.3
115.07652	0.4
116.29881	0.3
122.06194	0.3
124.04123	0.3
137.02490	0.8
137.06053	0.6
140.39505	0.4
142.99857	0.7
153.05568	0.9
159.06648	1.3
161.04489	0.4
181.05136	1.2
193.01424	1.0
226.95248	0.5
255.09085	0.5
271.04813	0.6
280.43384	0.3
335.04575	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96362	0.4
58.17149	0.5
59.01382	3.6
60.79953	0.5
61.98829	100.0
65.39791	0.4
66.95374	0.5
70.07896	0.5
71.01396	0.9
71.51955	0.7
72.99312	0.8
74.02467	0.9
75.00883	0.5
83.63593	0.5
83.93178	0.5
85.02967	0.9
89.80741	0.4
107.96582	0.5
121.02968	1.5
122.03309	0.9
122.06098	1.0
123.46783	0.5
124.04064	1.4
124.07704	0.6
129.02029	0.6
129.10315	0.5
135.04529	1.2
136.07680	4.7
140.56203	0.5
143.12080	0.6
145.04987	0.4
149.06071	0.6
152.07175	0.6
154.05110	3.3
157.08792	0.8
164.07277	0.9
165.01889	0.5
166.05080	1.4
170.12622	0.6
173.00908	0.5
173.08176	0.7
174.01721	1.7
186.12506	0.9
189.08028	0.6
193.05067	1.2
198.35107	0.6
204.72131	0.6
210.04102	1.6
229.09886	0.5
243.11295	2.5
273.12436	2.8
291.13672	0.8
317.11563	0.9
334.16986	0.8
334.20041	0.9
335.12479	4.7
351.96814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2072
Annotation	Phomactin A
Peak:m/z	Relative Intensity
50.45183	1.2
57.03448	24.0
59.01374	1.6
64.83985	0.9
69.03452	5.8
69.32988	2.7
69.33408	6.3
71.05012	5.9
73.02943	24.2
74.03284	1.0
79.05536	8.6
81.03450	3.5
83.05025	2.5
85.06604	1.5
88.89346	1.1
95.05035	1.6
97.06601	8.6
99.04520	26.5
107.08656	1.3
109.06561	1.9
121.06593	1.5
125.09711	2.5
135.08177	15.0
137.09731	2.2
151.11275	18.7
152.11696	1.1
179.10773	1.7
191.14436	5.5
195.13943	2.2
219.17395	7.5
259.17050	15.4
271.20724	3.3
272.42719	1.0
289.18469	1.6
289.21741	37.8
290.22040	5.7
333.20721	100.0
334.21042	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	333.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75094	1.1
55.01881	8.3
57.03454	5.6
58.00580	2.0
59.01380	43.8
61.98820	2.1
64.84977	1.3
69.26991	9.8
71.01382	63.4
72.99310	4.0
73.02950	23.6
75.00872	1.5
83.01392	17.5
85.02953	38.4
86.00090	2.6
87.00887	4.9
89.02428	7.8
92.05067	6.7
95.01392	5.4
97.02930	1.3
99.00878	10.1
101.02447	54.2
102.02745	1.4
103.00378	2.1
107.04949	1.6
107.52870	1.0
108.04572	1.5
111.00870	1.4
113.02454	22.2
119.03468	1.5
123.04522	1.7
134.03738	2.0
135.04518	2.9
136.04037	15.6
143.03458	1.9
150.03235	7.2
151.03984	3.5
159.02977	6.1
161.04549	19.9
178.05098	4.7
181.05017	1.7
185.23856	1.2
186.12433	1.8
260.35553	1.2
264.95667	1.5
285.11325	14.5
289.16626	12.6
295.30411	1.2
315.09897	4.5
333.15540	100.0
334.15814	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	333.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.8
61.98826	2.0
64.30640	0.8
66.04809	0.9
71.01383	9.8
71.51704	0.9
72.99290	0.9
73.02924	1.2
75.00872	3.4
83.01389	3.1
84.06472	0.8
85.02937	1.5
87.00853	0.9
89.02436	1.2
94.03019	1.1
99.00886	1.0
101.02435	1.9
103.00375	100.0
104.00696	2.1
109.06589	2.0
111.08087	1.2
116.08258	0.9
127.07656	6.6
129.01917	1.3
135.04539	1.3
137.06082	1.6
139.07634	1.4
143.10735	1.1
152.58168	1.0
153.77824	1.0
155.07173	2.2
157.08679	11.0
171.06642	4.8
171.10313	7.5
177.04037	1.4
181.08716	2.1
195.05095	1.6
199.09875	1.7
209.10641	0.9
211.09834	1.1
227.08159	2.5
228.08966	3.9
229.09612	1.2
241.01199	1.2
243.11130	0.9
249.09619	1.1
271.10901	9.7
283.22845	0.9
285.11429	1.1
289.12085	4.9
296.75671	1.0
333.06116	1.8
333.11920	14.9
333.15500	2.0
333.20166	1.1
345.09781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92318	2.5
59.01382	24.3
61.86670	2.1
61.98831	4.1
64.99448	1.9
65.47826	2.0
70.84750	5.5
71.01385	8.1
78.95911	2.5
81.40182	2.3
89.02475	2.8
96.47301	2.3
102.98611	5.1
103.00375	100.0
103.01081	4.7
120.99699	3.3
121.03027	2.0
122.06087	2.8
135.04482	3.5
137.06042	2.6
150.05569	3.1
157.08690	8.8
163.16167	2.2
171.10248	6.5
181.08701	3.7
185.09702	2.8
195.95535	2.5
200.10835	4.1
212.05815	6.4
213.06599	6.5
216.10284	2.3
227.08223	20.4
228.08833	27.1
228.12314	2.4
229.09671	7.1
236.62292	2.5
241.17766	2.6
243.11290	5.0
256.08682	2.7
259.10760	3.3
271.10858	78.2
272.11111	8.6
289.11935	37.6
315.09741	4.5
333.06204	3.4
333.11545	11.8
333.15646	6.4
333.19162	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	332.041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95896	0.6
59.01357	0.7
61.98829	100.0
69.25127	5.2
83.24107	0.6
93.00986	0.6
119.35834	0.6
268.32663	0.6
269.04602	4.6
333.20694	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39463	1.0
59.01373	9.7
61.98829	100.0
71.52355	1.3
81.85152	1.0
95.29327	1.0
99.38475	1.1
103.35699	1.0
117.22103	1.0
133.02977	2.4
156.80406	1.0
165.12862	1.7
207.13892	2.3
209.11787	1.7
248.78450	1.1
259.46432	1.0
269.13916	23.8
270.14166	3.4
281.07278	1.1
283.07574	1.1
332.18854	1.7
333.20541	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	333.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33813	0.9
58.95646	0.9
59.01374	1.1
60.99269	1.0
61.98828	1.2
66.75777	0.8
67.02866	0.9
69.57356	5.1
82.24142	1.1
86.24174	0.8
88.04053	2.8
88.98800	8.8
92.05057	2.5
94.06635	4.6
98.19905	1.9
102.88139	0.9
103.49541	0.8
104.05073	4.1
105.03453	2.8
106.06631	13.6
108.04594	1.9
119.05077	1.1
120.04562	5.5
121.05335	1.6
122.06120	14.6
123.03286	1.9
132.04572	7.5
138.05611	23.5
140.07175	1.0
150.05580	3.5
164.10764	2.0
189.07950	1.4
191.11974	0.9
209.11975	1.3
217.07475	1.8
219.15050	2.3
241.09784	3.4
241.43190	1.1
255.46904	1.0
289.11935	100.0
290.12323	8.1
322.29755	0.9
333.10965	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	331.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16274	0.6
57.03445	0.7
59.01380	100.0
60.01697	1.0
61.98832	1.5
69.16769	5.7
71.01388	8.0
73.02944	3.1
78.50169	0.6
78.91681	0.6
83.01386	1.4
85.02948	3.1
95.01433	0.6
99.00842	0.7
101.02435	2.9
113.02482	2.4
127.11330	0.7
133.02907	0.6
133.20480	0.7
144.58548	0.7
161.04602	1.5
289.16574	1.4
331.19281	0.9
332.18692	0.8
345.94537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16274	0.6
57.03445	0.7
59.01380	100.0
60.01697	1.0
61.98832	1.5
69.16769	5.7
71.01388	8.0
73.02944	3.1
78.50169	0.6
78.91681	0.6
83.01386	1.4
85.02948	3.1
95.01433	0.6
99.00842	0.7
101.02435	2.9
113.02482	2.4
127.11330	0.7
133.02907	0.6
133.20480	0.7
144.58548	0.7
161.04602	1.5
289.16574	1.4
331.19281	0.9
332.18692	0.8
345.94537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1913
Annotation	15-epi-(4E)-jatrogrossidentadione
Peak:m/z	Relative Intensity
52.60116	1.8
53.63682	1.9
57.48676	1.6
59.01382	12.0
61.98824	2.0
69.03451	4.0
71.52193	2.5
79.95683	2.1
83.04978	2.1
85.02956	2.8
97.02951	46.5
97.06564	2.2
109.02959	4.5
109.23074	1.9
110.67928	1.9
122.03728	3.3
127.07662	24.3
142.13620	1.8
151.10817	2.0
161.09685	2.9
179.52335	2.0
189.12833	17.8
189.71135	1.9
191.07187	5.8
203.14395	2.9
205.08646	12.3
207.10243	7.2
221.15475	4.3
233.11560	8.1
269.19040	9.7
283.17062	7.7
287.20285	2.8
313.18103	100.0
314.18195	9.5
331.19128	88.6
332.19489	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	331.0671
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.20763	0.7
57.03439	5.1
63.73812	0.7
65.00333	3.9
70.07539	2.2
71.01372	0.9
81.03454	2.5
83.01392	14.4
97.02937	1.5
107.01389	9.8
121.02937	1.0
121.71481	0.6
124.01678	2.0
125.02451	53.1
126.02807	1.5
131.01331	0.9
132.96983	0.7
137.02393	0.9
146.57132	0.7
149.02463	1.8
151.00369	61.8
152.00667	2.0
167.03532	1.4
168.00584	2.2
169.01427	27.4
170.01717	1.5
175.00346	8.5
193.01440	5.9
200.63481	0.8
205.01408	1.4
211.02403	1.9
299.40378	0.7
301.15244	1.2
308.34946	0.8
331.06699	100.0
332.06998	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	331.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.1
57.97547	0.8
59.01382	2.3
61.98828	31.5
65.00326	4.5
69.03436	0.9
69.37987	4.4
71.01384	2.2
72.99311	1.2
73.02940	1.6
79.95734	1.5
81.03454	3.5
83.01394	14.8
85.02938	0.8
87.00872	3.9
88.01243	0.7
89.02440	1.3
95.01375	0.8
96.96038	0.9
97.02926	1.7
99.00919	0.7
101.02470	1.1
107.01399	10.6
108.90199	12.2
115.00346	1.0
117.01939	1.2
120.99640	2.1
124.01645	2.3
125.02448	84.0
126.02786	2.3
128.03520	0.9
129.87654	0.7
131.01395	1.0
133.05075	4.1
134.04814	0.7
135.92133	1.4
139.03952	0.8
141.67453	0.6
149.02403	1.2
151.00369	62.0
151.40608	0.6
152.00696	3.0
154.97505	0.7
156.99940	0.6
166.74066	0.7
167.03488	2.0
167.70474	0.7
168.00606	3.9
169.01422	81.3
170.01793	3.5
172.83704	0.6
175.00363	8.6
176.00543	1.1
179.05508	1.4
182.97125	0.9
188.97169	0.9
193.01379	6.3
198.90720	0.9
205.01334	0.8
211.02440	1.8
213.00000	1.0
223.02403	1.1
223.06390	1.3
228.97559	1.6
229.97914	1.7
230.97752	1.2
231.01117	1.9
233.95752	1.0
287.06201	1.9
331.06689	100.0
332.07019	6.0
332.14954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0672
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03440	0.3
59.01373	0.5
61.98821	0.5
62.64880	0.3
69.03451	1.3
69.99064	0.7
69.99456	0.6
71.23361	0.3
74.02485	0.7
77.71487	0.3
79.01918	0.6
79.95751	0.8
81.03459	0.6
83.01411	0.4
85.02980	0.3
88.04041	0.3
95.01399	0.4
96.00941	0.3
96.96027	0.6
97.02950	1.2
103.05128	0.3
107.01367	0.5
123.00900	0.6
124.01672	1.0
125.02451	57.1
126.02774	1.7
128.03513	0.3
129.97536	0.3
130.08748	0.8
143.04640	0.3
143.11902	0.4
149.99614	0.6
151.00397	1.9
168.00647	2.7
169.01425	100.0
170.01764	4.0
193.01497	0.3
200.06805	0.4
200.14064	0.3
205.70813	0.3
223.06560	0.5
287.06296	0.7
310.65009	0.3
331.06708	11.4
331.16675	0.8
332.06964	0.8
332.18185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2035
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
50.57023	0.6
59.01387	3.2
61.98827	1.6
69.10345	0.5
70.25022	0.5
71.01384	1.5
71.02508	1.0
71.51787	1.1
73.04066	12.5
74.02460	1.4
81.12617	0.6
82.02969	0.8
82.06606	2.9
83.01367	0.6
83.02508	2.5
89.02445	0.9
101.02415	0.9
103.05135	0.8
107.33184	0.6
113.02401	0.6
115.00334	0.9
123.04513	0.6
123.96897	0.5
125.10815	1.0
129.10373	1.1
130.08734	95.6
131.09091	3.7
135.04514	6.6
139.08771	3.6
140.07195	8.3
140.30432	0.6
141.10374	4.0
143.11896	1.4
150.03232	0.7
151.04083	0.8
164.03572	0.8
169.09825	8.4
173.21065	0.6
179.03506	2.7
181.05077	0.6
181.09802	2.6
182.08237	1.3
182.15494	4.9
186.12537	0.8
199.10873	10.6
199.18149	41.6
200.18437	2.5
225.15872	0.6
240.12379	0.6
243.17137	3.4
256.20309	18.1
257.20563	1.5
263.65219	0.6
283.09677	1.0
287.10339	2.7
300.19281	13.7
301.19427	1.4
312.19351	1.7
330.20313	100.0
331.14206	0.7
331.20691	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03441	1.0
70.52275	1.2
70.52621	0.9
83.05019	0.7
90.23186	0.6
99.08156	6.7
105.21680	0.6
122.80579	0.6
125.09696	1.4
127.11295	3.5
135.95000	0.6
137.09727	0.7
139.11281	7.7
140.11598	0.8
155.10777	1.0
157.12392	1.3
167.14394	1.0
171.10265	19.0
179.51903	0.6
183.13904	4.4
193.12399	1.0
209.11813	1.7
211.13390	24.8
212.13791	2.0
212.16008	0.6
229.14406	12.9
293.21350	1.1
329.23315	100.0
330.23669	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	330.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57023	0.6
59.01387	3.2
61.98827	1.6
69.10345	0.5
70.25022	0.5
71.01384	1.5
71.02508	1.0
71.51787	1.1
73.04066	12.5
74.02460	1.4
81.12617	0.6
82.02969	0.8
82.06606	2.9
83.01367	0.6
83.02508	2.5
89.02445	0.9
101.02415	0.9
103.05135	0.8
107.33184	0.6
113.02401	0.6
115.00334	0.9
123.04513	0.6
123.96897	0.5
125.10815	1.0
129.10373	1.1
130.08734	95.6
131.09091	3.7
135.04514	6.6
139.08771	3.6
140.07195	8.3
140.30432	0.6
141.10374	4.0
143.11896	1.4
150.03232	0.7
151.04083	0.8
164.03572	0.8
169.09825	8.4
173.21065	0.6
179.03506	2.7
181.05077	0.6
181.09802	2.6
182.08237	1.3
182.15494	4.9
186.12537	0.8
199.10873	10.6
199.18149	41.6
200.18437	2.5
225.15872	0.6
240.12379	0.6
243.17137	3.4
256.20309	18.1
257.20563	1.5
263.65219	0.6
283.09677	1.0
287.10339	2.7
300.19281	13.7
301.19427	1.4
312.19351	1.7
330.20313	100.0
331.14206	0.7
331.20691	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88733	0.6
59.01381	5.4
61.98829	1.1
69.77504	3.2
99.08149	1.2
112.01656	0.6
117.05937	0.8
117.39857	0.6
121.10210	0.9
123.95019	0.7
125.09712	3.6
127.11282	7.9
137.09721	0.8
139.11292	7.3
148.10410	0.6
155.10770	2.3
157.12227	0.8
165.09184	1.1
165.77171	0.6
171.10263	24.2
172.10544	1.6
183.30719	0.6
185.11844	1.1
199.13383	2.8
201.11311	20.1
202.11656	1.2
211.13350	2.4
275.20197	2.2
293.21210	2.6
311.22327	1.4
329.23303	100.0
330.23596	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	329.2332
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
57.03446	0.4
58.00576	1.4
59.00930	0.3
59.01382	4.6
71.40891	0.6
72.99303	0.4
83.01408	0.4
83.05015	0.4
97.06581	0.8
99.07558	0.7
99.08161	8.5
100.08546	0.4
116.92876	0.4
127.07638	1.5
129.09218	7.0
130.09540	0.4
131.58574	0.3
134.41655	0.4
151.11235	0.4
155.10733	0.6
155.14377	0.4
165.12761	0.5
167.10771	0.3
167.14468	0.5
169.12335	4.4
171.10307	0.5
181.12343	5.2
183.13910	2.0
193.12337	1.5
197.11844	2.8
199.13399	19.5
200.13710	1.0
210.12251	0.6
211.13426	13.4
212.13736	0.8
227.12915	1.2
229.14453	1.6
275.20236	0.8
293.21222	3.8
294.21545	0.5
311.22284	2.2
329.23315	100.0
330.23654	11.2
330.27634	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
69.31711	3.9
76.37160	0.5
99.04526	0.7
106.24168	0.5
120.99611	1.2
124.03524	0.7
136.66510	0.5
165.12840	0.8
197.10043	1.9
207.13902	1.2
209.11794	2.3
225.14948	75.5
226.15309	5.3
241.09030	3.3
269.13931	16.0
269.16861	0.8
270.14267	1.2
276.29248	0.5
284.24371	0.5
285.17325	0.5
287.14996	1.2
329.16049	7.1
330.16299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
53.69983	0.4
58.00603	0.5
59.01375	1.2
69.17004	0.5
71.14462	0.8
84.02158	0.5
94.15462	0.5
121.10191	0.9
125.09708	4.6
127.11292	8.3
133.28204	0.5
137.09694	0.7
139.11293	7.9
143.10741	0.7
149.52962	0.5
155.10811	3.7
157.12347	0.8
165.09204	1.6
171.10268	44.0
172.10622	2.2
183.10287	1.0
185.11804	1.0
199.09726	1.5
201.11313	28.7
202.11647	1.9
213.11176	0.7
275.20126	2.8
293.21152	2.6
311.22183	2.5
329.23303	100.0
330.23630	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	329.1395
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
50.88953	0.3
59.01374	2.0
62.93500	0.3
65.15030	0.3
67.71511	0.3
69.51695	1.6
69.52112	0.8
71.01385	0.4
91.05518	0.6
93.03459	1.2
96.96017	0.6
103.05564	0.4
108.02177	1.0
109.02953	0.4
111.00853	0.5
115.05560	0.9
119.05022	1.3
121.02956	11.6
122.03770	4.1
123.00896	1.9
123.04533	1.1
124.01662	1.6
128.39223	0.3
130.04269	0.4
131.05066	2.0
131.05905	0.4
134.03731	0.6
135.04552	1.0
136.01657	0.5
136.05315	1.7
137.02438	2.0
137.06042	1.2
138.03279	0.5
143.05003	2.9
145.02966	1.3
145.06616	0.6
146.03735	0.9
147.00920	0.6
147.04527	8.8
148.05270	0.6
149.02446	3.3
149.06067	0.7
150.03229	13.9
151.03877	1.3
153.05588	0.9
154.02725	0.5
158.03728	10.7
159.04514	32.4
160.05295	83.0
161.06075	31.2
162.03244	0.8
162.06390	1.7
163.04005	12.2
164.04790	11.1
165.05577	1.7
168.04230	0.8
173.06070	10.4
173.07564	0.6
174.06621	0.8
175.07637	57.6
176.04808	2.1
176.07970	3.6
177.04376	0.2
177.05554	14.6
178.06345	17.3
179.06636	0.8
187.16612	0.3
191.07184	0.6
192.07872	2.0
193.05139	0.4
193.08694	7.2
225.14961	0.4
289.67300	0.4
299.12912	0.8
308.93527	0.4
314.11578	1.5
320.11487	0.3
329.13916	100.0
330.14291	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	329.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39240	4.3
59.01378	23.1
61.22371	3.5
62.89127	4.5
71.06133	7.8
107.55916	3.7
117.42575	3.8
119.05019	10.0
132.06667	4.1
134.03825	4.5
135.04509	17.5
163.03975	11.2
197.15417	16.7
225.14966	15.7
234.43591	4.5
243.15996	100.0
281.08133	7.6
285.16949	19.1
329.10526	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	329.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00462	2.6
59.01375	44.2
69.51720	2.5
70.75919	2.7
71.52070	2.4
75.90136	2.4
78.91557	2.5
83.04968	3.0
97.06528	3.3
111.00860	4.8
137.02420	2.7
155.10770	10.8
167.14355	2.8
193.37175	2.5
197.15395	13.7
225.14919	17.6
243.15999	100.0
244.16330	8.2
285.17062	19.1
329.12561	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	329.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01722	1.4
70.34075	0.4
70.70844	1.0
70.71252	0.4
71.01382	4.2
73.02959	1.3
85.02972	2.0
101.02451	3.0
113.02496	1.5
132.50153	0.5
161.04547	4.2
211.64703	0.5
269.10287	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	329.1241
Annotation	Tomentoside
Peak:m/z	Relative Intensity
54.09068	0.4
57.03445	0.6
59.01380	3.7
61.98820	1.6
63.66246	0.5
68.01409	1.8
69.03434	0.4
70.09473	0.8
70.26857	0.4
71.01387	4.7
73.02946	1.8
74.02476	2.5
79.05548	0.5
82.02975	0.5
83.01381	0.9
85.02924	2.6
87.00878	6.7
87.05637	1.2
88.04050	5.2
89.02436	1.3
93.03468	0.9
94.03107	0.4
95.01395	0.6
99.00876	0.7
101.02439	3.4
106.04290	2.2
107.05042	1.5
108.02155	2.1
113.02443	1.4
115.08756	0.6
119.03539	0.4
119.05032	0.7
121.02985	0.8
122.03721	0.6
123.04529	7.9
125.02452	2.2
127.05096	0.6
128.03561	0.6
129.10341	0.6
130.08711	2.4
133.03032	0.9
133.93010	0.4
134.03745	5.0
137.00726	0.5
137.06081	0.6
145.02968	0.5
148.05290	12.5
149.06075	100.0
150.06450	5.1
152.01125	1.1
155.18724	0.4
156.15222	0.4
156.60678	0.4
157.13409	1.1
161.04581	2.1
163.04039	1.1
166.02693	0.4
167.03496	3.9
167.07091	0.9
171.15381	0.4
176.40103	0.4
180.10251	0.7
185.12920	1.7
211.14514	0.5
242.18811	0.8
286.17712	2.4
311.11481	1.2
312.15829	1.0
329.08832	4.2
329.18149	4.0
330.12073	0.6
330.16736	1.7
330.20242	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1029
Annotation	(2R,3R)-2-(Benzo[d][1,3]dioxol-5-yl)-5,7-dimethoxychroman-3-ol
Peak:m/z	Relative Intensity
58.99591	0.9
59.01385	17.2
61.98829	5.4
71.01388	0.7
71.51848	0.9
81.06601	0.7
85.02979	0.9
85.06579	0.8
93.03453	0.9
95.05053	0.8
96.56093	0.6
102.98578	1.1
104.05087	0.7
109.02930	3.9
109.06655	1.1
109.82825	0.8
113.97806	0.7
119.05029	35.2
120.05408	1.4
120.95044	0.8
120.99660	7.6
121.02943	1.5
122.03779	1.8
122.06097	1.7
123.04540	9.5
125.04293	5.5
127.02299	1.1
130.88867	0.8
132.04529	1.7
134.03751	1.8
135.04523	2.8
137.02493	0.9
137.06110	4.9
139.11298	1.1
147.04518	1.5
148.07654	1.5
149.06102	3.2
150.03226	54.2
151.03629	2.2
152.07185	2.4
155.10757	1.0
160.05217	1.0
161.06090	0.9
163.04022	20.7
164.04411	1.3
164.07188	3.8
165.05569	100.0
166.05933	5.0
175.07524	0.8
179.01988	0.7
179.03459	3.4
179.82272	0.7
197.10031	7.0
199.07759	0.8
207.05464	0.8
225.11273	4.0
229.05067	3.5
240.04187	0.8
241.09030	15.1
242.09311	1.1
243.12379	1.3
255.06552	1.1
271.06229	1.3
272.06918	20.6
273.07321	1.3
301.10883	0.9
314.04129	1.1
329.10294	28.5
329.14447	2.3
329.22842	0.9
330.10626	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	329.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66924	0.8
56.48589	1.0
57.78846	0.8
59.01378	15.3
61.98830	100.0
62.02686	0.9
71.01401	1.4
71.50126	1.9
72.04539	1.0
76.87323	0.8
82.02984	11.5
83.14844	0.9
85.02952	2.1
91.29536	0.9
100.04056	8.1
101.02440	1.7
119.05042	6.2
123.04485	1.2
128.03557	3.8
129.01936	1.6
167.07076	3.0
187.92368	1.2
220.09778	9.8
248.09222	3.1
266.10327	37.1
267.10529	3.0
293.06656	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01163	0.8
59.01383	8.2
61.98836	1.8
71.00323	2.0
71.01370	1.0
91.05541	6.4
93.03465	2.5
115.05561	1.0
119.05028	32.8
119.78146	0.9
120.05337	1.8
121.02951	11.3
122.03736	6.0
123.00839	1.6
123.04547	7.7
124.01681	1.3
131.05042	2.5
134.03731	15.6
135.04529	39.6
136.05179	2.0
137.02419	2.1
137.06081	5.5
141.31810	0.9
143.05022	1.5
145.02971	1.1
145.06540	0.9
146.03729	1.4
147.04526	7.5
149.02431	3.7
149.06075	23.4
150.03223	53.6
151.03641	1.9
153.05617	1.1
158.03722	8.8
159.04512	35.1
160.05298	74.6
161.02454	1.1
161.06068	31.6
162.03172	1.1
162.06422	2.1
163.04001	46.1
164.04800	11.8
165.05565	73.5
166.05905	3.9
173.06094	8.5
175.07634	52.9
176.04826	1.7
176.07986	3.0
177.05580	15.8
178.06337	11.9
179.03532	1.2
192.08005	1.0
193.08662	6.6
217.65335	0.9
225.15044	1.1
254.15218	0.9
285.11398	1.4
294.14618	1.0
314.04141	0.9
314.11630	2.3
329.13928	100.0
330.14197	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	329.0878
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
57.03440	1.1
59.01374	3.8
61.98830	31.0
69.03436	0.7
70.78731	2.2
71.01369	0.9
81.03450	7.1
82.02981	3.3
83.01382	4.6
92.83414	0.8
95.05029	11.4
96.95974	0.9
97.02963	2.6
99.04520	4.3
100.04030	2.2
102.98647	1.0
107.05029	0.7
113.02431	1.2
119.05025	2.7
121.02966	2.1
122.03741	2.4
123.01006	0.7
123.04539	15.1
125.02454	15.9
128.03496	0.8
130.08769	0.9
131.07062	0.9
135.04547	0.9
137.02400	1.8
137.06090	13.3
139.03967	1.8
145.02930	1.7
149.02409	0.9
149.06149	1.2
165.05531	4.2
167.03490	41.3
167.07126	1.8
168.03813	2.3
177.05547	0.9
179.03470	6.1
181.05057	2.7
190.11792	0.9
193.04984	1.4
197.04561	1.9
200.14017	1.4
206.02243	0.9
209.04544	100.0
210.04875	5.9
220.09738	2.0
221.04480	2.5
239.05598	21.5
240.05952	1.1
248.09224	1.0
266.10327	11.2
282.72232	0.8
293.06729	2.2
311.07904	1.2
329.08792	9.0
329.12558	1.8
330.20322	1.3
342.72684	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2903
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
55.80703	0.7
56.45109	0.6
59.01381	100.0
60.01720	1.3
60.99348	0.8
61.98826	2.4
68.35107	0.7
70.99710	1.7
104.28388	0.8
122.22225	0.7
132.78802	0.8
134.01547	0.7
149.41217	0.6
178.26239	0.8
185.00725	1.2
317.04425	0.8
327.18506	5.2
327.29028	89.7
328.29434	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	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01368	2.0
68.01404	1.2
70.18564	1.6
70.18979	0.8
71.01370	1.7
85.02921	0.6
87.00873	0.9
88.04041	1.7
95.01421	0.5
96.43507	0.5
101.02438	1.2
107.01399	0.6
108.02174	54.8
109.01752	0.5
109.02509	1.2
113.02424	0.9
123.00900	0.5
123.04523	23.4
124.04839	0.6
125.02419	0.7
148.05321	1.5
149.06082	10.2
150.06432	0.7
152.01147	39.4
153.01505	1.6
157.13414	0.5
160.17502	0.4
167.03493	100.0
168.03825	4.7
168.06645	0.6
180.10292	0.5
206.43510	0.4
220.75169	0.4
247.94937	0.4
312.15466	0.6
329.08649	2.2
329.18411	1.1
330.12549	0.6
330.16473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03426	1.7
61.49805	0.6
69.03436	1.2
70.27356	2.3
71.01400	0.6
74.76565	0.6
80.02679	0.6
80.46233	0.7
83.89083	0.6
84.02166	0.7
85.02950	8.9
95.05038	0.6
97.02936	0.8
97.06599	4.1
99.45033	0.7
125.09707	0.9
127.11292	1.9
137.09714	2.3
155.10733	0.8
165.12845	0.9
167.14378	0.8
168.30435	0.7
171.10266	20.5
183.13867	4.2
185.11830	1.3
193.12297	1.4
197.11835	0.6
201.11270	1.1
203.10880	0.7
206.84535	0.7
209.11804	2.1
211.11491	1.3
211.13371	19.7
212.13716	1.6
221.11861	3.2
229.14407	11.4
239.12958	1.3
291.19669	2.6
309.20581	1.2
320.04276	0.6
327.21744	100.0
328.22076	8.7
344.77591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2903
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01381	0.7
61.98818	1.6
70.36300	1.1
70.73632	0.4
83.05021	1.5
91.31857	0.4
110.66954	0.4
150.84987	0.4
155.14430	2.3
168.45747	0.5
184.01584	0.5
185.00656	2.1
198.67918	0.5
218.22961	0.4
239.18138	0.4
281.28537	1.6
309.27951	2.4
325.27475	1.4
327.18524	6.1
327.29025	100.0
328.18381	0.6
328.29324	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.16182	0.4
57.03458	0.6
59.01379	83.3
60.01716	0.5
61.98812	0.7
70.27115	0.7
70.27510	1.1
71.01382	0.7
71.05018	0.7
73.02937	3.4
74.85899	0.4
75.71485	0.4
83.05014	0.6
84.98717	0.4
89.01215	0.5
95.05045	1.4
97.06654	0.5
109.02949	0.5
111.08151	1.3
119.05012	1.2
119.08626	0.5
121.02962	0.7
125.09714	0.6
128.76123	0.5
137.09729	1.8
161.02550	0.7
163.03992	3.2
164.07169	0.7
171.10274	5.1
204.25465	0.5
205.24673	0.5
211.13278	0.6
237.18631	1.1
253.18124	2.7
265.18149	1.9
273.18710	1.0
283.19092	3.1
291.19440	0.8
309.20795	3.9
327.21753	100.0
328.22098	9.9
328.25964	0.6
329.29065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03462	1.9
59.01379	15.4
61.98819	5.2
71.01373	1.6
71.05008	1.4
71.42566	2.1
73.02940	2.6
83.04997	1.7
93.00011	1.4
97.06583	1.3
99.08125	2.2
113.09729	6.2
125.09710	6.1
127.07599	2.1
127.11250	3.8
129.09219	9.4
137.09686	2.0
141.09215	4.0
144.97214	1.2
155.10779	10.6
165.12808	1.7
171.10295	16.0
183.01173	2.7
185.11830	15.9
186.12158	1.7
197.11841	16.2
201.11311	20.2
209.11789	4.2
211.13168	1.4
213.11293	11.7
227.12978	1.9
239.72842	1.3
291.19650	9.0
309.06918	1.4
309.20709	17.2
327.16135	5.5
327.21765	100.0
328.22141	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	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
59.01369	11.0
60.00315	3.2
61.98819	9.8
70.07874	5.3
70.08231	11.1
71.01382	3.0
73.02943	3.9
75.57240	3.3
83.40826	2.7
85.02947	4.3
90.98129	2.8
97.06571	5.4
101.06057	10.2
107.62245	2.8
115.07632	3.6
121.02921	7.8
125.09691	7.8
153.12856	3.6
155.10756	4.0
155.14430	3.7
171.10269	47.2
172.10562	3.3
183.13913	4.8
185.11792	5.4
194.57681	3.2
197.11812	16.5
199.13408	6.3
209.11761	4.2
211.13324	6.5
212.96800	2.6
227.12898	6.5
229.14417	100.0
230.14748	6.4
265.21628	6.9
269.17499	4.2
283.22696	3.6
291.19763	4.7
309.20667	13.5
327.16348	5.6
327.21783	74.7
328.22000	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	327.2175
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
59.01387	2.0
69.03452	5.5
69.60277	3.7
69.60685	1.8
79.42851	0.9
98.20549	1.4
108.05833	2.0
115.22462	1.1
119.08659	10.0
123.08149	1.4
125.09708	4.1
127.11277	3.3
135.08173	2.4
137.09723	30.4
144.28929	0.8
165.09195	0.9
171.10271	100.0
172.10597	4.6
185.11826	1.7
186.06035	0.9
201.11307	22.7
213.11293	3.3
252.58949	0.9
273.18637	1.5
291.19739	2.7
305.63361	0.9
309.20737	8.4
327.21756	59.7
328.22113	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	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03439	1.7
58.00602	0.9
59.01364	3.8
61.98832	2.1
67.10657	0.9
69.03449	1.6
69.18076	7.6
69.18480	1.9
70.79102	0.9
71.01373	1.6
71.05018	3.3
80.02672	3.2
81.03471	1.0
83.05023	2.0
84.01655	2.0
84.02164	23.6
85.02955	1.0
99.08163	2.4
106.04262	2.3
113.09727	2.6
121.02953	1.2
125.09707	4.9
127.07719	1.3
127.11258	7.4
129.09190	5.1
135.08138	1.3
136.75742	0.9
137.06081	1.4
137.09729	26.8
138.10066	1.3
139.11243	1.1
141.09221	2.8
153.09193	2.9
155.10774	46.9
156.11118	2.4
162.09245	5.2
169.34399	0.9
171.10268	100.0
172.10587	4.7
183.01158	1.2
185.11821	8.3
197.11838	7.6
201.11304	10.8
209.11836	11.2
213.11337	5.1
227.12901	1.3
262.69495	1.1
291.19644	3.6
300.16129	2.1
309.20700	5.9
327.13376	2.1
327.21762	61.6
328.22128	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	327.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	13.9
59.20936	3.5
60.35944	3.6
62.15539	3.5
70.10577	3.4
71.51615	4.9
83.04985	5.6
93.48158	4.2
112.55357	3.4
125.59238	3.6
141.30420	3.5
162.33842	3.8
163.11255	4.9
195.13979	18.8
223.13362	16.0
227.70813	4.1
241.14452	100.0
242.14867	5.2
262.25699	3.5
283.15497	14.9
327.44653	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	327.1814
Annotation	Botryoloic acid
Peak:m/z	Relative Intensity
50.36721	0.4
51.57664	0.5
55.01873	1.5
55.24332	0.6
57.03440	1.8
59.01378	35.5
69.66194	2.1
73.02943	59.8
74.03290	1.3
83.05022	1.2
87.00882	1.0
98.19987	0.6
99.04488	0.6
105.03471	0.7
119.05032	0.8
120.48321	0.5
121.02935	2.9
125.02433	1.5
131.05006	0.9
133.02960	0.9
135.04504	3.0
136.01654	1.0
139.04059	0.6
147.00871	0.7
147.92690	0.5
149.02452	1.8
149.06012	0.5
151.00465	0.5
151.03996	1.4
171.10188	0.8
177.01926	22.8
178.02547	2.0
179.03450	1.5
179.14522	0.4
193.12369	0.9
235.13316	1.3
239.29599	0.5
247.16930	0.5
251.64549	0.5
253.14441	18.5
254.14818	1.4
265.18112	5.6
267.15994	18.2
268.16339	1.0
283.06265	0.6
283.19241	0.7
286.14282	0.5
309.17026	3.6
309.20255	0.6
315.44592	0.5
327.05045	3.8
327.08759	6.8
327.18112	100.0
327.21530	4.7
328.08777	1.0
328.18478	9.6
328.22028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.9
59.79082	0.8
61.98831	100.0
63.78774	0.8
66.12968	0.7
67.65170	0.7
71.01385	4.1
71.50603	1.5
72.99281	0.9
75.00868	2.4
77.34667	0.9
81.31065	0.9
85.02915	1.1
87.81055	0.8
89.02444	2.5
93.03467	1.0
95.41658	0.8
96.96004	1.3
101.02431	1.6
107.05040	1.3
111.04578	0.9
113.02457	1.7
119.05015	1.8
120.05414	0.9
121.02967	1.6
122.17597	0.8
124.00749	1.9
127.04048	1.0
128.03497	1.0
134.04727	26.3
135.04524	3.3
142.12973	0.9
142.90704	0.8
144.99915	0.8
147.04514	0.8
152.91685	0.8
161.04575	1.0
164.03429	1.4
165.01892	2.2
165.04166	1.3
165.05537	5.0
168.91359	2.0
179.05634	1.5
237.03897	1.0
258.50089	0.8
326.11176	6.8
326.26685	1.0
327.07092	3.4
327.10706	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0874
Annotation	1,3,6,7-Tetrahydroxy-8-(3-methylbut-2-enyl)xanthone
Peak:m/z	Relative Intensity
57.03419	1.3
58.14303	0.6
59.01379	15.7
61.16617	0.5
61.98813	1.4
63.02388	1.9
65.00303	1.0
67.01878	1.0
68.99806	0.9
69.03437	0.6
71.01353	1.1
73.02563	0.8
73.02948	9.9
75.97247	0.6
85.02919	1.0
89.03966	1.0
91.01866	1.1
93.03461	17.5
94.03719	0.6
101.02444	8.6
109.02953	4.0
117.03439	0.7
119.05029	0.9
121.02966	1.9
125.06017	0.9
133.02924	2.7
137.09674	0.6
139.11278	2.4
145.02936	1.1
148.01675	0.8
163.03978	1.3
169.06560	1.8
171.04562	1.2
171.10283	1.0
176.01140	1.7
177.01942	3.3
181.12306	2.2
183.10277	3.3
189.00302	1.1
189.01926	13.3
190.02443	1.1
195.08102	1.2
195.13800	0.8
196.05286	0.8
197.06067	1.4
197.11786	0.8
211.07603	0.7
215.03499	5.2
215.07103	0.7
225.11272	2.7
227.07114	1.8
233.15488	4.3
239.12898	2.1
243.12357	3.2
251.16519	1.0
253.14471	2.6
265.18130	1.3
267.15958	2.2
267.19653	1.0
273.18683	0.8
282.36194	0.7
283.06110	100.0
284.06436	8.9
291.19049	1.2
309.07669	31.1
309.17188	1.5
309.20740	1.8
310.07980	4.1
327.08734	78.0
327.18018	10.5
327.21774	33.8
327.25827	1.2
328.09134	7.6
328.18573	1.2
328.22125	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	326.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71849	0.6
51.36457	0.6
59.01375	2.3
59.47548	0.6
61.98830	100.0
69.97468	1.8
70.43129	0.6
71.01391	1.0
87.00910	0.7
98.20546	0.8
101.02448	0.7
114.05626	1.4
119.05032	0.8
137.02461	0.7
182.20628	0.6
282.44440	0.7
300.97064	0.7
310.93527	0.7
326.20996	2.6
349.75140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.1
61.98830	100.0
67.74938	1.0
69.96107	3.3
71.01379	8.9
72.99324	1.2
73.02980	1.0
84.61216	1.1
85.02940	1.6
86.59293	0.9
89.02444	15.8
92.92818	1.7
98.20657	1.1
101.02448	5.4
101.87411	1.0
108.90196	1.3
110.89948	2.4
113.02431	4.5
115.00372	1.5
117.01971	2.3
119.03493	5.3
119.94695	2.7
120.59652	1.3
125.02451	2.2
128.03529	3.7
143.03535	1.3
149.04506	1.8
161.04591	2.3
171.88760	1.2
172.01080	1.1
172.97696	1.0
173.88541	6.4
175.88232	6.5
175.96591	1.1
179.05618	10.8
181.95282	3.4
182.92979	6.4
183.93057	3.8
183.94882	1.9
184.92732	6.1
196.53371	0.9
279.29584	1.0
283.14206	1.0
299.50519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.1
61.98830	100.0
67.74938	1.0
69.96107	3.3
71.01379	8.9
72.99324	1.2
73.02980	1.0
84.61216	1.1
85.02940	1.6
86.59293	0.9
89.02444	15.8
92.92818	1.7
98.20657	1.1
101.02448	5.4
101.87411	1.0
108.90196	1.3
110.89948	2.4
113.02431	4.5
115.00372	1.5
117.01971	2.3
119.03493	5.3
119.94695	2.7
120.59652	1.3
125.02451	2.2
128.03529	3.7
143.03535	1.3
149.04506	1.8
161.04591	2.3
171.88760	1.2
172.01080	1.1
172.97696	1.0
173.88541	6.4
175.88232	6.5
175.96591	1.1
179.05618	10.8
181.95282	3.4
182.92979	6.4
183.93057	3.8
183.94882	1.9
184.92732	6.1
196.53371	0.9
279.29584	1.0
283.14206	1.0
299.50519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Plakortenone
Peak:m/z	Relative Intensity
53.61259	0.7
59.01389	4.5
61.63258	0.8
69.77077	1.6
69.77488	2.7
71.01365	1.0
71.05027	1.7
83.05006	0.8
94.90961	0.8
97.06579	1.4
115.64838	0.7
121.02959	5.1
122.03712	4.7
123.04498	1.6
123.08187	1.1
125.09745	3.2
135.04570	1.2
136.05322	2.4
163.11243	1.1
164.08397	1.0
165.12877	1.7
167.14435	5.7
168.04279	1.8
181.12373	1.7
183.01242	2.2
193.15968	4.1
199.13390	3.1
207.17531	4.8
218.22272	0.8
225.11282	2.3
231.17574	3.5
233.15535	1.5
247.17094	1.2
249.18588	36.8
249.21205	1.8
250.18982	3.1
265.17996	1.0
275.16507	26.6
276.16885	2.6
281.21277	8.2
293.17587	100.0
294.17853	10.0
307.19113	4.7
318.09763	1.0
325.20221	93.9
325.23560	4.4
326.20584	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
59.01366	11.4
61.01046	4.0
61.98819	9.5
66.05025	3.7
70.65915	5.8
70.66229	5.5
71.05019	9.2
75.00339	3.6
81.03490	5.4
83.05026	4.9
97.06580	8.8
119.05013	20.2
120.05375	15.9
121.02968	7.4
122.03703	4.3
165.12791	7.8
167.14418	63.9
179.14429	5.5
183.01155	9.0
193.15991	32.1
207.17534	38.5
209.11812	8.2
209.31764	4.4
223.16965	11.6
249.18581	100.0
250.18979	7.1
275.16513	18.0
281.21222	77.4
282.21600	6.7
289.18118	5.5
293.17596	36.2
307.19171	92.8
308.19510	12.5
325.13541	11.2
325.20044	79.1
325.23837	32.5
326.20566	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15306	2.0
57.03433	2.4
58.00589	5.2
59.01392	8.6
69.03475	1.9
71.01373	3.6
73.02951	1.9
73.83964	2.0
76.02462	1.9
83.05040	3.0
92.12955	1.8
95.01349	1.6
95.05052	3.9
97.06605	2.9
98.20748	3.5
101.02477	2.0
109.06575	3.2
111.08175	13.7
111.08858	2.5
115.07719	2.3
121.06680	2.0
123.08166	4.2
125.01665	1.8
125.09754	4.0
127.07589	2.8
127.11314	2.0
130.54788	2.1
135.08145	2.7
138.57321	2.0
141.09256	1.8
149.09737	2.7
151.11273	3.1
153.12929	2.8
155.10762	3.7
163.11293	4.6
165.12808	2.0
167.10806	2.5
171.10252	23.1
172.10564	2.6
179.96941	1.8
181.12314	2.8
183.01228	3.9
183.10316	2.9
185.11841	12.1
195.10283	3.9
197.11819	16.9
199.13419	26.1
201.11343	21.8
209.11813	13.3
211.13359	2.8
213.11288	5.7
215.13025	2.8
225.15031	2.0
227.12888	100.0
228.13123	5.1
229.14413	7.2
237.14568	2.0
245.19043	5.1
257.77191	2.0
267.15887	3.1
289.18173	10.8
307.19110	25.6
325.14761	4.6
325.20190	40.2
326.20505	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01760	0.8
57.03434	3.5
58.00594	1.6
59.01378	9.3
59.35476	1.0
61.74789	1.1
61.98817	1.0
65.16731	0.8
68.08701	0.9
69.03450	4.6
69.19413	1.7
69.19814	8.1
71.01379	1.1
71.05023	5.0
71.34760	1.0
80.02678	1.3
80.95946	0.9
83.05035	2.6
85.06580	1.3
87.04523	1.3
90.68343	0.9
91.05529	1.1
93.07100	1.0
97.02946	3.6
97.06573	3.9
99.04354	1.0
109.06585	20.5
111.08188	1.7
121.06624	1.2
123.08128	1.8
125.06095	1.4
127.07668	2.1
128.84708	1.0
135.08205	1.1
137.09665	1.2
139.11226	1.3
141.09213	5.0
150.96680	1.0
151.11377	1.6
153.12688	0.9
169.12311	6.5
171.10240	3.6
181.12332	3.6
183.10265	7.1
183.13957	2.1
185.11819	1.6
193.12296	2.0
196.42114	1.4
197.11818	41.7
198.12187	3.0
199.13370	2.7
201.11261	1.4
209.11807	2.3
211.13377	23.5
212.13712	1.8
213.11285	2.6
219.13850	1.2
227.12886	3.2
235.13408	4.2
237.14941	3.7
239.13062	1.3
245.19057	3.2
249.15019	2.3
263.20190	2.2
271.17108	1.2
289.18066	5.0
307.19058	6.7
325.20190	100.0
326.20532	12.6
335.32892	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
50.83311	1.5
57.03440	5.8
59.01374	8.8
69.03455	2.7
71.01361	2.5
71.05016	7.9
71.41788	1.9
73.02924	1.6
73.40763	1.3
80.02644	1.7
81.03434	1.9
81.42891	1.3
83.05019	5.3
85.06587	3.2
87.04504	2.3
93.03455	1.3
95.05027	1.8
97.02927	4.2
97.06573	4.8
99.97941	1.4
107.05045	2.0
109.06593	29.1
111.08114	2.2
115.07655	1.4
125.06079	2.5
126.12674	1.2
127.07644	2.6
132.04518	3.6
136.07724	6.7
151.11206	2.0
153.09146	1.4
167.14430	1.3
169.12292	6.3
171.10205	3.4
174.32265	1.4
181.12360	4.1
183.10344	2.2
183.13843	2.7
193.12337	3.4
197.09995	3.1
197.11832	55.6
198.12151	2.4
199.13350	5.3
205.16417	1.3
209.11745	3.0
211.13371	37.3
213.11382	2.0
227.12822	5.5
231.13898	1.8
235.13348	5.4
237.14903	5.3
239.12857	1.9
249.14944	4.7
280.33917	1.4
289.18027	4.7
307.19205	5.2
325.11853	4.7
325.20175	100.0
326.20627	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37810	0.5
54.21369	0.5
58.00593	1.0
59.01379	2.0
64.05867	0.5
69.03449	1.1
70.60101	1.3
70.60441	0.6
71.01387	2.8
71.05013	1.0
72.49499	0.6
75.89966	0.5
80.02686	1.4
81.03456	1.8
83.05028	6.8
84.02180	2.9
85.02932	1.2
89.11797	0.5
95.05025	1.4
97.02954	1.1
97.06618	1.1
99.08160	1.6
109.06578	1.4
111.08148	0.9
115.07674	0.9
123.08153	0.7
123.93360	0.5
125.06078	0.7
125.09716	2.0
127.07639	9.1
135.08221	0.5
139.07658	2.0
149.09749	1.0
155.10762	1.6
157.08693	1.0
163.11269	5.3
165.12852	3.6
171.10274	2.0
178.09975	1.4
181.12326	1.2
185.11809	9.5
186.12100	0.7
191.10786	1.8
195.10245	2.3
197.11823	11.9
198.12227	0.5
209.11815	100.0
210.12183	6.7
227.12883	6.3
228.13202	0.7
237.11165	0.8
238.12080	4.2
239.16592	0.7
245.19034	1.3
247.63930	0.6
253.18175	0.8
256.13110	2.2
271.97043	0.7
289.18085	4.5
307.19131	56.7
308.19427	6.7
325.20172	31.6
326.20538	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.3
57.03440	8.9
59.01363	6.0
69.03453	4.5
71.01358	2.5
71.05013	11.1
71.42496	2.3
72.00804	2.3
79.05552	3.2
81.03480	3.3
83.05035	14.9
84.02168	5.8
87.05706	2.7
95.05018	10.8
97.02963	2.6
97.06596	16.4
106.04227	6.0
107.45792	2.3
109.06580	2.2
111.04535	2.7
113.06075	2.5
115.07676	3.7
121.06612	2.7
121.69543	2.3
123.04501	2.4
123.08167	7.3
125.06100	2.4
125.09709	10.1
127.11371	2.6
135.08139	12.3
137.09750	3.9
141.09273	2.5
142.02538	2.5
153.09227	4.3
163.11259	7.3
165.12820	3.7
165.31052	2.1
171.10272	41.3
181.12401	3.7
185.11790	8.2
191.14417	4.4
193.12375	10.3
197.11879	4.3
201.11385	2.7
205.15912	3.1
207.10265	3.9
209.11821	88.5
210.12137	5.8
211.13324	10.8
225.11542	2.4
227.12848	29.2
227.14876	3.0
231.13986	2.4
235.13414	3.6
237.14990	5.2
245.19142	4.2
249.14978	16.0
261.91815	2.4
267.15976	3.2
271.41504	2.1
288.16971	2.1
289.17972	18.6
307.19138	42.6
308.19418	6.5
325.20197	100.0
326.20490	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15184	0.5
57.03449	0.9
59.01380	100.0
60.01704	1.0
61.98829	19.7
63.99246	0.9
67.93786	0.6
71.01381	5.1
71.05279	1.2
72.99326	0.7
73.02954	2.6
74.02485	0.6
75.00872	2.0
76.94096	0.7
83.01432	0.7
83.05056	1.1
85.02508	0.7
85.02953	2.8
87.00889	1.1
88.67513	0.6
89.02465	2.2
95.01331	0.5
96.96024	2.0
96.96973	1.3
98.02486	0.8
101.02450	4.8
103.04095	0.6
111.04520	7.4
113.02471	2.4
115.00385	0.6
118.42381	0.6
119.03598	0.6
119.05022	10.1
123.04572	0.9
127.04019	2.4
134.04736	1.7
147.04503	0.7
150.26881	0.6
150.50333	0.6
159.03053	0.8
161.04575	3.9
163.04013	7.0
164.03659	0.6
164.07135	1.1
175.28459	0.5
176.36348	0.5
178.08759	0.6
184.75369	0.6
193.05055	0.6
195.06628	1.7
229.88448	0.6
265.12927	11.8
266.13315	1.4
282.11359	0.7
325.03601	2.6
325.10516	1.8
325.14426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	6.1
59.01369	18.0
61.98829	3.5
68.47071	2.5
70.74779	6.0
71.01390	9.0
73.02955	2.8
73.45763	2.2
83.05035	4.8
84.02161	4.7
95.05045	2.7
97.06567	6.3
99.08163	3.2
99.80771	3.0
106.04237	5.1
111.08149	37.8
113.06091	4.0
113.75876	2.8
115.07632	3.9
119.05026	3.1
121.02985	2.9
123.08163	17.4
125.09713	4.4
127.07658	3.7
127.11272	6.2
135.08197	7.4
137.09741	3.5
151.11282	5.9
153.09195	7.7
155.10770	7.4
160.68196	3.0
163.11328	5.8
163.99496	2.7
167.10777	7.2
169.12250	3.2
171.10277	62.7
172.10716	3.5
181.12366	3.1
183.01245	7.2
183.10292	6.1
183.13918	8.3
185.11836	43.4
186.12302	2.6
190.23357	2.4
191.14343	4.2
197.11816	27.5
201.11327	63.7
209.11746	15.7
211.13414	12.2
213.11351	21.3
225.14925	5.2
227.12923	9.0
245.19086	7.8
260.83728	3.1
263.20178	9.4
277.51639	2.8
281.21243	4.2
289.18140	16.5
307.19104	21.6
308.19464	4.3
325.15158	6.0
325.20242	100.0
325.24057	5.5
326.20682	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
57.88037	1.2
59.01384	7.2
61.98822	3.5
63.29235	1.0
64.29745	1.2
66.82879	1.0
69.24815	9.2
71.01358	1.9
76.08173	1.0
77.16297	0.9
81.38046	1.1
87.87073	1.0
97.37096	1.0
98.20681	2.0
101.46603	1.0
123.04527	1.4
144.42406	1.0
165.09190	1.8
165.12863	1.3
167.14429	1.0
170.74940	1.1
197.11758	2.0
207.13965	1.2
224.82278	1.0
233.15369	2.2
235.13365	1.3
261.22128	3.7
279.23254	1.3
279.26062	1.1
291.19595	3.4
305.21207	100.0
306.21585	10.4
323.18448	2.3
323.22226	33.4
324.22610	2.6
331.62064	1.1
339.98053	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
51.18719	0.3
53.05421	0.3
69.59456	2.1
93.03473	0.4
98.20718	0.6
119.05028	100.0
120.05356	4.8
163.04007	81.6
164.04353	3.5
176.27483	0.3
325.09152	0.7
339.56973	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82075	0.4
55.58961	0.4
57.39838	0.4
64.24915	0.4
69.74247	2.3
69.79167	0.4
70.76685	0.4
80.24966	0.4
83.59512	0.4
94.63147	0.4
98.19948	0.4
119.05028	100.0
120.05363	4.3
122.68327	0.4
138.85385	0.4
163.04007	82.0
164.04350	3.8
208.63826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62106	8.6
55.09007	10.3
59.01384	14.6
64.91608	8.3
72.01196	9.4
73.09662	8.9
90.89568	10.4
98.20693	20.7
105.35642	10.1
114.72012	10.7
137.09721	40.0
160.41991	11.2
177.12804	9.8
221.11789	14.6
224.27486	9.0
239.12915	100.0
261.24161	10.0
281.13962	17.4
284.46780	10.9
323.63013	9.1
339.21625	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	15.8
59.01380	61.1
61.34346	5.0
61.98820	16.5
62.13000	4.6
69.03453	12.4
69.29385	39.6
71.01377	23.6
71.05019	10.6
73.02943	8.1
75.00846	5.0
83.05022	18.7
85.02963	5.2
86.39381	4.1
93.03461	6.4
95.05023	12.7
96.96033	6.4
97.02985	4.7
97.06584	11.1
98.20676	9.7
99.04507	7.9
101.02462	4.5
101.06099	11.0
109.06584	18.2
111.04513	13.2
111.08176	4.8
113.06062	5.7
123.08126	11.4
125.09704	6.4
127.07652	7.4
133.06549	8.9
135.08215	10.6
136.42734	4.6
144.07611	4.5
149.09662	6.9
151.07701	6.4
151.11331	21.5
153.09146	4.6
163.11252	6.7
165.12819	28.5
171.10248	18.9
179.10748	13.4
181.12335	43.7
191.10783	17.6
203.14363	5.8
209.11780	100.0
210.98436	4.6
223.13345	7.3
235.13390	8.2
237.14943	8.7
279.15985	4.8
287.16412	9.2
289.15967	5.9
290.16794	46.2
295.19208	15.5
305.18054	14.9
306.18802	4.6
323.20239	43.0
324.20523	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25391	2.6
57.03442	8.6
59.01097	4.6
59.01374	32.9
59.96907	2.4
61.98819	11.9
67.01880	3.4
69.03432	5.1
69.56141	15.3
71.01366	3.5
71.05027	16.3
76.26335	2.6
79.84935	2.8
81.03460	9.7
83.01393	20.7
83.05021	9.6
84.02150	2.5
89.02396	2.5
93.03463	4.1
95.05029	34.6
96.96024	3.1
97.02971	3.4
97.06612	16.1
97.70421	2.6
98.20639	3.6
99.04512	6.8
100.05990	2.6
101.06075	7.0
107.05029	3.1
109.02973	2.6
109.06603	5.9
111.04535	4.7
113.06064	16.5
114.06432	2.8
120.05729	2.8
121.02927	3.4
121.06594	5.8
123.04500	7.4
123.08130	5.5
125.09743	24.5
126.10053	3.4
130.08733	31.7
131.09093	15.5
135.08159	22.0
137.09790	2.8
142.02530	2.6
149.09680	2.9
151.07616	5.9
153.09196	6.6
159.09210	12.3
163.11256	10.4
171.10236	7.9
185.11858	22.5
191.10747	7.8
191.14355	3.2
197.11899	3.6
203.10631	3.5
203.14374	9.1
205.76949	2.6
207.10219	4.6
209.11816	100.0
210.12158	7.5
211.13466	7.5
223.13423	6.6
225.11241	3.9
237.14970	5.4
243.17506	5.9
247.13350	12.2
249.14929	3.3
261.14883	2.6
261.18527	3.8
265.14362	25.5
279.19730	5.9
287.16476	11.3
305.17526	26.0
323.18317	53.8
324.18921	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01717	1.2
68.76856	0.6
71.01389	2.1
73.02947	0.7
73.18953	0.6
83.01417	0.5
85.02985	0.9
92.26068	0.6
98.19910	2.1
101.02449	2.3
103.00374	8.9
113.02470	1.3
118.49588	0.6
124.44934	0.6
147.04549	1.6
161.04597	1.0
161.06104	1.5
178.87041	0.6
206.83920	0.7
212.11772	0.6
229.20103	0.8
257.93021	0.6
263.14975	4.5
274.14212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74286	2.6
57.03448	12.2
59.01382	27.4
61.98817	9.5
62.91338	2.9
65.16785	2.7
69.03461	8.5
69.98823	14.5
71.01381	9.9
71.05015	17.9
73.02946	4.9
81.03464	7.4
82.42407	2.7
83.01388	14.5
83.05025	12.4
84.02159	3.7
84.53809	2.8
93.03436	5.1
95.05040	22.5
97.02942	4.3
97.06580	22.6
98.20013	4.6
101.06075	5.4
106.04250	6.0
107.05028	5.3
109.06606	15.8
111.04531	5.0
111.08207	5.6
113.02436	4.2
113.06109	3.1
120.05858	3.2
120.72031	2.6
122.03671	3.0
123.04521	5.5
123.08147	9.1
125.09763	21.0
127.07624	4.1
135.08147	16.3
135.51749	3.3
148.77788	3.3
149.09714	6.2
151.11267	8.3
163.11272	12.6
165.12834	11.4
167.10768	5.7
171.10176	4.4
179.10692	5.9
181.12364	18.7
185.11821	16.9
189.12839	6.6
191.10764	11.1
195.10233	6.3
199.09775	7.9
203.10701	3.4
203.14349	6.9
209.11821	100.0
210.10023	2.5
210.12167	6.8
211.13344	4.4
221.11838	4.4
221.15359	3.4
225.11298	4.3
237.14963	40.7
243.17480	12.1
247.13387	8.1
249.15042	4.0
265.14447	17.5
273.40686	2.9
287.16595	23.2
305.17599	29.0
306.17987	6.2
323.18619	53.9
324.18976	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45920	0.5
55.01889	0.5
57.03431	0.6
59.01379	100.0
60.01705	1.1
61.98831	12.3
69.97455	2.4
71.01384	3.1
72.99323	0.8
73.02959	2.3
83.00891	0.6
85.02979	1.4
89.02444	4.4
96.96004	0.5
101.02460	2.1
107.87997	0.6
111.51749	0.6
113.02474	2.5
119.03525	1.5
161.04594	1.5
168.47580	0.5
179.05669	1.8
179.07361	0.5
193.33916	0.5
194.15408	0.5
215.46471	0.6
218.68607	0.5
274.34915	0.6
323.09821	1.7
323.13425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.0
59.01384	11.3
61.98823	1.6
69.03457	1.3
69.11981	1.3
69.18042	1.4
70.89426	2.9
71.01382	2.8
71.05043	1.6
73.02982	1.7
75.00876	1.8
83.01409	4.1
84.04545	3.6
84.08199	1.6
87.04510	2.0
92.05030	2.0
94.47538	1.3
97.02954	2.5
97.06586	1.4
102.05626	3.1
102.19379	1.7
107.05038	2.6
109.06575	1.6
110.06112	3.7
111.04517	2.2
112.01717	2.0
113.02438	2.4
119.05033	9.3
120.04552	2.6
121.06617	2.3
122.03714	1.9
123.04517	1.7
127.03935	1.6
128.07175	15.7
135.04529	4.5
135.08118	2.1
136.05327	3.9
136.07683	2.2
148.05298	2.5
148.11290	5.1
149.06071	5.3
149.09712	2.2
151.07646	6.4
153.05632	2.3
159.04529	1.6
159.11772	3.1
161.09668	1.8
163.03984	1.8
164.08473	1.6
164.10751	3.8
165.09216	9.0
167.07129	6.1
173.06004	3.2
173.09836	2.1
175.07585	2.0
175.11269	7.0
180.06680	2.1
182.11873	2.3
185.09743	2.9
187.07643	2.3
188.08391	9.2
190.16014	6.2
192.10291	100.0
193.10643	5.8
195.06628	2.8
203.10776	32.2
204.11134	3.5
216.13986	2.6
217.15866	2.2
219.10291	1.7
234.14966	13.9
235.13245	1.8
247.09747	20.4
248.09940	2.3
260.12885	2.8
266.13962	5.0
278.13940	36.0
279.12088	1.9
279.14597	1.9
305.15067	24.3
306.15231	1.6
323.11258	11.0
323.14951	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	323.1286
Annotation	dorsmanin A
Peak:m/z	Relative Intensity
59.01389	1.4
61.98826	0.9
67.79237	0.3
71.06513	0.5
85.50922	0.2
88.64466	0.2
93.03447	1.0
100.16091	0.3
107.05064	0.4
119.05027	100.0
120.05369	3.9
121.02924	0.3
126.66032	0.3
136.01653	0.3
143.04985	0.4
144.05838	0.7
145.03018	0.6
157.06569	2.9
158.82082	0.3
159.08147	6.3
160.08444	0.4
175.07640	0.6
201.05638	0.5
203.07140	21.0
204.07561	1.4
217.08672	0.3
221.08174	12.5
222.08485	0.9
231.74654	0.2
291.19699	0.9
323.12872	47.9
324.13193	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01711	1.2
69.43746	4.4
71.01394	4.0
72.99298	0.8
74.99100	4.4
83.74920	0.6
85.02971	2.0
88.24757	0.6
89.02454	1.0
95.01397	0.8
96.96030	3.1
97.99274	0.7
98.20627	1.3
101.02441	1.8
101.06080	71.9
102.06425	1.9
113.02465	4.6
113.03148	0.6
115.07673	2.6
119.03521	1.0
119.04987	0.6
120.99699	0.9
136.99121	4.1
145.03001	1.6
147.06580	0.8
161.04585	2.6
163.03967	1.0
210.10919	0.6
263.11221	3.0
323.07767	1.3
323.11816	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	323.1285
Annotation	(-)-phaseolin
Peak:m/z	Relative Intensity
59.01376	3.6
61.98810	1.2
62.02226	0.5
66.13474	0.4
87.18373	0.5
91.01897	33.7
92.02248	1.3
96.96023	0.5
98.20725	1.3
98.61777	0.4
132.05815	39.3
133.06157	1.5
135.00887	48.8
136.01204	2.0
149.02481	0.7
153.01935	29.1
154.02240	0.6
164.04794	23.5
165.05072	1.1
187.11281	100.0
188.11597	7.4
213.09117	0.6
237.39420	0.5
246.87505	0.4
323.12869	75.0
324.13248	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	323.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60490	1.9
54.47535	1.7
55.01869	8.9
57.12349	1.8
58.80771	1.7
59.01379	25.2
61.98833	6.1
65.03957	2.5
68.99846	1.8
69.03447	4.5
69.42147	14.6
71.01379	2.9
71.05033	2.4
73.02955	5.6
75.00877	4.3
81.03465	3.4
83.01398	4.6
84.04542	2.2
87.04485	4.7
91.05545	5.1
93.03452	8.7
93.05759	1.8
93.87653	1.8
95.05025	2.9
97.02953	8.4
97.06570	3.0
101.06086	3.1
102.05614	2.5
106.04222	3.6
107.05048	10.2
109.02968	3.9
109.06554	4.2
111.04506	7.9
112.01662	9.6
112.04039	3.3
113.02435	4.4
119.05040	35.0
120.04505	2.4
121.02935	3.0
121.06593	8.7
121.60443	1.7
122.03735	3.3
123.03252	1.9
123.04551	11.9
123.08241	2.2
125.09772	3.7
128.07182	8.8
134.03743	4.8
135.04523	11.0
135.08171	6.5
136.05276	5.6
136.07619	2.3
137.02429	2.4
137.06100	4.2
145.06566	2.1
146.04535	3.6
147.04393	4.1
147.06665	2.0
147.08136	3.9
148.05278	9.7
148.11346	2.9
149.02446	5.0
149.04977	2.5
149.06059	14.8
149.09689	2.5
151.04074	11.8
151.07651	17.5
153.05592	3.3
153.09187	4.7
159.04532	7.2
159.11751	9.8
161.04739	2.7
161.06075	2.4
161.09720	7.7
162.06885	3.1
163.04024	8.0
163.11276	2.6
164.10869	2.1
165.09203	6.8
167.07129	16.5
168.04182	2.2
168.07430	2.9
173.06081	10.8
173.09738	3.2
174.06776	6.2
175.11313	25.2
176.11656	2.1
181.08687	2.1
182.11932	2.7
185.09676	7.5
187.07639	5.4
188.08409	29.7
189.09048	3.6
189.61209	2.1
190.15907	3.3
192.10313	64.9
193.04874	2.0
194.11913	3.4
195.06654	18.3
195.10336	2.6
198.18454	2.0
201.05615	2.6
201.09149	3.0
203.10785	100.0
204.11115	8.1
211.13405	2.4
217.12483	2.7
217.16026	9.1
219.10193	5.7
232.72310	1.8
233.15593	2.4
234.15034	9.5
235.13382	8.7
247.09756	70.6
248.10123	3.9
259.13257	3.7
261.14920	6.6
266.13800	2.9
277.14233	3.9
278.14001	24.6
279.12238	13.3
288.16299	2.7
291.08710	4.6
293.14081	6.0
304.05737	2.4
305.13998	49.9
306.14096	3.4
306.17267	4.7
313.49567	1.8
323.11310	33.0
323.14975	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	323.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93398	4.8
52.30228	5.7
59.01372	24.4
72.11273	5.4
79.89037	5.4
94.63489	5.8
98.07707	6.1
103.00368	34.4
104.37560	6.0
136.07646	6.5
147.04510	12.6
150.15921	5.9
157.06592	7.7
159.08139	13.6
160.08852	17.3
161.04434	5.6
173.09729	7.2
175.04002	14.1
175.11276	66.8
219.10231	100.0
275.14017	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	323.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.2
57.03455	2.1
59.01381	22.9
61.98540	2.0
61.98813	12.1
65.03935	2.2
69.03445	3.5
70.82772	4.1
71.01363	6.0
73.02936	2.6
81.03420	2.8
83.05010	2.3
85.02945	2.6
87.00856	2.5
87.04513	3.1
91.05525	4.0
93.03455	6.1
95.05010	3.5
97.02943	8.8
97.06567	2.6
99.04495	3.4
101.06065	4.9
106.04217	6.3
107.05038	9.8
109.06573	4.7
112.01676	3.7
113.02459	4.2
119.05038	14.1
121.02960	2.8
121.06555	8.6
123.04505	9.5
123.08149	2.9
125.09691	3.1
133.06537	2.3
134.03656	3.3
134.73483	1.9
134.74670	1.9
135.04520	5.8
135.08153	9.7
136.05296	3.7
145.02950	2.9
147.04521	3.0
147.08153	2.6
148.05315	5.6
149.02412	3.6
149.06084	11.0
151.04012	9.8
151.07588	11.7
153.05560	2.0
153.09192	3.0
159.04494	7.9
159.11745	5.5
161.04613	2.0
161.05943	2.1
161.09703	6.6
162.06770	3.9
163.04021	3.5
163.11221	3.0
173.06078	10.3
173.09674	4.3
174.06834	3.7
175.11290	18.9
181.08664	4.7
185.09755	4.9
185.11748	2.9
187.07578	5.9
188.08400	30.0
189.09024	3.0
190.06172	3.1
195.06677	10.7
203.10764	100.0
204.11072	8.6
217.08708	3.8
217.15991	13.5
219.10187	3.8
231.13809	2.4
235.09644	3.4
235.13344	13.0
247.09737	82.8
248.10065	4.9
259.13394	6.4
261.14935	14.6
277.14487	3.1
279.12247	10.8
279.15942	5.8
293.14011	4.2
305.10443	3.4
305.13931	53.1
306.14063	5.6
323.11179	20.6
323.14957	9.5
323.18457	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	323.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91414	0.7
59.01379	8.6
59.63583	0.6
61.98830	100.0
71.01369	1.4
71.20887	1.3
73.02959	0.7
86.89230	0.7
89.02454	0.8
94.35969	0.6
101.02438	0.9
104.21162	0.7
113.02451	1.2
124.23653	0.7
125.25643	0.6
138.61130	0.6
217.11003	0.7
218.27287	0.6
263.11374	1.5
274.28320	0.7
323.13492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.2
61.98831	100.0
62.71540	0.7
71.01405	0.9
71.28043	1.3
75.77071	0.6
79.68502	0.6
96.94186	0.7
96.96027	4.9
101.16356	0.7
113.02496	1.2
161.08186	1.5
216.09044	0.7
222.71815	0.8
266.24594	0.7
323.11874	3.2
323.17361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50600	0.8
59.01382	2.8
61.98831	100.0
64.72527	0.6
67.66848	0.7
69.71682	4.2
75.18589	0.7
76.78255	0.6
96.95991	1.1
113.02456	1.5
259.10049	0.6
266.13745	0.6
287.19781	0.7
300.12250	0.7
308.16351	0.6
347.08728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58734	0.4
57.03441	1.0
59.01381	3.8
61.98832	100.0
68.99570	0.5
70.92489	0.9
71.01380	1.6
73.02943	1.0
78.91888	0.8
85.02921	0.5
86.13783	0.4
89.02459	1.2
99.00953	0.5
99.04493	0.6
101.02438	0.7
108.90196	0.5
110.89922	1.1
112.89687	0.7
112.98592	0.6
113.02450	0.8
113.18508	0.4
117.01945	0.8
119.03516	0.4
125.02468	1.4
134.04758	1.2
161.04613	1.2
167.79959	0.4
173.88637	0.7
174.65744	0.5
174.96509	1.0
222.06290	0.7
222.95221	0.5
229.96327	0.4
308.45386	0.5
323.13489	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79621	1.0
59.01381	100.0
60.01725	1.9
70.38483	3.0
70.79256	1.1
71.01379	4.9
84.04566	1.1
89.02451	4.4
96.95993	1.2
101.02435	1.3
104.45552	1.0
113.02416	1.9
116.23552	1.2
118.51858	1.2
119.03493	2.3
121.05297	1.1
130.06599	1.7
134.86707	1.0
136.00307	1.2
136.07654	6.0
138.05614	1.6
174.05554	2.4
190.05070	1.6
197.02711	1.3
201.96683	1.1
329.21307	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2022
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
57.03447	0.2
58.02974	2.0
58.19577	0.2
59.01380	0.9
61.98828	0.4
69.62701	1.0
70.80216	0.2
71.42381	0.1
81.03452	0.6
83.05024	0.3
95.05025	0.9
97.06609	0.6
108.85831	0.2
109.06607	0.4
122.50926	0.2
128.10823	7.3
129.11163	0.2
130.08739	100.0
131.09096	3.2
149.09871	0.2
165.12852	0.8
166.13239	0.1
172.09830	0.6
209.11961	0.2
236.18918	0.2
266.56326	0.2
278.21228	0.3
322.20221	36.9
323.20615	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	323.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.6
57.03447	33.1
58.00602	1.2
59.01379	59.5
61.98830	100.0
63.02393	1.4
68.99556	5.9
69.03439	1.7
70.25284	3.2
71.01383	25.1
73.02950	14.2
79.05531	1.3
81.03458	11.5
83.01384	4.5
85.02943	4.6
87.00853	2.3
89.02451	23.2
93.03454	2.3
95.01415	8.4
95.01942	1.7
96.95988	1.5
97.02956	6.5
97.06573	1.4
99.00881	3.8
99.04529	23.1
101.02445	25.2
107.01357	5.8
109.02953	1.3
112.98564	7.2
113.02459	13.8
115.00380	1.7
119.03503	8.9
121.90144	1.4
123.04533	7.7
124.00780	1.8
125.02447	70.6
126.02774	1.9
131.03534	2.7
134.04697	4.9
139.00360	5.1
139.03940	1.6
141.01924	1.6
141.05609	2.5
143.03484	4.0
161.03279	2.6
161.04559	50.4
161.05905	2.8
162.60777	1.2
164.52165	1.4
169.01387	3.7
173.88525	3.1
174.01747	7.8
174.96507	2.0
179.05594	12.4
203.05576	1.5
225.03969	2.7
233.06613	3.5
240.57928	1.2
243.05078	1.5
263.07806	9.6
269.02975	1.7
269.89969	1.5
287.04077	9.6
323.09631	9.1
323.13416	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	323.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	1.2
59.01383	12.7
61.98829	100.0
70.83163	1.1
70.83502	1.0
71.01392	2.2
85.15142	0.7
89.02454	2.8
95.01369	0.7
101.02452	1.8
113.02444	1.5
119.03512	1.0
123.04973	0.6
146.68590	0.6
147.23946	0.7
161.12491	0.7
190.29547	0.6
192.92410	0.7
193.51985	0.6
215.07831	0.6
323.13489	8.4
324.13794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01707	0.7
69.34532	3.0
71.01385	2.7
74.46498	0.4
81.30816	0.4
86.05839	0.4
89.02435	3.5
98.19933	0.8
101.02480	0.9
113.02480	1.4
119.03515	1.6
142.02364	0.5
179.05750	0.6
195.19252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.3
60.01716	0.7
61.01796	1.4
61.98829	100.0
62.97492	0.6
69.65199	1.8
69.65610	2.6
71.01389	1.7
89.02448	1.8
92.64744	0.8
98.19992	1.3
101.02447	1.1
113.02514	1.2
124.92463	0.7
127.01643	0.7
145.06631	2.7
173.06140	1.5
196.06465	0.7
217.05054	1.1
312.26746	0.9
321.12180	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	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03448	0.8
58.00581	0.7
59.01380	22.5
61.27703	0.6
61.98824	2.3
69.54848	3.3
71.01009	1.1
71.01382	14.7
72.99302	1.0
73.02939	2.8
75.00861	0.8
77.19746	0.5
83.01384	2.1
85.02944	3.9
87.00876	1.2
89.02448	8.0
93.03465	3.3
95.01389	2.0
96.96027	0.9
98.19946	1.1
99.00887	0.8
99.08164	1.2
101.02438	9.7
104.69019	0.6
111.00877	0.9
113.02450	4.7
113.09716	1.4
117.03449	2.0
118.02989	2.0
119.03517	2.2
119.04977	1.7
120.99648	1.8
123.08125	0.5
129.01942	0.8
130.04251	3.2
131.05006	3.3
133.06526	0.6
141.09247	3.7
143.05014	4.2
145.02942	9.1
145.06590	31.5
146.03404	0.5
146.06911	1.6
157.08719	1.2
158.03751	2.7
159.04544	4.0
159.10255	22.1
160.05247	1.6
160.10590	0.5
161.06079	2.0
164.07169	0.8
171.04500	1.4
173.06065	21.1
174.05554	1.6
185.06090	0.9
187.04037	5.0
189.05583	2.0
203.07079	1.0
217.05035	13.9
218.05344	0.9
243.79356	0.6
250.47525	0.6
277.07245	4.7
278.07401	0.7
303.14313	2.2
321.15524	100.0
322.15891	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	321.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.9
58.02974	7.7
58.54014	0.8
59.01069	1.9
59.01378	40.5
60.01705	5.4
61.01801	1.0
61.98831	100.0
68.17178	1.0
69.03455	1.0
71.01382	9.2
71.50606	1.3
72.00875	1.7
73.02934	1.1
74.77849	0.8
79.05549	1.2
83.01394	1.6
84.04556	6.8
85.02942	4.9
87.00876	3.8
88.02328	1.1
89.02435	9.4
90.02740	1.3
92.05055	9.3
95.01397	1.1
97.02971	0.9
97.06577	1.6
99.00932	1.6
101.02451	4.0
103.00372	1.0
110.02474	1.5
113.02444	2.9
114.02731	0.9
119.03505	2.9
119.05059	1.6
120.04552	3.2
121.81214	0.9
124.04099	1.1
128.03540	27.7
131.03639	1.4
141.05663	1.0
143.03516	1.1
143.04947	1.4
143.07104	2.8
144.04555	6.9
145.06596	3.8
146.02477	3.5
146.06064	4.7
147.04492	3.3
148.04034	19.1
148.05118	1.9
151.04074	1.1
155.67101	1.2
159.04552	1.6
159.08206	1.2
161.04556	1.3
164.07144	4.0
173.05931	1.6
173.07300	4.9
174.03874	1.3
175.02423	1.4
177.09158	2.4
180.05948	1.2
186.09206	1.3
187.04025	2.5
208.06013	1.2
215.08250	7.2
217.05077	1.3
230.08342	1.0
231.02997	1.1
235.07278	1.5
235.95209	1.0
258.14429	1.9
259.07208	2.2
277.08322	11.8
278.08633	1.0
321.08307	1.8
321.11813	5.6
321.15219	1.2
322.05856	3.1
335.68668	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	6.7
58.99598	1.1
59.01381	36.8
60.01720	1.5
61.98835	1.7
69.60188	7.9
71.01370	2.4
74.99083	1.3
83.01360	3.1
84.04549	2.5
93.03481	7.5
94.60271	1.3
96.96033	2.1
98.20713	2.4
99.92567	1.6
101.02445	1.9
102.05593	3.4
116.92865	3.5
117.03471	7.5
118.06692	2.0
119.05054	3.5
120.04499	1.5
120.99652	4.1
123.00918	3.2
128.03514	6.8
128.05070	4.6
129.05861	1.6
130.04257	9.3
130.06622	42.0
131.03777	4.8
131.05020	10.6
133.06612	1.7
134.03732	3.9
136.99194	1.7
143.05025	11.4
144.04532	14.3
144.05482	1.9
145.01776	1.5
145.02945	31.4
145.06587	100.0
146.03505	1.7
146.04626	9.0
146.05951	9.8
146.06972	3.4
149.06050	2.8
156.05777	1.5
158.03716	7.3
159.04512	15.8
160.05167	4.0
161.04680	2.5
161.06096	4.8
171.04515	2.7
172.03903	1.7
172.05290	2.2
173.06055	67.2
174.05540	40.5
175.04027	2.6
175.05997	2.3
185.06105	1.8
187.04005	16.7
189.05521	5.7
190.05089	33.3
193.04985	1.6
198.39581	1.4
203.07123	3.7
215.08398	2.0
217.05025	48.2
218.04716	5.5
277.07104	13.0
301.86069	1.4
304.08279	2.0
321.06491	2.4
321.10486	1.8
321.14676	1.4
322.09442	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	320.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	0.7
59.01380	100.0
60.01707	1.2
61.98832	5.6
69.77850	3.6
71.01380	17.4
73.02945	0.9
79.78277	0.6
85.02963	2.1
87.00874	1.3
89.02449	26.7
95.01415	1.1
101.02453	8.1
113.02449	8.7
119.03494	8.4
128.06235	0.8
131.03513	1.0
143.03496	2.2
161.04602	2.2
179.05605	6.6
257.92929	0.8
260.11569	1.4
260.52133	0.8
281.19635	0.7
306.64990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95131	0.3
55.01880	1.2
59.01381	8.4
60.01712	0.4
61.01803	0.4
61.32968	0.3
61.98826	1.2
65.03970	0.4
65.83840	0.3
68.99810	1.7
71.01382	1.5
71.05024	0.4
71.51458	0.5
73.02945	0.5
83.01374	2.4
85.02950	0.5
87.00859	0.4
93.03458	9.9
95.01393	0.7
96.96008	0.7
96.99322	0.4
99.00869	0.6
99.04520	2.0
101.02464	0.6
106.87617	0.4
107.12286	0.3
109.02956	0.6
110.02415	0.4
111.00882	1.4
112.02271	1.9
115.00359	0.8
115.92128	0.4
117.03455	8.6
117.04279	0.5
119.05020	3.7
120.99659	3.6
121.02950	0.7
123.00880	1.9
123.04523	0.8
124.01707	0.6
126.56944	0.4
127.05154	0.3
128.07170	0.4
130.04253	10.8
130.06590	0.5
131.05038	9.1
132.05811	1.0
133.02977	0.4
133.06612	1.9
134.03723	0.6
136.99228	0.5
143.05020	14.7
144.05479	0.6
145.02953	30.4
145.06587	100.0
146.03296	1.5
146.06946	5.4
155.05099	0.6
156.05798	1.3
157.06526	1.2
158.03740	7.7
158.07022	0.4
159.04514	13.7
160.01651	0.4
160.05313	2.8
161.04657	0.9
161.06065	5.8
163.03973	0.8
171.04498	3.6
172.05272	2.1
173.06065	67.3
174.06500	3.1
175.02444	1.8
175.03986	0.9
184.05226	0.6
185.06032	2.4
186.06856	0.7
187.04002	18.9
188.04329	0.8
189.05563	5.6
199.03970	1.2
200.03883	1.3
201.05608	1.0
203.07123	4.2
212.42320	0.4
215.03554	0.5
215.07022	2.0
217.05042	42.0
218.05315	2.3
229.05096	0.8
230.05302	0.4
231.02876	2.5
233.04482	0.7
233.08221	0.7
240.62711	0.3
244.17162	0.3
254.64226	0.3
261.04034	0.5
277.07144	12.2
278.07358	1.4
279.12018	0.4
299.45377	0.4
310.72195	0.4
321.06146	1.6
321.10703	1.4
321.15073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2277
Annotation	19S-HETE
Peak:m/z	Relative Intensity
50.12740	0.6
59.01381	14.2
61.98825	1.5
69.03460	13.0
70.63760	1.8
71.01376	1.4
71.05007	0.9
73.60773	0.6
89.02431	1.1
108.03255	0.6
129.94818	0.6
136.60982	0.7
155.95067	0.7
161.04559	1.9
180.55025	0.6
275.23752	1.8
319.22757	100.0
320.23065	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	320.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48777	0.5
52.44601	0.5
55.01868	0.7
58.09998	0.6
59.01376	100.0
60.01714	1.3
69.84850	3.1
71.01378	9.2
73.02959	1.9
83.54019	0.6
85.02963	2.6
89.02449	2.1
94.71275	0.6
95.01411	0.8
98.19977	1.0
99.00929	0.7
101.02425	3.1
113.02436	5.1
133.12546	0.6
142.45596	0.7
143.03520	1.0
159.03062	1.1
161.04544	21.5
162.04945	0.9
188.05663	3.7
226.98048	0.6
258.02130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75309	0.6
58.00595	0.9
58.38826	0.6
59.01378	100.0
60.01683	0.7
61.98826	10.6
63.28933	0.6
66.89703	0.6
70.68321	1.3
70.68671	0.8
71.01379	18.1
72.99290	0.9
85.02953	1.3
89.02441	22.5
95.01396	0.9
101.02439	8.8
113.02453	7.1
115.74562	0.7
119.03495	9.7
131.03494	1.5
133.91743	0.6
143.03496	1.8
149.04562	1.4
161.04546	2.1
171.31749	0.6
179.05608	7.1
326.09976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38783	0.8
59.01381	100.0
70.25304	1.2
70.25655	3.0
71.01383	8.2
73.02945	2.1
85.02944	4.3
89.02448	7.8
97.06210	1.0
99.00896	1.0
101.02433	6.5
108.04565	1.3
110.12259	0.8
113.02457	10.8
119.03490	6.9
123.04466	1.0
138.05629	4.5
143.03496	2.8
150.05609	2.8
161.04550	5.3
179.05586	2.5
188.92204	0.9
207.43053	0.9
210.04318	0.9
303.65881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
62.53031	0.7
69.78824	3.1
71.01379	8.0
73.02956	2.1
76.69887	0.7
83.01397	0.8
85.02963	3.1
89.02441	4.7
99.00884	1.4
101.02443	5.5
112.45845	0.6
113.02456	3.9
117.27272	0.7
118.69568	0.6
119.03530	1.6
131.86755	0.7
142.27266	0.8
143.03526	1.3
149.04517	0.8
159.03014	1.4
161.04549	11.9
179.05629	1.3
232.90871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86609	0.6
59.01380	100.0
59.06606	0.6
60.01717	1.4
70.92435	1.7
71.01380	9.2
73.02966	2.3
79.18975	0.7
85.02952	3.3
89.02444	4.3
90.87395	0.6
95.01405	0.7
98.20652	0.7
99.00909	0.7
101.02436	4.4
113.02474	5.4
119.03533	1.8
133.81274	0.7
138.05606	1.5
159.02977	1.0
161.04565	9.0
179.05641	2.0
185.06607	0.7
245.88438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1707
Annotation	Hippeastidine
Peak:m/z	Relative Intensity
50.91495	0.2
51.87439	0.2
57.88648	0.2
59.01383	2.5
61.53241	0.2
61.98824	0.3
66.94810	0.2
70.43635	0.2
71.01389	0.4
74.02485	0.2
91.05549	0.2
93.03451	0.5
95.05039	0.6
97.02953	0.9
106.04243	0.5
107.05038	0.2
109.02942	0.7
117.03456	0.5
121.02953	1.3
129.90135	0.2
132.02179	0.2
133.02951	7.4
134.03748	9.4
135.04524	51.4
136.04871	2.2
137.02440	6.9
138.02786	0.2
139.04016	4.3
149.02518	0.2
150.03235	0.5
153.01938	0.7
161.02437	15.7
162.02765	0.9
165.01926	0.6
178.02698	2.5
179.03493	29.9
180.03865	1.2
183.02966	3.2
196.09137	0.2
233.37747	0.2
248.82497	0.2
318.17081	100.0
319.17426	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	319.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	6.2
59.01386	5.0
69.63503	3.9
71.01386	0.7
72.00911	5.2
82.06614	2.5
91.05535	9.5
102.48434	0.8
112.07687	3.0
113.39399	0.6
118.06629	2.4
126.09258	1.1
128.42712	0.7
129.10345	65.1
130.10658	2.4
147.04523	22.1
148.04851	1.1
153.10306	4.4
154.08727	9.3
164.07162	52.7
165.07503	1.7
171.11389	45.2
172.11667	1.9
187.79565	0.8
216.14011	1.0
233.16576	31.7
234.16908	2.4
275.17542	5.1
277.15607	2.1
291.76492	0.7
292.85410	0.7
319.16617	100.0
320.16928	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	315.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06383	0.9
55.85850	0.8
59.01378	100.0
60.01719	1.3
63.71185	0.9
64.21169	0.9
69.98874	4.0
90.53337	0.9
99.77679	0.8
110.00101	4.1
110.88608	1.0
113.09574	0.9
133.06596	1.1
137.99606	1.4
142.73936	0.9
150.03255	1.0
156.37860	0.9
159.38817	0.9
162.60916	0.8
165.05580	0.9
165.99066	3.5
166.99858	0.9
199.50743	1.0
209.49847	0.9
236.48854	0.9
267.10092	1.1
272.03241	1.6
283.02484	1.7
300.02716	13.6
301.03140	1.9
315.05093	11.9
316.05270	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	316.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71684	2.2
59.01379	15.3
61.98831	4.9
66.25999	2.0
69.63934	12.9
70.05265	2.2
71.01390	7.0
72.99316	7.4
73.02964	4.9
74.02479	3.5
75.00874	31.1
75.93344	1.9
78.03493	4.4
81.03458	5.6
88.04040	3.9
89.02456	7.2
93.03458	8.6
94.02995	18.3
95.01396	8.8
96.00935	2.2
96.04559	7.5
98.19981	2.8
105.39335	1.9
108.02184	13.0
109.03087	11.4
110.02493	10.2
110.03250	4.0
115.00347	2.5
117.01949	3.4
117.05571	9.2
119.01395	4.0
122.02488	43.3
123.00925	3.0
123.04765	2.3
124.04050	8.4
125.02445	2.9
129.10381	2.7
134.02472	8.3
134.04707	4.4
135.00882	3.6
135.03009	43.9
136.04062	8.1
137.02498	10.1
138.01964	22.2
140.03503	9.8
150.01967	6.9
151.04041	5.7
152.01176	4.8
152.03542	3.2
153.01668	8.5
154.02283	2.9
154.05095	4.3
155.03505	6.1
162.01978	6.6
166.00089	4.6
166.01456	83.5
166.05179	4.1
167.01765	3.9
168.03030	4.7
169.05104	7.1
174.01678	9.1
178.01469	6.8
179.25557	2.3
180.03053	7.4
181.01518	2.0
185.04506	3.4
194.00912	4.0
194.04643	3.7
195.02956	3.9
198.04085	100.0
199.04424	5.5
200.14008	6.5
201.12459	2.5
206.00955	24.5
208.02544	3.0
213.04057	3.7
224.02029	4.5
226.03633	4.7
238.03563	30.5
248.91524	2.1
256.04562	5.4
273.06134	4.2
286.17932	3.2
316.07568	19.7
316.15103	8.9
316.18878	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	317.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01377	21.0
59.09230	0.9
59.58092	0.8
66.91064	0.7
69.40485	2.9
69.40897	2.5
71.01380	2.7
71.05028	1.0
72.99310	1.2
73.02955	4.2
83.05034	1.1
85.02943	1.4
89.02450	1.3
91.04018	1.3
97.02957	1.1
97.06578	0.9
99.00895	9.7
101.06082	1.4
109.06547	2.0
123.08144	1.0
125.09732	2.6
132.64758	0.8
135.08209	1.8
137.09731	8.2
155.10776	100.0
156.11134	5.2
160.03935	0.8
163.11346	1.7
181.12346	14.2
182.12640	1.1
197.11763	2.8
199.09749	67.9
199.13394	54.3
200.10072	3.4
200.13681	3.0
207.10234	8.3
225.11327	24.4
243.12346	26.9
274.10764	0.9
290.72797	0.8
317.12326	17.3
317.16006	65.6
317.19687	12.6
318.12827	1.4
318.16483	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	317.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80752	1.5
55.01889	1.5
57.03428	1.6
59.01377	11.8
59.26801	1.4
69.49000	9.5
71.01363	3.9
71.05009	6.9
79.75797	1.5
81.33672	1.7
89.57146	1.5
97.02962	6.4
97.06593	2.9
99.00874	33.4
110.03748	2.7
113.96527	1.5
122.98325	1.5
123.08151	3.7
125.09734	12.8
129.05588	1.9
133.02931	1.9
135.08118	2.2
142.02676	2.3
148.54337	1.5
163.11298	17.3
164.11642	1.8
166.78697	1.8
181.12334	54.6
182.12624	4.1
199.13391	39.0
200.13756	3.4
204.83733	1.7
207.10245	52.9
225.11319	92.3
225.26241	1.8
226.11606	6.5
243.12367	94.4
244.12607	5.7
273.12430	1.9
310.74823	1.5
317.16049	100.0
317.19092	3.5
318.16696	9.2
324.85913	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	315.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65688	4.5
52.77024	3.9
57.03444	65.1
59.01381	21.5
61.98816	8.9
69.50965	4.5
69.64639	14.4
69.65071	13.7
83.05023	100.0
98.19902	9.6
107.05043	15.9
108.58123	4.6
109.06590	11.3
111.04575	4.9
125.06178	4.9
133.06624	13.1
145.10214	6.1
147.08173	5.4
149.06024	8.7
149.09752	30.7
150.03311	6.5
151.07655	6.5
161.09747	5.8
163.16954	4.7
163.18336	4.4
165.05556	15.5
173.09688	34.8
195.11845	7.5
213.12823	21.6
238.15584	4.2
239.14487	8.4
245.15511	15.7
253.15962	10.0
257.15448	35.1
261.16489	8.5
263.14389	7.9
264.15076	28.1
269.19000	5.2
273.69095	5.4
279.17560	25.0
297.18582	42.8
298.19128	6.0
300.02594	8.6
315.05057	9.2
315.19598	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	56.4
58.99214	2.2
59.01383	16.1
61.48164	2.8
61.98837	5.1
64.11851	2.2
65.03990	2.4
67.01888	2.7
68.71937	2.4
69.66212	13.8
75.39310	2.5
79.05551	5.0
81.03484	2.5
83.05031	100.0
84.05355	2.4
85.02994	2.8
88.75587	2.5
97.06590	3.1
98.19920	3.7
106.76719	2.1
107.05061	12.2
109.06577	11.3
111.04604	2.3
117.42484	2.2
119.04974	2.6
121.06536	3.5
123.08126	6.4
124.13059	2.5
133.06590	9.5
135.08170	3.5
137.09749	6.9
141.60840	2.5
145.10191	6.8
147.08115	7.2
149.06033	6.8
149.09689	25.4
155.08699	5.6
157.06577	6.7
165.05524	9.7
173.09720	30.3
191.10776	3.5
197.36427	2.2
198.69101	2.3
211.11223	3.7
213.12851	21.7
229.16023	4.0
231.13872	4.0
237.12852	2.4
239.14418	6.7
245.15469	11.1
249.04991	2.4
249.12704	3.1
253.15892	12.3
255.17526	3.6
257.15503	31.9
261.16501	6.7
263.14374	5.3
264.15182	23.5
271.20441	2.4
272.21075	3.0
279.17517	30.7
297.18549	47.0
298.19016	7.0
300.02649	4.6
315.05176	6.0
315.12616	3.3
315.19580	43.0
316.20010	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	315.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47230	0.5
53.06445	0.4
59.01379	2.8
61.98822	0.7
67.73830	0.5
69.06742	0.5
71.51845	0.7
79.05523	1.0
79.78841	0.5
81.03445	0.7
93.03479	0.7
99.04544	0.4
105.07103	8.6
106.04192	0.5
107.05028	3.9
108.02159	3.0
109.02948	1.4
113.04897	0.5
119.05038	2.1
121.06618	1.1
122.03757	0.5
123.04535	1.6
134.03743	4.8
137.06114	1.4
147.04529	13.9
148.04904	0.9
149.06081	100.0
150.03195	1.2
150.06393	4.3
165.04173	0.9
165.05566	15.4
166.05898	0.6
187.07651	0.9
300.02829	0.9
315.12589	0.9
315.19531	1.4
315.25409	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
58.64045	0.1
59.01377	37.2
60.01709	0.4
60.99304	0.3
64.80923	0.1
71.01388	0.9
71.05050	0.3
71.51104	0.2
71.51477	0.2
73.02943	1.9
83.05036	0.3
85.02949	0.3
95.05035	0.5
96.43418	0.2
97.06607	0.2
99.04543	0.3
109.06564	0.2
113.06071	0.2
129.05615	0.2
137.09700	0.9
139.11287	30.9
140.11630	1.2
155.10692	0.3
158.28914	0.2
163.11305	1.0
165.09196	1.0
169.12329	0.4
170.20644	0.2
181.12337	15.0
182.12683	0.8
183.10251	36.8
184.10585	2.0
197.11865	0.4
199.13380	4.4
200.13751	0.2
207.10260	0.2
213.32655	0.2
216.65804	0.1
225.11302	12.6
226.11639	0.6
243.12350	100.0
244.12697	5.8
244.15268	0.2
297.13354	0.3
315.14395	0.5
315.18146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.8
70.92846	0.9
71.51797	1.3
71.52162	1.5
72.99312	1.3
91.05538	1.3
93.03449	6.2
107.05068	1.2
119.05029	4.7
121.02952	1.3
123.04514	2.0
129.03461	5.5
131.05025	2.4
132.05807	1.1
133.06595	100.0
134.03737	6.0
134.06917	5.7
135.04501	7.6
143.07115	1.9
145.02979	5.4
146.03722	3.6
147.04514	27.3
149.06046	5.0
150.03192	11.3
163.04007	37.5
164.04797	38.6
165.04167	2.2
165.05568	44.7
166.05957	2.9
170.79947	1.1
177.01938	2.2
178.14288	1.0
190.21289	1.1
191.07089	1.9
221.08174	2.0
269.36984	1.0
300.02679	1.4
315.05002	1.3
315.14801	1.8
315.18341	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	315.1237
Annotation	Tupichinol B
Peak:m/z	Relative Intensity
53.46811	0.4
59.01374	2.2
65.03976	0.6
69.34859	2.5
69.35291	1.4
70.69978	0.5
71.01353	0.5
74.02472	1.5
78.02225	0.5
91.05541	4.1
93.03451	1.2
95.05005	0.6
98.20616	0.9
103.05527	1.9
105.03454	1.0
106.04247	5.2
107.05073	0.8
108.02180	1.7
109.02959	1.6
110.02417	0.4
115.17456	0.5
119.05027	2.0
121.02956	5.6
121.06647	0.6
122.03288	0.6
123.04572	0.9
134.03743	73.8
135.04538	48.9
136.04871	1.7
139.07820	0.5
139.11322	0.6
147.04526	19.5
148.04837	0.9
149.06078	100.0
150.06474	4.1
152.07132	0.6
153.09212	1.0
165.05574	20.0
166.05893	1.2
179.10846	0.5
183.10252	0.8
197.11836	5.3
241.10841	1.0
243.12337	1.5
285.11346	5.2
290.92117	0.5
297.11020	0.7
315.05072	1.1
315.12192	1.6
315.14877	1.1
316.21237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46492	1.1
56.68040	1.3
59.01374	5.3
60.59893	1.2
61.98802	1.1
71.52017	2.2
81.96351	1.0
86.28712	1.0
93.03433	1.1
106.04239	2.9
107.05038	9.0
108.02170	1.2
117.03458	1.2
119.05018	2.6
121.02925	2.1
123.04507	3.2
130.04228	1.3
131.05029	7.3
133.06555	2.7
134.03743	58.8
135.04547	35.1
139.11296	1.8
143.86003	1.1
149.06050	16.5
165.05585	8.7
166.06223	1.4
167.07117	1.6
183.10175	2.5
185.30249	1.1
195.08064	2.9
203.10913	1.1
216.93677	1.1
221.09700	1.8
225.11246	1.3
234.40907	1.0
237.09129	1.7
238.09941	3.2
239.10751	7.6
243.12318	4.3
249.09213	1.4
267.10257	100.0
268.10666	9.1
315.13071	1.4
315.18167	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	315.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21289	0.4
57.03447	0.6
59.01374	5.3
61.98824	0.6
63.02384	0.5
65.00312	0.8
69.29755	0.5
70.99014	0.4
71.01371	0.8
71.51879	0.7
72.99273	0.5
73.02982	0.5
80.02254	0.5
83.01412	0.8
87.04493	0.5
94.02970	0.4
107.01363	0.7
118.90890	0.6
122.03745	2.3
123.04523	10.8
124.01590	0.5
125.06087	0.6
130.04259	1.9
131.05060	4.2
135.04526	1.5
137.06079	5.7
137.09720	0.7
139.11259	2.5
142.01703	0.6
142.51801	0.6
149.06075	3.3
150.03221	58.9
151.00372	1.4
151.03522	2.6
155.10765	4.8
156.11113	2.2
165.05563	100.0
166.05942	3.7
169.12421	0.6
181.12279	1.3
183.10274	3.7
199.09781	1.7
225.11285	1.1
227.03677	0.6
243.12369	8.5
255.03043	0.8
258.04739	0.5
284.03223	1.2
285.04053	10.0
286.04330	10.1
287.04504	1.3
300.02628	0.8
314.59134	0.9
315.04999	0.9
315.12454	0.8
315.18250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.56653	0.7
59.01375	5.6
61.98835	2.1
62.79708	0.6
66.27772	0.7
67.01917	0.8
71.01373	3.8
71.47741	0.8
71.49899	1.0
72.99320	1.1
73.02950	1.3
75.00865	5.5
81.03460	1.7
85.02983	2.1
87.00961	1.1
88.04031	1.1
89.02415	0.8
93.03454	2.0
94.03000	3.2
95.01402	2.3
96.04553	0.9
101.02473	0.8
108.01575	0.7
108.02171	63.1
109.02956	71.5
110.02478	2.9
110.03315	2.2
111.83332	0.7
111.90210	0.7
115.00410	0.9
117.05583	14.0
119.01402	0.8
122.02454	5.5
123.00871	1.3
123.04539	1.2
125.02501	1.0
127.05180	0.8
129.10373	1.0
134.02400	0.9
135.00896	1.3
135.02991	5.8
135.04527	2.1
137.02385	3.8
138.01959	5.6
140.03555	1.8
145.06163	1.4
150.01988	0.8
151.04008	2.4
152.01151	45.4
153.01933	100.0
154.02260	2.6
154.05113	0.9
155.03458	1.0
162.01982	1.4
165.01942	2.3
166.01459	16.2
169.05049	1.2
174.01730	1.8
178.01439	1.3
180.03064	1.1
196.14633	1.2
198.04074	16.0
200.14079	1.2
206.00961	3.6
238.03619	3.7
315.07184	59.9
315.16632	3.6
315.52783	0.8
316.07452	4.2
316.14975	2.0
321.95798	0.7
322.58234	0.8
334.88055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.051
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
52.20732	0.4
59.01383	3.2
62.70509	0.3
63.02398	6.0
63.43064	0.4
65.00336	3.2
71.01377	0.5
71.07310	0.5
76.85248	0.4
83.01382	5.0
107.01391	11.2
108.02184	2.8
108.18414	0.3
111.00850	0.3
120.02134	0.5
123.00844	0.4
124.01649	1.8
135.00870	0.8
136.01660	1.1
148.01656	4.7
149.99586	1.9
151.00366	18.0
152.00969	0.7
153.54398	0.4
163.00345	3.6
164.01154	6.4
165.05586	0.6
169.01378	1.1
171.04420	0.4
173.93440	0.4
182.03578	0.5
183.04486	0.6
184.05148	0.4
189.01903	0.8
192.00587	0.6
199.03955	0.7
202.02681	0.9
211.03920	0.4
215.03465	1.1
216.04210	1.4
226.02719	0.5
227.03436	2.7
228.04225	0.8
243.02979	2.7
244.03696	0.7
255.02969	2.9
271.02441	4.5
272.03207	1.7
283.02545	3.2
299.01871	0.6
300.02731	79.7
301.03064	5.9
315.05087	100.0
316.05411	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	315.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65731	1.1
51.62421	1.2
55.01880	1.6
55.70808	1.2
57.03447	3.3
57.12603	1.1
59.01383	16.0
61.98825	9.3
68.99814	1.7
71.01380	37.0
72.99297	4.1
73.02956	2.1
75.00871	30.3
79.88490	1.2
83.01361	2.3
85.02953	8.1
87.00884	8.4
87.04436	1.3
89.02458	4.2
93.03457	45.5
97.02942	2.3
98.02474	1.6
98.47794	1.3
99.00874	15.8
100.26524	1.1
101.02452	1.7
103.00374	1.6
109.02988	1.5
111.00901	2.8
120.99648	2.8
122.97601	1.6
124.04071	1.3
129.01947	32.0
130.08760	2.0
131.03539	2.4
136.01672	4.0
137.02449	100.0
138.02780	3.4
141.01999	3.0
153.01881	2.5
159.02983	4.9
177.04037	40.4
179.03488	9.9
195.03281	2.4
195.05083	50.1
196.05580	1.6
196.66953	1.3
239.05634	5.6
271.84842	1.2
281.11533	3.3
281.24973	1.2
297.06161	3.0
298.14041	3.2
315.07220	66.4
315.10403	2.7
316.07480	4.4
316.15286	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	313.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21981	13.0
57.15928	13.2
59.01373	43.0
61.98820	37.1
65.71941	13.5
69.40598	100.0
84.01952	12.1
94.45036	11.4
98.19930	28.4
113.48898	13.1
185.00777	32.5
305.30136	15.2
313.16626	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2382
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.03445	1.4
59.01373	3.4
61.98831	1.4
70.75657	0.8
71.05028	2.1
71.47382	1.5
72.99327	0.9
85.06576	2.3
111.08155	1.0
113.09702	1.1
116.92931	1.0
121.02989	1.4
125.09681	1.1
141.73705	0.8
153.12869	0.9
155.10786	2.0
171.10223	2.6
171.24936	0.7
181.12231	1.0
199.13351	2.8
207.10175	1.2
221.50371	0.8
239.12729	1.4
287.92432	0.8
295.22733	7.0
311.22333	0.8
313.23825	100.0
314.24164	10.0
322.67361	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2748
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
52.95943	0.8
57.03449	8.7
58.66192	0.9
59.01378	1.0
61.38661	0.8
61.98822	1.2
69.03456	3.2
74.99075	2.0
79.64375	0.8
91.02229	5.6
98.19936	2.0
138.90788	0.9
145.96581	0.9
181.76868	0.8
185.00685	0.8
267.26913	45.7
268.27298	3.6
278.67322	0.9
295.26370	2.6
313.16959	6.1
313.27475	100.0
314.27835	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	313.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26987	0.3
59.01382	0.7
61.98830	100.0
62.98544	0.3
63.57291	0.4
69.23212	3.5
72.99325	0.9
88.73879	0.3
111.49564	0.4
128.60025	0.4
137.09694	0.5
155.08873	0.4
239.12949	1.3
285.04111	0.7
313.11859	0.5
313.16302	0.4
336.92889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1809
Annotation	12-Deoxy-6-hydroxy-6,7-dehydroroyleanone
Peak:m/z	Relative Intensity
58.75700	0.9
59.01353	3.9
60.71989	0.8
61.98814	0.8
68.21281	0.8
69.88038	4.1
72.99281	1.3
73.45145	1.0
75.62130	0.8
81.03450	2.0
87.04490	3.2
93.11452	0.7
94.73980	0.9
95.04993	1.0
97.06554	3.3
99.04474	1.1
107.05005	0.9
116.92803	0.9
121.02831	1.1
122.03735	5.2
135.08116	1.3
137.09708	1.2
159.08156	1.2
161.09648	1.5
173.09692	1.3
181.08667	2.8
187.11197	1.4
189.12840	42.5
190.13141	2.3
191.07104	13.7
192.07512	1.0
205.08688	35.3
206.09157	2.0
211.09602	1.2
239.12794	2.3
243.13736	1.0
253.09297	1.4
263.16373	2.9
269.19034	4.9
281.17542	7.9
285.18716	1.1
304.83972	0.9
313.17969	100.0
314.18283	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	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
56.63530	0.4
59.01375	1.7
61.98832	0.6
68.76380	0.3
69.35896	3.2
91.01847	0.4
96.66571	0.4
116.92889	0.4
121.02959	100.0
122.03297	3.2
149.02455	0.8
149.06030	0.6
164.04800	0.9
180.05792	1.1
181.06584	4.6
207.17317	0.4
225.05557	6.5
253.09183	0.6
312.22556	0.5
313.07184	17.8
313.23593	1.1
314.07562	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09158	0.4
53.20958	0.4
56.36466	0.5
56.79853	0.4
58.96048	0.5
59.01376	1.4
69.14444	2.0
69.14875	2.6
91.05520	0.6
93.03475	0.9
98.19861	1.0
106.04251	4.7
106.73267	0.4
107.05069	0.6
108.02150	0.8
119.05025	100.0
120.05354	3.7
121.06587	1.1
134.03737	55.0
135.04005	2.8
149.06071	82.8
150.06404	3.3
163.04004	77.4
164.04385	3.8
176.35274	0.5
239.12874	0.7
313.10919	0.6
339.35190	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57304	0.5
55.43503	0.5
59.01392	1.0
63.85786	0.5
68.73717	0.5
69.27067	3.2
69.27484	1.2
81.91888	0.5
86.27917	0.6
93.03474	2.1
106.04240	6.5
107.05035	1.5
108.02164	0.7
109.02959	0.8
117.03499	0.6
119.05027	100.0
119.75491	0.5
120.05368	3.9
121.02938	1.6
121.06599	1.1
123.04563	0.7
131.05049	1.6
134.03741	73.7
135.04121	2.7
142.30397	0.6
149.06075	97.9
150.06429	5.2
160.03056	0.5
161.02437	1.3
162.03229	17.2
163.04008	76.0
164.04361	3.3
206.78053	0.6
239.12996	1.0
257.29202	0.5
260.47104	0.6
270.86572	0.5
295.09708	1.0
313.10818	26.4
314.11078	3.4
323.54800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
62.52714	0.4
70.83874	0.8
71.01363	0.6
73.02921	0.4
79.95745	0.4
85.01168	1.2
89.98179	0.4
93.63960	0.4
97.02928	0.6
99.00896	1.2
101.02435	0.6
109.02943	2.8
119.05037	1.5
120.99655	100.0
121.99976	1.2
126.98614	0.7
127.35225	0.4
130.08717	0.4
135.04498	0.5
147.04521	1.4
151.02734	0.8
151.04005	4.4
165.03787	0.5
183.04912	0.6
191.03542	1.0
225.02260	8.1
253.09105	0.9
269.10168	0.5
271.11771	0.5
313.09628	1.0
313.12964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24454	0.6
59.01372	4.6
61.12853	0.6
61.98830	100.0
69.52820	1.1
69.53226	2.3
71.01414	1.1
96.96030	0.8
98.19932	1.3
103.00414	0.7
135.04524	4.4
137.02437	0.8
153.05640	0.9
163.38159	0.7
197.04626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98768	0.7
59.01373	3.9
59.78487	0.7
60.01712	0.7
61.98830	100.0
71.01379	1.4
71.50204	0.9
78.95939	0.7
87.00863	0.9
89.02480	0.8
96.96024	1.0
103.00381	2.1
123.04504	0.6
128.96483	0.6
133.05113	1.3
135.04547	1.2
162.92549	0.7
214.98865	0.9
221.08498	0.8
253.09521	1.0
312.06747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.7
61.98828	7.0
69.03446	3.6
71.52272	4.0
72.99318	4.4
80.93742	2.5
82.06636	5.2
83.01376	3.7
84.04543	5.1
94.06600	2.5
95.03772	7.5
95.54965	2.4
97.02951	3.5
98.02468	9.4
100.04082	3.1
107.08656	8.8
108.08202	4.9
111.08154	3.4
118.06697	2.6
122.06137	3.5
122.09734	4.0
123.03269	16.6
124.07682	37.9
134.06079	2.5
135.04451	3.6
136.04073	3.3
137.04825	5.4
137.09720	8.0
139.06374	3.1
139.07683	4.3
149.09680	3.2
150.12865	8.4
151.07616	27.8
152.07166	100.0
152.98563	2.5
153.07474	3.0
160.11284	3.5
162.12927	4.9
163.03949	2.7
165.09183	9.4
176.14403	3.5
186.12874	7.4
188.14449	41.7
189.14702	3.3
194.11902	22.3
206.11815	9.7
206.15521	4.5
220.13464	5.5
232.11223	4.3
232.13403	53.7
238.10922	12.5
238.14508	3.9
239.12848	8.2
250.10693	5.1
250.11723	3.7
250.14478	70.5
251.14824	4.1
265.68616	2.7
279.85092	2.7
282.13464	56.2
283.13925	7.9
294.13483	79.9
295.13867	4.0
312.14609	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21947	0.9
57.03464	1.1
59.01410	0.9
70.73768	1.1
70.74119	2.4
71.28179	1.1
83.05015	1.3
85.71426	0.9
85.76616	0.9
99.08174	2.9
101.86009	1.0
111.08171	1.0
113.09734	4.4
125.94897	1.0
127.07661	1.1
129.09212	8.6
151.11208	1.4
155.10802	1.1
165.90547	0.9
167.14392	1.0
169.12291	3.6
181.12375	5.5
183.13940	1.8
192.89865	0.9
193.12306	2.6
197.11827	15.5
198.12183	0.9
199.13374	7.1
211.13379	19.3
212.13684	2.1
237.82986	1.0
275.20203	1.5
292.26859	1.1
293.21265	18.7
294.21524	2.0
311.22272	100.0
312.22626	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.2
61.98830	100.0
70.91346	1.5
89.02469	0.9
91.58682	0.9
96.50377	0.9
96.96014	0.9
98.44527	0.8
101.02469	1.2
103.00372	1.1
131.05212	0.9
135.04514	1.3
144.13144	0.8
159.79346	0.8
161.04582	0.7
190.29716	1.1
228.05064	0.8
278.88968	0.9
293.81882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72720	0.7
76.13355	0.7
97.65868	0.7
113.09676	1.2
115.07681	1.1
127.07624	0.7
148.93289	0.6
167.14436	3.4
172.58183	0.6
183.13864	2.7
184.14030	0.6
195.13885	10.2
196.14227	0.7
211.13416	1.4
213.14923	1.2
265.21735	0.8
273.90375	0.7
275.20074	0.7
293.21243	6.9
294.21530	1.1
311.22256	100.0
312.22580	8.1
326.02850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37170	1.0
57.03446	1.7
59.01374	2.2
70.26376	3.6
99.08150	2.7
99.50815	1.0
110.33341	0.9
111.26733	1.0
113.09740	1.5
125.09724	1.4
127.11321	2.7
129.09189	6.2
139.11331	4.8
140.88783	1.0
157.24217	1.0
163.11266	1.1
169.12306	2.3
171.10278	22.2
181.12296	4.4
183.10245	1.8
183.13922	1.8
185.11826	3.1
193.12309	2.2
196.11191	1.1
197.11832	9.1
199.13403	3.1
201.11340	4.3
211.13377	16.6
244.77000	0.9
275.20157	1.8
293.21255	15.4
294.21329	1.4
311.22284	100.0
312.22662	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
57.30833	0.7
59.01377	1.2
59.07992	0.6
63.99454	0.6
69.24256	0.6
70.69751	1.7
71.05042	0.8
71.92669	0.6
75.50597	0.8
79.96955	0.7
89.17554	0.8
111.08150	0.8
113.09781	0.8
125.09747	2.9
127.11230	1.0
129.23436	0.7
139.11298	3.5
153.12865	1.4
163.11240	3.7
165.12863	1.0
168.11530	1.6
171.10258	6.5
181.32919	0.7
182.13094	1.2
197.11906	0.8
199.13344	0.7
201.11354	0.8
211.13380	2.6
249.22240	4.1
293.21207	74.0
294.21576	8.2
311.22247	100.0
312.22546	9.6
334.68384	0.8
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
59.01379	18.5
61.98821	3.5
70.42062	3.8
71.01355	1.7
74.45956	1.3
99.08168	1.7
113.09673	4.2
121.10253	3.6
125.09711	1.5
127.11290	1.9
129.09181	3.7
132.64592	1.4
137.09702	2.6
139.11279	25.2
171.10258	43.4
181.12306	3.8
183.01190	2.7
183.13940	1.8
185.11830	2.2
190.12335	1.8
191.12700	2.8
197.11787	3.6
199.13361	1.9
201.11301	13.3
211.13338	8.7
213.14978	2.8
251.11281	2.1
267.56870	1.4
275.20148	15.6
293.21219	34.6
294.21347	2.6
311.16718	6.2
311.22241	100.0
312.22607	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	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
56.35787	0.7
57.03431	1.5
58.88653	0.7
59.01376	7.3
61.98824	1.4
71.08691	1.2
79.45206	0.6
86.39770	0.6
92.85585	0.7
99.58996	0.8
177.32993	0.9
183.01193	3.5
197.02760	2.5
249.22218	44.0
250.22578	3.8
251.11302	1.5
267.23303	2.0
293.21216	21.2
294.21591	1.5
311.17068	13.7
311.22260	100.0
312.17316	1.1
312.22617	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
59.01382	2.8
71.22253	1.2
77.41251	0.5
84.46899	0.4
102.96349	0.4
104.44180	0.5
125.09706	1.7
136.07686	0.9
137.09721	0.8
139.11279	2.9
155.10773	6.2
164.10777	0.9
165.09148	0.7
167.36407	0.5
171.10210	0.7
183.10258	41.9
184.10603	1.9
190.11153	0.7
202.47272	0.6
205.13409	0.7
243.16631	0.5
243.33722	0.5
275.20157	0.6
293.21146	2.2
311.22266	100.0
312.22623	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	311.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30687	0.6
54.08782	0.6
55.01892	0.7
58.50122	0.7
59.01379	100.0
59.66235	0.7
60.01721	1.5
61.98820	4.5
63.73520	0.6
69.79977	3.3
71.01378	9.0
73.02950	3.6
76.60110	0.6
80.31349	0.7
83.01394	1.8
85.02930	4.4
87.00883	0.8
89.02454	3.0
89.37482	0.7
99.00896	2.0
101.02434	11.1
111.82440	0.7
113.02449	5.2
120.46291	0.7
149.04617	1.4
159.03049	1.0
161.04552	12.0
175.07602	1.2
180.05360	0.7
251.11340	27.6
252.11780	1.4
311.04468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1864
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
55.98614	0.4
56.89752	0.4
59.01380	2.3
60.41098	0.4
62.08452	0.4
70.26192	0.9
70.26580	0.9
71.01407	0.5
78.38425	0.5
78.74837	0.4
83.01495	0.4
83.25138	0.4
83.34272	0.5
93.17156	0.4
94.85917	0.4
95.76147	0.4
96.47554	0.4
97.06568	1.0
101.17309	0.5
111.08167	0.5
113.09664	0.6
121.02910	0.9
122.03740	0.7
136.05275	0.9
146.09836	0.5
148.78120	0.4
153.12852	0.7
157.08690	1.3
167.14397	1.9
171.10193	0.6
173.10822	1.4
191.11885	1.5
193.15950	0.8
207.17509	0.7
211.13336	0.6
216.71857	0.4
223.20663	2.0
231.17467	0.8
237.76614	0.4
249.18596	4.0
266.47342	0.4
267.19632	100.0
268.19955	7.4
275.16516	7.8
293.17575	39.9
293.20963	2.0
294.17758	3.2
311.18607	44.0
311.22211	10.0
312.18964	3.9
312.22476	0.9
323.30798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
59.01382	100.0
60.01731	1.2
61.98833	7.8
67.90137	0.8
69.91109	1.1
69.91508	2.4
71.01384	9.5
72.99260	0.9
73.02944	3.7
74.47668	0.8
75.48987	0.8
80.04774	0.7
83.01392	2.3
85.02956	3.6
87.00881	0.9
89.02447	4.8
92.89140	0.8
95.01411	1.0
96.96011	1.9
98.19997	1.5
99.00883	2.3
101.02456	8.8
103.00349	1.0
104.49527	0.7
109.02946	1.2
113.02446	3.9
135.04488	1.1
150.16273	0.8
159.02986	1.0
161.02457	1.0
161.04529	8.1
164.07181	1.1
172.98976	1.0
195.73608	0.8
226.20764	0.7
251.11371	19.5
311.04529	1.6
311.07816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77068	0.6
57.03433	1.7
59.01379	6.8
71.01377	2.5
71.51678	0.6
72.99308	2.4
73.02948	1.7
75.00871	27.2
85.02934	1.6
87.00856	5.0
89.02448	1.7
89.54718	0.6
99.00888	2.2
101.02433	1.3
105.01930	2.9
117.02045	0.6
117.03461	0.7
119.05025	28.6
120.05379	1.4
124.47499	0.5
127.67059	0.5
129.01941	4.7
131.03490	0.8
133.02945	0.6
134.03754	2.5
135.02974	2.0
135.04504	2.1
147.02971	6.9
149.04549	2.3
154.89766	0.6
161.02377	1.0
163.04007	36.0
164.04356	1.8
165.04034	100.0
166.04376	2.8
167.19296	0.6
171.57716	0.6
179.03459	1.5
179.10672	0.5
193.05058	2.4
221.04570	0.8
311.07712	5.1
311.10925	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69430	0.4
56.36507	0.4
59.01377	6.7
64.37440	0.4
69.38590	0.4
71.52369	0.5
106.04244	2.2
107.05063	0.5
108.02172	0.9
117.03456	1.7
119.47988	0.4
121.06586	0.5
123.04521	1.9
133.02957	8.8
134.03743	36.5
135.04044	1.1
149.06081	43.2
150.06465	2.1
161.02446	100.0
162.02768	4.6
192.95490	0.4
249.14877	0.6
311.09756	0.4
311.14941	0.7
311.25958	0.6
324.31125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0985
Annotation	Vicianose
Peak:m/z	Relative Intensity
55.01877	1.3
56.60383	0.5
57.03423	1.2
58.00585	2.4
59.01381	69.2
60.01723	0.8
61.98829	2.8
68.21395	0.5
69.26112	4.4
69.26521	0.9
71.01384	50.0
72.99312	2.1
73.02948	18.9
75.00896	0.6
81.03455	0.6
83.01366	2.6
83.84293	0.5
85.02950	5.2
86.03291	0.7
87.00884	1.5
89.02447	100.0
90.02777	1.4
95.01429	0.6
97.02966	2.5
98.20682	1.1
99.00884	39.7
101.02446	41.4
102.02742	0.7
104.14967	0.5
113.02453	5.9
115.03989	1.2
119.03508	2.2
119.05044	1.2
125.02463	3.0
126.54408	0.6
131.03505	14.2
133.02956	0.8
143.03526	2.8
148.05312	0.8
149.04567	39.5
149.06017	3.2
150.04938	0.9
150.80545	0.5
161.04562	2.9
163.04022	1.9
179.03506	0.7
191.05615	16.6
192.05991	0.9
221.06642	1.8
236.60582	0.6
311.22394	0.6
312.20483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75146	0.9
59.01382	9.2
61.98821	1.0
69.51077	2.1
69.51493	3.9
71.01384	2.9
72.99293	2.6
73.68534	1.1
75.00870	23.0
77.03962	4.8
79.01890	2.8
87.00842	1.1
89.02448	4.7
89.03962	2.9
93.03436	3.8
99.04559	0.9
101.02404	1.2
105.03452	1.5
107.01402	1.0
115.00388	1.3
117.01978	2.1
117.03465	24.0
118.03822	1.3
119.05074	4.5
121.02953	4.8
133.02979	1.2
134.03741	96.8
135.03006	86.8
135.04031	5.1
135.04581	2.7
136.03279	2.1
137.02411	1.3
140.36589	0.8
145.03009	1.1
149.02409	1.3
149.06073	5.9
150.38434	1.0
159.04543	2.3
160.01659	1.2
161.02391	5.3
163.03975	6.2
165.01907	2.7
173.06041	0.9
175.02521	1.9
183.04559	1.1
191.03426	1.0
193.05048	91.6
194.05354	3.4
197.06035	1.4
219.67439	0.9
239.07153	2.7
265.05042	1.2
267.07520	2.2
268.03693	4.1
281.04572	2.9
281.09048	1.1
282.05365	2.1
283.06110	58.8
284.06500	5.1
311.05585	100.0
311.11230	2.6
312.05862	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	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74823	0.7
52.03988	0.7
53.18264	0.7
54.67213	0.7
57.03450	0.9
59.01377	7.2
61.72923	0.6
61.98826	0.8
63.20844	0.8
69.16967	2.9
69.17387	4.8
71.01373	4.4
72.99309	2.1
73.02934	2.1
75.00874	3.3
80.24497	0.6
85.02953	1.3
87.00872	9.8
89.02428	1.1
90.17830	0.7
93.03468	1.7
98.20652	1.8
99.00867	3.7
101.02401	1.5
104.79472	0.8
105.01929	11.2
119.05026	72.9
120.05357	3.3
123.04508	0.8
129.01973	1.0
133.02969	1.6
134.03775	1.1
135.02983	1.1
135.04517	2.0
147.02972	3.3
148.04008	2.9
149.04388	4.3
151.04100	1.0
151.07634	1.7
155.01851	0.8
155.23279	0.8
161.02420	1.9
163.04005	100.0
164.04344	3.4
165.04036	62.9
166.04393	1.7
167.06995	0.8
179.03467	2.6
189.09277	0.9
193.05130	1.2
207.10219	2.8
213.78911	0.7
221.04509	0.8
251.05569	1.7
251.09441	1.1
256.96286	0.8
269.10339	3.1
311.07794	4.3
311.11481	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89508	0.7
57.03446	0.8
59.01382	10.1
59.09379	0.8
61.98831	0.9
65.08810	0.8
70.48421	0.7
70.79295	1.0
70.79623	1.5
71.01385	5.0
72.99308	1.9
73.02949	1.0
74.08501	0.8
75.00872	30.5
85.02958	3.0
87.00865	3.1
89.02448	1.7
90.88875	0.7
99.00881	1.8
101.02422	2.3
105.01913	0.9
107.05013	0.8
111.00942	0.8
113.72793	0.8
117.01911	1.0
119.05032	36.7
120.05336	1.0
122.82310	0.8
129.01955	5.8
133.02948	1.3
134.03714	2.3
135.04518	2.6
140.84334	0.7
145.02922	0.8
147.02989	7.4
161.02452	0.9
163.04015	48.6
164.04308	2.3
165.04042	100.0
166.04358	2.4
179.03491	2.1
179.07523	0.7
193.05006	2.0
196.21848	0.8
256.80161	0.8
311.07758	12.4
311.11169	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59596	1.1
57.03448	7.4
59.01381	6.0
69.03452	3.1
71.05014	3.4
71.51304	1.7
81.03432	1.3
83.05009	3.5
85.06598	3.2
87.04500	1.7
89.04562	0.9
89.79585	1.0
97.02945	4.5
97.06580	1.8
100.56183	1.1
109.06585	4.2
111.04520	2.0
111.08141	1.7
119.08665	1.5
125.09705	1.4
137.09698	3.4
171.10275	5.5
179.14398	3.2
181.12346	1.4
195.13910	16.0
196.14261	1.0
205.12392	1.2
209.11798	1.3
211.13425	1.6
217.16188	1.6
221.15466	17.5
222.15845	1.2
223.13370	9.1
223.16936	2.0
229.19553	1.3
229.81813	1.0
233.15436	2.9
239.16557	4.5
247.20570	2.7
251.16563	8.5
253.34088	0.9
273.18588	3.1
291.16248	1.5
291.19653	60.0
292.19919	6.6
309.20697	100.0
310.20996	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	310.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87220	2.3
59.01375	13.1
60.78813	1.7
61.98830	100.0
62.60910	1.8
70.05418	3.6
70.05826	5.9
70.91386	2.0
71.01371	3.0
80.73948	1.8
86.09319	1.9
87.00867	2.7
89.02450	3.7
98.20000	2.3
99.00851	2.1
101.02437	4.3
108.22693	1.9
117.01937	2.9
135.92133	9.4
149.04523	2.1
162.93980	15.2
166.92398	2.4
191.94609	2.4
208.93495	2.6
209.06711	2.7
286.54758	2.1
310.06845	12.9
319.71222	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	310.0932
Annotation	p-Glucosyloxymandelonitrile
Peak:m/z	Relative Intensity
54.17506	1.4
58.00601	2.3
59.01382	52.2
61.25146	1.3
61.98812	2.1
71.01012	2.4
71.01383	33.2
72.99314	2.3
73.02953	2.6
73.68723	1.8
75.00864	3.7
83.01394	3.0
85.02944	8.1
87.00892	6.6
89.02444	28.1
92.05055	6.3
95.01379	2.5
99.00865	2.4
101.02453	19.4
113.02437	10.3
118.02997	4.0
119.03519	11.2
119.05035	4.5
120.04544	9.4
129.23428	1.5
130.04266	1.5
131.03642	6.6
131.04999	6.1
132.04575	12.4
133.02975	2.2
134.06104	2.6
135.04515	3.3
144.04526	9.7
146.02477	54.3
146.06052	2.7
147.03273	57.8
148.04062	19.0
149.04521	2.4
149.06110	9.4
150.05490	1.6
158.06096	1.9
160.04041	77.6
161.02463	3.6
161.04369	3.5
162.05588	3.6
163.04051	7.5
165.04068	4.1
172.04039	5.9
174.05579	12.7
179.02271	8.8
179.05602	4.0
186.05579	2.7
190.05089	1.7
202.05092	22.8
203.03638	2.1
204.06729	1.9
214.05074	9.0
220.06209	1.8
232.06084	2.6
310.09320	100.0
311.09793	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	19.2
59.01389	16.5
60.80659	2.3
61.17438	2.4
64.07533	2.2
69.03469	2.7
71.01381	8.6
71.05983	4.2
73.02954	2.3
80.02673	2.3
83.05025	6.3
84.06922	2.3
95.05035	4.1
95.87468	2.1
97.06601	5.0
111.08183	10.8
113.09704	12.0
120.00893	2.1
125.09738	3.5
129.09204	5.1
136.75282	2.7
139.11295	2.6
144.60524	2.3
149.09653	5.6
151.07648	3.9
151.11272	37.0
153.12846	4.1
163.11252	7.0
165.12842	33.9
173.97182	2.4
179.10733	7.4
181.12347	39.9
182.12646	2.7
191.10765	15.0
197.11765	4.9
201.14139	2.1
209.11826	100.0
209.15352	7.3
210.12140	6.2
211.13417	6.6
223.45735	2.6
247.20627	9.0
263.20074	3.0
281.21317	6.4
291.19678	24.1
292.20026	2.9
304.28296	2.4
309.15289	10.1
309.17230	6.7
309.20389	19.2
319.75827	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.2
59.01380	8.6
67.01885	2.4
69.03447	1.7
71.05004	2.1
71.11199	1.6
71.11537	2.7
80.02675	11.9
81.03424	3.6
83.05021	24.9
84.02169	10.2
90.89712	1.2
95.05040	1.7
97.06577	4.8
99.08168	7.7
109.02959	1.4
109.06573	2.9
113.09705	3.4
115.07654	4.6
121.06589	1.3
123.04485	2.8
123.08110	2.0
125.09683	5.3
127.11259	4.3
137.09717	50.3
138.10072	2.9
139.11284	11.2
148.52379	1.4
151.03912	1.4
151.07652	4.6
151.11264	5.6
152.08418	3.1
153.09239	7.7
154.09923	1.7
155.10777	56.5
156.11092	2.8
163.11166	1.6
165.12885	2.3
167.10733	4.0
169.12305	2.1
171.10265	56.3
172.10663	2.1
179.14285	1.5
193.12323	28.8
209.11783	5.7
209.15398	5.8
211.13362	6.0
212.13602	1.4
247.20595	6.9
263.20105	4.3
265.19080	1.7
265.21686	12.1
281.08459	1.3
281.20993	1.7
291.19662	100.0
292.20062	8.0
309.15073	5.2
309.17194	6.7
309.20648	98.2
310.20996	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03443	3.6
58.06016	1.1
59.01369	5.2
62.81375	1.4
67.79501	1.2
68.78984	1.2
69.03448	1.7
78.26612	1.1
78.27190	1.3
80.02666	2.5
81.03434	2.4
83.01377	10.2
83.05033	5.8
95.05009	2.5
97.06573	4.8
98.03765	1.5
107.04971	1.4
123.04482	2.3
123.08128	3.9
125.06033	2.6
125.09717	11.6
127.11277	2.0
139.11292	14.1
149.09692	1.2
163.11276	9.5
165.12843	17.2
167.10733	5.2
171.10280	1.2
179.10756	1.5
181.12323	5.2
183.13875	3.3
189.12869	1.2
191.10753	3.9
193.15982	4.5
207.10182	3.1
209.11821	61.0
210.12112	5.6
247.20688	11.7
265.21713	5.0
273.18546	3.8
281.21124	2.3
291.19666	100.0
292.20041	9.7
309.15234	1.7
309.20700	42.7
310.21146	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06045	0.7
57.03430	1.3
59.01377	2.1
69.66772	4.0
83.38248	0.6
85.82027	0.7
97.06580	2.0
98.19902	0.7
111.08174	1.0
111.09819	0.7
113.09734	2.2
115.07651	1.2
125.06063	0.9
126.06908	0.9
139.11314	0.8
141.09193	2.4
150.46004	0.6
152.08424	0.8
156.30962	0.7
165.12885	4.7
167.14409	1.3
181.12360	3.9
183.13838	1.0
193.12296	1.5
195.13933	2.2
209.15343	0.8
211.13345	5.3
221.15509	1.2
240.13660	2.1
247.20850	3.6
252.10309	0.7
265.21741	0.8
273.18546	3.5
281.21243	1.8
291.19656	42.5
292.20074	5.0
309.20697	100.0
310.21021	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66710	3.4
69.67126	3.8
90.90450	1.0
93.92764	1.1
107.87059	1.2
111.08156	26.2
127.07632	2.9
151.11243	1.4
169.12349	7.0
181.12294	1.8
197.11832	100.0
198.12160	5.4
199.13379	5.3
211.13400	9.0
227.12846	3.0
227.16190	1.2
263.20120	6.0
265.18002	2.1
273.18585	2.0
291.19675	21.3
292.19946	1.9
309.20688	39.8
310.20923	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	309.2071
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.23761	0.8
55.02708	0.9
57.03429	1.4
62.85612	0.8
67.01871	1.8
71.42487	1.1
80.74837	0.8
81.85300	0.8
83.05061	1.0
88.28955	1.1
91.21581	0.9
95.04980	1.5
97.02966	0.9
97.06595	1.9
98.19752	0.9
101.86478	0.8
103.75999	0.9
111.08135	1.3
115.01988	0.9
121.10242	10.6
124.66892	1.0
125.09728	7.6
134.60098	0.9
137.09726	4.8
163.11307	1.2
165.94385	0.9
167.14366	1.5
171.10277	10.4
185.11816	10.7
195.13766	1.6
197.11818	3.3
209.11810	1.4
211.13391	64.7
212.13725	4.3
236.76349	1.1
247.20245	0.9
251.16289	1.4
273.18561	1.1
291.19653	100.0
292.19992	8.5
309.20590	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07534	1.5
58.00582	1.9
59.01378	5.7
59.18036	1.5
69.03460	4.7
71.01392	1.7
80.10098	1.6
81.25663	1.5
111.08161	3.6
112.04110	1.8
119.08662	13.6
121.06603	2.2
125.09721	6.7
127.11319	3.1
135.08167	2.8
137.09724	28.8
149.09660	1.7
151.07640	3.4
152.08398	3.1
155.10783	4.5
167.10712	2.6
171.10265	100.0
172.10547	4.1
183.10246	4.2
185.11801	21.8
197.11789	9.3
201.11342	6.9
209.15485	4.6
211.13402	5.8
213.11272	10.6
225.14833	2.3
247.20595	2.4
248.20103	3.2
251.16589	3.3
263.20178	2.2
273.18564	11.7
291.19656	41.9
292.20068	2.9
309.17038	10.4
309.20712	49.3
310.21100	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59908	0.9
57.03431	1.0
58.00583	1.1
59.01368	1.7
69.03458	1.1
69.95721	4.4
73.02935	1.2
82.66991	1.0
83.05024	1.2
92.61414	1.0
93.07131	1.2
109.06512	1.2
110.52155	1.0
111.08163	32.5
119.27776	1.0
127.07625	1.5
130.00620	0.9
137.09726	1.8
141.09244	1.2
153.12866	1.9
169.12335	8.9
171.10245	2.6
181.12320	2.0
193.12495	1.1
197.11823	100.0
198.12172	5.7
199.13362	3.2
209.15466	1.6
211.13376	9.5
223.17218	1.1
227.12933	4.5
233.15553	1.3
263.20071	4.8
265.18051	2.7
273.18649	2.6
291.19669	20.2
292.19763	1.1
309.20709	38.2
310.20987	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.98981	1.1
57.03449	18.4
59.01377	13.0
60.15458	1.0
61.98833	1.7
69.03458	4.1
70.78549	2.2
71.01382	14.3
71.05010	1.1
80.02691	2.0
81.03453	1.5
83.05019	6.1
88.81889	1.0
93.03517	1.0
95.05032	3.8
96.96002	2.0
97.06583	5.5
99.00893	1.6
101.02448	1.2
109.06606	1.2
111.08140	5.9
113.09734	11.1
123.08124	1.2
125.09706	2.8
127.11234	1.9
134.03711	1.3
139.11285	3.1
149.09700	3.4
151.03944	1.7
151.07625	3.0
151.11279	35.0
151.47714	1.2
152.08403	3.1
152.11584	1.5
153.12859	3.8
163.11249	3.7
165.12839	35.5
166.13182	1.5
167.10754	3.5
179.10789	11.6
179.14413	2.0
181.12341	46.5
182.12750	1.6
191.10780	18.6
192.11049	1.4
193.15959	1.8
195.10236	2.5
197.11818	2.9
209.11827	100.0
209.15399	6.6
210.12157	7.9
211.13422	6.9
214.18681	1.2
225.27058	1.2
247.20671	9.6
249.09715	1.4
263.20132	4.7
265.18347	1.4
265.21689	5.4
281.21249	7.1
291.19635	15.7
301.34308	1.2
309.15164	7.4
309.17245	6.0
309.20471	19.1
310.21194	1.7
329.08347	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1708
Annotation	Neobritannilactone A
Peak:m/z	Relative Intensity
53.66698	1.7
57.03458	10.6
59.01380	65.5
69.03452	6.4
69.20773	3.5
69.21180	13.2
71.01368	4.5
71.05025	9.1
73.02917	2.1
81.03442	1.8
83.05022	5.3
86.67400	1.6
89.34608	1.6
95.04990	2.2
97.02952	11.5
97.06586	16.1
98.19923	2.9
99.04523	14.8
101.02487	1.9
111.08121	4.9
119.05017	6.6
119.08703	8.4
121.10223	6.8
125.09722	6.9
135.11803	1.6
137.09724	25.1
149.09697	2.8
155.10817	2.3
167.10760	7.0
171.10277	18.5
181.69850	1.7
183.10277	14.2
183.13893	2.7
185.11807	6.4
191.10806	2.0
197.11862	8.1
203.17982	1.6
205.16005	3.9
211.13422	12.2
221.15421	3.9
237.14850	2.8
247.17064	10.2
249.14946	45.2
250.15253	3.2
251.16534	15.4
265.14401	10.3
265.17639	3.9
273.18613	4.0
291.16068	12.0
291.19626	45.4
292.16354	1.9
292.19904	3.9
309.17007	100.0
309.20697	74.6
310.17429	8.8
310.20987	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	309.0769
Annotation	Ocophyllal A
Peak:m/z	Relative Intensity
59.01390	1.3
69.60229	0.8
69.60644	0.4
69.75523	0.1
71.01376	0.2
72.58710	0.2
81.73583	0.2
83.05048	0.2
84.71262	0.2
86.65853	0.2
93.03459	1.7
98.19832	0.2
111.04537	0.7
113.01696	0.2
117.03518	0.7
119.05030	0.9
123.04518	0.4
125.06312	0.2
133.02959	3.5
133.03911	0.3
146.64919	0.2
147.04523	11.2
148.04868	0.4
161.02438	100.0
162.01428	0.2
162.02779	4.2
163.04031	0.2
163.87399	0.2
171.04492	0.2
187.03987	0.3
213.99666	0.2
215.03481	1.8
237.05563	0.3
250.62956	0.2
265.08643	0.3
272.69684	0.2
309.07654	5.9
309.17358	0.3
309.20792	0.4
310.08023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49979	0.4
59.01370	0.5
70.68104	0.7
71.01379	20.7
72.99297	2.5
87.00885	0.8
89.02441	1.5
89.03966	1.2
92.26655	0.4
115.00377	38.7
115.82288	0.4
116.00692	0.6
116.87981	0.4
117.03448	3.4
117.14680	0.4
119.05025	1.4
133.01436	92.4
134.03746	100.0
135.04073	4.3
137.02423	0.6
149.06085	4.9
163.04027	1.5
175.02458	0.8
177.12834	0.6
178.02751	0.7
193.05054	81.1
194.05388	4.6
270.56113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14741	0.7
69.58339	2.5
69.58769	3.0
71.01382	18.5
72.99283	0.9
89.03979	1.9
115.00371	17.7
117.03457	5.4
120.10223	0.8
126.90558	0.7
133.01431	39.6
134.03740	75.7
135.04085	2.6
137.02354	0.9
141.12732	0.7
149.06052	6.0
160.24306	0.9
178.02740	3.8
189.36606	0.9
193.05051	100.0
194.05388	3.4
214.89734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09818	1.0
65.01710	1.1
65.40341	1.1
70.76940	1.4
71.01382	21.5
71.09032	2.2
77.84171	1.0
79.20027	1.1
83.77366	1.1
89.02433	2.1
108.02136	1.4
115.00372	37.6
117.03449	4.9
133.01428	89.6
134.03743	100.0
135.04091	4.9
149.06075	4.8
178.02808	1.1
193.05048	87.6
194.05388	2.9
253.47368	1.2
307.73352	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.228
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01374	2.3
60.44983	0.5
61.46400	0.6
61.98832	0.8
63.83324	0.6
65.57183	0.5
68.88686	0.6
70.57652	1.2
70.57987	1.3
71.01383	3.7
78.78989	0.5
98.19956	0.7
103.04004	1.9
155.14702	0.6
157.05014	1.3
247.08214	1.2
307.22778	100.0
308.23138	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	308.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.4
60.01709	1.3
60.92193	0.3
61.98830	0.9
70.21645	1.1
71.01379	5.9
72.00903	0.6
80.40945	0.4
82.03004	0.6
84.04546	1.4
85.02938	0.9
87.00886	0.5
88.04040	28.3
88.91133	0.3
89.02423	0.7
89.04364	0.5
97.02985	0.6
100.04064	0.7
102.02753	0.4
109.02968	1.9
111.04481	0.8
113.02414	0.4
113.45763	0.4
114.01972	4.4
115.00372	10.5
116.00655	0.3
119.05008	1.6
127.05160	0.4
128.03543	1.1
130.12099	0.3
132.03027	100.0
133.03325	1.4
134.02727	0.7
134.03740	11.2
135.04541	6.0
136.07619	0.5
137.02437	1.3
143.04611	0.4
147.02956	0.4
149.06073	3.6
151.07626	1.0
152.07980	1.2
153.05624	0.8
154.06018	0.4
160.01674	1.3
161.02432	2.5
161.04570	0.4
175.03998	1.1
179.03505	3.5
192.06598	0.5
193.01378	1.0
193.05057	3.9
194.01720	0.7
196.06970	0.4
204.06686	0.7
204.10518	0.4
218.08218	0.3
220.09807	0.7
246.07796	0.6
248.09114	1.9
249.09805	0.4
264.08978	1.8
266.10257	1.7
272.04791	0.5
290.06711	0.4
308.07809	10.3
308.14087	2.6
309.06033	0.5
309.14139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.55720	3.4
57.03437	15.0
59.01373	14.4
59.01679	2.6
69.03459	5.2
69.49044	20.9
71.01382	18.3
71.05013	5.0
71.76841	2.9
73.21400	3.0
80.02694	5.5
83.05025	10.5
83.47736	3.9
95.05040	6.2
97.06593	28.7
98.20657	6.5
109.06609	7.5
111.08158	14.9
111.66574	3.4
123.04539	7.5
125.09732	7.2
135.08154	3.7
137.09720	4.6
137.61250	2.9
149.09709	4.4
151.11282	25.2
153.09106	3.6
153.12868	6.1
155.10776	14.2
162.68895	3.8
163.11275	6.6
165.12828	39.3
167.10759	6.2
169.12370	6.3
177.12860	3.5
177.88643	3.2
179.10730	12.6
181.12343	58.7
191.10724	19.3
191.14426	10.6
197.11743	4.8
205.12354	4.3
209.09904	6.6
209.11821	96.6
210.12167	9.0
211.13379	12.6
224.10678	4.4
239.09317	4.0
245.19095	44.2
263.20111	12.2
271.16937	5.8
279.19595	8.5
283.15219	3.5
289.18097	53.3
307.19141	100.0
308.19391	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	307.1915
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03433	3.8
59.01377	6.5
65.03953	4.6
69.03451	1.6
69.51569	2.9
69.51980	3.9
71.01369	5.1
71.05013	2.0
79.05509	1.2
80.02662	2.1
83.02840	0.9
83.05029	5.1
93.03463	20.9
93.07079	1.1
95.05035	1.1
97.06588	7.5
98.19930	1.1
99.08123	1.7
100.31409	0.9
103.04005	3.8
106.04221	3.1
107.05050	1.5
107.08666	1.0
108.05192	0.9
109.06597	1.9
110.90505	0.8
111.04512	3.2
111.08115	1.0
115.05522	1.1
117.07100	19.7
118.07504	1.2
118.29942	1.0
119.05009	3.0
119.07845	1.5
119.08665	27.2
120.05794	3.6
121.06556	3.8
125.08843	1.1
125.09732	15.5
133.06587	7.3
135.08162	100.0
136.08467	3.3
137.09717	1.9
151.76572	0.9
157.05057	2.6
171.10268	72.6
172.10638	1.9
185.11810	4.8
209.11821	9.8
211.13408	1.3
227.17941	1.6
233.15517	2.6
235.13516	2.5
245.19109	3.2
247.08060	1.5
249.14931	3.2
252.13681	1.2
261.18567	1.8
263.16519	1.4
271.16949	4.3
279.19659	5.0
289.18085	74.3
290.18481	6.8
307.19104	29.8
308.19385	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.6
59.01378	7.9
70.26276	10.5
83.01382	8.3
83.05009	4.0
95.05000	5.2
97.02969	3.8
97.06596	9.3
110.03710	3.0
119.29311	3.1
123.04527	12.0
123.08182	4.4
125.09713	18.7
135.08142	4.1
137.09761	11.5
149.06078	3.4
163.07631	3.5
163.11313	20.2
165.12845	4.0
166.97275	3.8
181.12314	4.8
185.11847	20.8
191.14461	17.8
207.10258	11.8
209.11847	55.3
218.48204	3.0
225.11345	9.5
245.19122	42.5
246.19492	6.0
271.16946	6.5
289.18091	100.0
290.18375	9.2
307.19141	57.0
308.19543	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	13.1
59.01361	10.5
64.63815	2.4
65.10303	2.5
69.03448	5.3
70.83059	5.6
71.01366	14.8
83.05022	7.2
95.05041	6.1
97.06596	21.7
109.06590	5.6
111.08151	12.5
123.08218	3.7
125.09711	6.0
127.11310	4.7
137.09737	4.2
149.09644	5.0
151.10263	3.2
151.11296	31.5
153.09277	3.8
153.12794	3.2
155.10712	8.4
163.11259	11.9
165.12836	37.7
166.13147	3.1
167.10709	6.7
169.12312	4.0
174.99173	2.9
177.12769	3.3
179.10762	9.3
181.12329	41.4
185.11838	2.7
191.10713	21.3
191.14400	6.2
205.12268	4.7
209.11813	100.0
209.13808	5.0
210.12177	3.4
211.13335	8.4
234.30736	3.0
245.19044	35.3
263.20123	11.8
271.16959	4.1
279.19647	7.3
289.18121	40.2
304.79977	2.9
307.19147	64.9
308.19598	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.05238	0.4
57.03439	0.4
58.39168	0.3
59.01379	2.9
59.32468	0.4
62.48877	0.4
62.81512	0.3
66.78368	0.4
69.03466	0.8
69.67484	1.6
69.67900	0.7
71.01366	2.3
71.05019	5.9
74.69974	0.4
80.02664	0.5
81.03459	2.5
83.05015	1.5
95.04985	1.9
97.02956	0.5
97.06633	0.5
98.03738	2.2
98.19968	0.6
103.03996	0.9
106.04221	1.1
107.05025	0.7
109.03031	0.4
109.06593	14.4
110.03699	0.5
111.04521	6.0
111.08160	1.8
112.05296	1.0
121.06596	0.5
121.10232	0.5
123.04527	0.9
123.08123	1.3
127.07668	3.7
135.08168	0.9
137.06088	1.2
137.09680	0.7
143.10741	1.9
145.06604	2.1
149.06096	0.8
149.09729	1.1
151.11241	0.6
167.10823	2.2
177.09238	0.5
177.12842	0.8
179.10783	1.8
181.12270	0.7
187.66170	0.4
191.14450	1.0
195.13890	4.2
235.13405	1.4
243.17506	0.4
245.19058	5.3
247.08220	0.7
249.15057	0.8
251.16470	1.3
259.57611	0.4
265.17850	0.5
271.16910	1.1
273.15103	0.7
287.16467	2.0
289.18085	100.0
290.18439	10.5
307.19107	9.3
308.19565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65596	2.9
57.03445	12.8
59.01374	32.3
60.65485	3.1
61.98821	4.9
69.03436	3.4
70.65124	3.3
71.01381	39.2
74.76306	3.0
76.21718	2.9
80.02679	4.4
83.01376	9.2
83.05016	4.8
95.05022	7.3
97.02956	7.6
97.06583	12.8
103.03997	17.0
106.53138	2.9
111.08128	4.1
117.68781	3.9
121.06586	7.9
123.04524	6.6
123.08080	5.3
125.09717	19.9
135.08202	4.6
137.09744	14.7
141.12883	3.8
149.06038	4.8
151.07639	3.6
151.11241	11.7
155.10857	4.8
157.05029	12.4
163.11273	24.6
165.12906	17.7
166.13182	3.2
171.10220	4.1
179.10762	6.8
181.12315	30.0
185.11769	20.6
191.10774	14.7
191.14435	18.0
205.97990	3.1
207.10220	8.6
209.11829	83.6
211.13457	8.2
225.11246	7.6
245.19083	50.4
246.19264	8.3
247.08177	5.3
249.14954	3.8
263.20120	7.4
271.17053	5.6
279.19693	6.6
289.18079	100.0
290.18399	10.4
307.19128	82.0
308.19296	7.6
328.28027	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	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	0.7
59.01379	100.0
60.01715	0.7
61.98821	0.7
62.14057	0.5
65.03974	0.8
69.74414	1.7
69.74826	0.8
71.01384	5.6
81.03459	0.5
85.02952	1.0
87.00887	0.6
88.04045	7.4
89.02444	4.8
93.03471	1.7
94.93196	0.4
97.02982	1.5
101.02478	2.2
103.04057	0.9
109.02959	7.0
111.04517	2.3
113.02467	1.5
114.02008	1.2
115.00381	3.0
119.03551	1.4
120.67284	0.5
120.99671	1.1
123.04527	0.7
123.08184	1.9
125.07253	0.7
127.05175	0.7
128.03578	0.8
132.03029	26.7
134.03740	2.7
135.04527	3.1
137.02438	6.1
139.04016	0.5
142.99785	0.6
145.08781	1.1
149.06102	0.7
151.07632	5.5
151.39030	0.5
152.08031	0.5
153.05600	4.6
165.05621	0.9
175.04144	0.6
179.03540	0.6
179.05623	0.7
180.03532	1.2
183.06668	1.0
193.01375	4.2
193.05145	1.1
195.06631	2.5
211.39659	0.5
219.10733	0.8
271.04688	2.0
301.62518	0.5
307.08685	2.8
307.14069	7.6
308.07858	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1551
Annotation	15-Acetoxyrudmollin
Peak:m/z	Relative Intensity
51.16447	1.0
57.03442	1.1
57.82546	1.0
59.01368	4.2
61.98843	1.1
66.01517	0.9
69.03453	1.8
70.99787	1.6
71.01392	3.7
83.46333	0.9
84.56567	1.0
85.10616	1.0
91.05554	1.1
93.07079	6.1
95.04984	1.1
97.02956	9.0
97.06579	1.8
103.04002	1.5
109.02985	1.1
111.08092	1.3
111.12923	0.9
119.05007	3.2
123.08127	1.5
125.09724	8.7
127.11288	1.0
135.04512	3.8
137.06084	34.6
137.09688	1.1
138.06453	1.3
147.11801	1.1
150.06871	1.3
157.05045	1.9
158.30003	1.0
164.04796	1.5
171.10262	4.2
174.66769	0.9
185.11821	3.7
197.11832	1.2
201.16533	2.2
209.11887	6.0
245.15440	5.0
247.13354	4.5
261.14975	1.8
263.16492	46.0
264.16827	3.3
279.79007	1.3
289.14496	5.0
289.17914	1.6
290.14886	1.2
307.15494	100.0
308.15878	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	307.13
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	31.1
59.01377	7.1
61.98809	2.3
63.10572	0.7
70.08889	1.5
70.09281	1.8
71.01381	5.3
74.02477	3.3
82.02985	0.7
83.06152	1.1
84.04535	6.2
88.04047	4.3
89.02424	1.0
93.03452	0.8
96.50443	0.6
97.02933	1.2
97.89466	0.6
101.02415	0.9
101.07201	11.4
103.00381	1.6
103.04031	0.9
106.04249	0.7
107.05020	0.7
109.02931	1.1
109.04041	3.3
110.13057	0.7
113.02444	1.0
115.00340	1.9
119.05027	19.5
123.08160	0.9
125.07205	36.3
126.05620	1.6
126.07558	1.3
127.05137	36.1
127.07618	0.9
128.03539	8.3
128.05496	0.9
131.07146	0.9
132.03020	13.4
134.03738	2.3
135.04472	1.7
136.07693	2.3
137.02429	1.0
143.08261	16.7
151.07634	5.3
170.04582	1.0
172.07547	0.8
178.08746	3.2
195.06573	2.4
204.10324	1.9
219.10767	1.0
221.12924	15.0
225.34827	0.6
228.69524	0.8
246.07695	1.0
247.10860	50.2
248.08887	1.1
248.11177	2.9
263.09497	0.9
263.14011	11.5
265.11905	29.4
289.11935	1.4
307.12994	100.0
308.07727	2.2
308.13397	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	307.1301
Annotation	PP242
Peak:m/z	Relative Intensity
51.10030	0.5
54.57465	0.5
58.02976	34.1
59.01385	5.2
59.79151	0.6
61.98817	0.7
66.03508	0.6
70.43496	0.5
71.01373	2.4
71.51210	0.6
73.01171	4.9
74.02471	2.7
82.02963	0.9
83.06158	1.3
84.04544	6.4
85.06586	1.6
97.02921	1.0
98.02488	1.0
98.06124	0.5
101.07206	10.5
103.00367	8.4
103.03992	0.6
106.04231	0.9
107.02465	0.7
107.05038	0.8
109.04073	4.2
116.03572	0.6
119.05028	19.6
120.05345	0.9
123.08093	0.5
125.07210	40.8
126.05664	1.3
126.07542	1.1
127.05140	35.0
128.03546	8.5
128.05490	0.5
131.07126	4.3
132.03014	3.3
136.07687	1.7
143.08269	17.4
151.07629	1.1
178.08728	2.0
179.03448	0.6
195.06561	0.6
204.10237	1.0
221.12970	14.4
222.13307	0.8
247.10864	52.6
248.11159	3.9
263.13992	10.8
264.14343	1.3
265.11905	28.9
266.12082	1.4
278.06934	0.6
289.11926	1.2
307.12982	100.0
308.07840	0.7
308.13364	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
59.96707	0.4
61.98826	0.3
69.63567	1.6
71.01386	2.2
74.99073	6.6
75.96203	0.3
85.44973	0.3
91.02202	2.5
93.00125	1.6
96.21542	0.3
103.04026	0.9
107.74047	0.2
135.78528	0.3
142.91331	0.2
143.05270	0.3
149.00992	2.2
151.41635	0.2
154.54027	0.3
157.05095	0.6
159.08463	7.2
161.06406	1.5
192.98093	0.9
206.99730	1.4
209.01289	2.1
217.07257	0.6
223.02827	49.2
224.02873	4.5
241.03799	0.4
247.08261	0.6
289.07401	1.7
291.09091	100.0
292.09229	12.4
307.12149	4.1
307.19287	0.4
308.12369	0.6
309.10141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76566	0.4
55.31965	0.4
57.03438	0.5
59.01383	6.7
63.84164	0.5
67.19496	0.5
71.01384	6.3
71.51705	0.5
73.55685	0.5
74.99115	0.6
79.95741	0.6
84.40777	0.5
85.02921	0.7
87.00879	3.2
87.71336	0.5
89.02450	0.6
97.02955	1.4
103.04028	2.7
120.99650	0.7
136.07652	0.5
155.10806	4.6
157.05045	2.1
159.65508	0.5
167.10808	6.7
183.10246	1.6
185.11830	53.4
186.12175	1.9
187.07697	0.8
193.05031	0.6
201.09500	1.7
201.12694	0.5
219.10591	85.4
220.10973	3.3
225.14977	1.4
225.17168	0.5
247.08224	1.7
263.12350	0.7
307.12204	100.0
308.12579	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	307.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17080	0.9
55.71627	0.8
58.02974	30.6
59.01378	22.1
61.98818	2.0
70.41422	2.7
71.01385	12.2
72.04534	1.1
72.99342	1.2
73.01157	3.1
74.02472	1.9
74.99075	1.3
75.00860	2.0
81.41599	0.9
82.03008	1.2
84.03401	0.9
84.04549	4.0
85.02994	1.2
85.06590	13.2
86.02473	0.9
89.02452	2.5
93.03461	2.6
96.95989	0.9
97.02959	1.3
98.02483	1.6
101.07189	10.4
103.00370	100.0
103.04000	2.9
104.00697	1.6
109.02966	9.7
109.04047	3.3
115.07667	1.9
119.05031	15.9
123.04528	1.1
125.07197	35.7
126.05608	2.6
126.07528	1.1
127.04200	0.8
127.05132	29.4
127.07645	2.5
128.03520	8.1
131.07135	44.2
132.03069	4.6
132.07521	1.1
135.04504	2.8
136.07675	1.1
136.99103	1.9
137.02434	5.2
143.08267	14.8
151.07692	1.8
153.05580	4.7
157.05087	1.4
159.06601	2.1
165.01961	1.0
165.05490	1.1
170.04474	1.2
172.07750	1.2
173.08160	2.8
175.02493	1.6
178.08717	1.7
179.03528	1.3
185.08089	1.9
193.01421	6.4
195.06613	1.1
204.10245	1.5
221.12947	12.9
228.15874	0.9
246.07637	1.2
247.08568	1.7
247.10863	48.7
248.11208	2.8
263.13922	8.8
265.11899	25.0
266.12262	1.4
271.04623	2.9
271.11005	1.1
289.11835	2.0
307.13025	90.6
308.07516	1.5
308.13278	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	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.5
70.36334	0.8
70.36691	1.0
71.01378	4.4
74.99068	5.6
84.51747	0.4
86.98172	0.4
88.21852	0.4
91.02206	2.1
93.00132	1.5
96.20957	0.4
103.03999	2.3
135.42671	0.4
143.05328	0.4
148.04961	0.4
149.00931	2.4
151.11249	0.5
154.94145	0.4
157.05046	1.7
159.08484	7.6
161.06374	1.4
192.98032	0.6
193.37436	0.4
206.99701	1.5
209.01230	2.7
217.07149	0.8
223.02827	46.5
224.02911	4.4
241.03796	0.7
247.08238	1.9
275.05914	0.6
289.07550	1.6
289.18210	0.5
291.09100	100.0
292.09213	11.4
307.12277	3.7
307.19278	0.5
308.12195	0.7
309.10248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
61.98828	100.0
62.98543	0.2
63.26366	0.1
71.01381	1.9
71.50291	0.2
75.16049	0.1
87.93434	0.2
94.95674	0.2
103.04030	0.9
111.75957	0.1
121.02950	0.5
148.93117	0.3
157.05061	0.7
159.94682	0.1
161.98904	1.0
162.98412	0.7
163.98631	0.4
164.96384	61.7
165.96466	3.3
203.18237	0.2
206.97440	23.9
207.97537	1.5
222.95412	0.2
247.08197	0.6
252.92139	0.2
252.94649	0.2
253.92468	0.2
264.96457	0.4
306.97534	22.2
307.22684	0.3
307.94342	0.3
307.97659	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	306.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14599	0.5
59.01373	3.6
61.98830	100.0
63.34087	0.4
65.35348	0.5
69.29775	4.6
70.18822	0.5
71.01395	1.3
73.39132	0.5
87.00949	0.5
98.19949	1.2
103.03985	0.7
105.12520	0.5
117.97924	0.5
139.11308	2.1
157.26532	0.6
181.12386	0.6
183.10229	3.3
183.61012	0.6
225.11476	0.7
243.09830	1.0
243.12352	18.5
244.12930	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56276	0.5
57.03449	0.6
59.01379	9.5
61.98832	10.4
66.08849	0.6
71.01392	4.0
71.51875	0.7
74.02454	1.0
85.02957	1.2
86.02467	3.2
89.35889	0.7
96.96002	15.3
99.92591	1.5
103.03997	1.3
112.98809	0.7
115.92087	4.4
118.06615	0.7
125.11689	0.5
128.03528	2.0
128.85019	0.6
130.05016	0.7
136.07693	0.7
143.04604	2.3
151.68044	0.6
155.10799	4.2
157.05046	0.8
167.10747	6.4
173.00903	1.3
174.01700	7.9
177.09547	1.7
183.10295	1.2
185.11816	44.5
186.12093	1.4
193.05016	1.6
201.09418	1.7
203.07088	0.6
203.19960	0.6
208.02702	0.6
209.49966	0.6
219.10580	100.0
220.10915	5.2
221.86592	0.6
227.12856	3.9
245.08165	1.1
247.08151	1.1
265.10959	0.8
271.08322	1.2
272.08823	0.9
306.13803	70.1
307.08588	14.6
307.14209	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	305.2486
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01370	1.1
61.98825	1.2
67.26244	0.7
68.99568	1.1
70.17112	0.8
71.32059	1.1
77.72002	0.7
77.75060	0.7
84.42104	0.7
112.98532	1.8
117.03379	0.7
118.14249	0.7
268.92206	0.8
305.24857	100.0
306.25165	10.3
321.44885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19492	0.3
61.98831	100.0
69.78919	1.9
69.79214	0.5
75.36328	0.4
77.86488	0.4
79.99734	0.4
112.30901	0.4
147.82643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
61.10814	0.4
61.98829	100.0
62.70651	0.4
63.96272	0.4
69.54050	1.2
69.54462	1.1
111.00880	1.3
112.08509	0.4
143.04625	0.5
143.21642	0.5
155.91150	0.6
157.90829	0.5
164.96390	1.1
171.88863	0.6
243.01091	0.6
307.08597	0.5
311.54846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65175	0.6
57.58569	0.5
59.01371	3.0
61.98830	100.0
64.82040	0.5
64.82394	0.6
70.07330	2.0
75.81819	0.5
96.40054	0.6
110.75449	0.6
121.70522	0.6
125.90349	0.6
135.04443	0.9
139.11313	2.1
181.12347	1.3
183.10226	3.4
243.12369	18.4
244.12633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
50.62485	1.3
57.03452	1.6
59.01373	5.8
61.98838	3.0
71.05015	29.9
81.03440	2.2
83.05056	1.7
93.03473	3.5
95.05023	15.6
97.06593	1.7
104.82218	1.3
106.04307	1.5
107.05028	2.2
109.06590	14.7
111.04498	2.5
119.04977	1.3
121.06593	4.5
122.03732	2.0
123.04557	2.1
125.09679	2.6
127.07665	1.5
135.08133	5.7
136.37366	1.3
147.04536	1.6
147.08159	2.9
149.06096	2.0
150.06931	1.5
155.58893	1.5
161.06068	3.2
165.09192	9.1
185.11845	2.1
189.12840	10.8
203.14371	1.9
205.15988	7.1
211.39577	1.6
231.13756	1.8
233.11761	6.5
243.17506	10.3
249.14914	10.7
261.18616	2.8
263.16504	2.1
269.15326	2.0
287.16528	64.8
288.16949	6.1
305.08154	3.3
305.17569	100.0
306.17859	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61253	0.3
51.99120	0.4
53.93460	0.3
59.01382	1.0
61.98829	100.0
64.01529	0.3
68.20177	0.3
68.99590	0.5
69.80457	0.8
69.80872	1.0
71.01386	1.0
73.02962	0.4
87.00875	2.8
100.44995	0.4
101.02477	0.7
103.00380	0.4
105.84698	0.3
110.52379	0.3
111.00896	1.5
111.02063	0.8
112.98545	0.6
115.00396	1.2
117.01977	0.9
119.03597	0.4
120.99691	0.4
133.01422	3.5
143.03500	0.6
143.04610	0.4
149.04575	0.5
178.33861	0.3
179.05646	0.4
200.00243	0.3
200.89490	0.5
228.97603	1.2
304.90491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21017	0.2
69.52898	1.4
74.02480	0.5
78.91144	0.2
79.95728	1.6
96.96011	100.0
97.95928	0.4
120.99664	0.3
160.06267	0.3
161.07240	0.5
165.17189	0.2
175.08699	0.2
178.89389	0.2
189.06728	0.5
217.08997	0.3
229.09819	0.3
261.31421	0.2
305.10626	40.1
306.10956	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	305.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44197	0.4
57.03439	0.7
57.52719	0.4
59.01364	1.8
61.98829	3.4
64.75678	0.4
69.03453	0.4
71.01379	6.7
71.51530	0.6
72.04545	0.4
73.02962	0.4
74.02461	0.5
74.99090	0.4
80.24303	0.4
82.02985	4.0
83.01382	0.4
85.02950	1.1
92.05059	0.6
94.02985	2.1
96.04555	4.5
96.96027	4.0
97.02936	0.5
98.95605	2.5
99.00893	0.5
99.04530	1.4
101.02449	1.1
110.02492	0.6
113.02461	0.6
115.03999	0.7
120.04562	1.3
122.03756	4.5
122.06122	1.7
136.04066	1.2
138.05612	100.0
139.05951	3.2
143.04623	0.5
145.03207	0.4
149.04834	0.5
150.05608	0.6
161.08195	4.5
164.03502	0.5
174.05612	0.8
178.08823	0.5
188.07204	0.9
190.08739	0.9
202.08752	1.0
216.10228	0.7
217.06250	0.8
217.09052	0.6
218.06984	2.8
218.11861	1.7
229.06133	0.7
231.35114	0.5
233.09320	3.9
244.09807	1.0
261.12460	11.1
261.15237	0.6
262.12753	0.8
287.10440	1.3
287.14063	1.9
305.11462	17.9
306.11752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21762	0.4
59.01384	1.1
61.98830	100.0
68.99571	1.1
69.57863	2.2
71.01389	1.5
72.99313	1.2
73.02964	0.7
80.91668	0.4
87.00884	4.1
89.02460	0.9
92.92812	0.7
94.92524	0.8
96.96016	0.5
101.02466	0.7
103.00404	0.5
111.00916	1.4
111.02026	0.5
112.98609	1.4
115.00378	1.8
117.01946	1.0
128.03537	0.9
133.01431	4.7
140.45404	0.4
143.03575	1.0
153.15775	0.4
154.91692	0.7
154.97569	0.8
156.91319	0.7
164.01614	0.5
166.97511	0.7
171.88866	0.6
179.05618	0.6
200.32579	0.5
200.89484	1.0
210.96484	0.5
222.23380	0.4
228.97575	2.6
253.92392	0.4
287.11609	0.5
303.64758	0.4
305.12604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
61.98831	100.0
65.37433	0.2
71.49159	0.2
112.62961	0.2
112.81213	0.2
117.02242	0.2
126.37127	0.2
148.99579	0.2
159.01517	0.2
160.01668	0.9
161.01183	1.1
161.98949	19.9
162.99059	1.2
203.02307	0.2
203.99979	4.3
205.00043	0.4
261.99149	0.5
272.00284	0.2
284.70251	0.2
299.38199	0.2
304.00046	15.9
305.00073	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75019	0.2
57.01466	0.2
58.02976	38.8
59.01385	0.3
59.03303	0.4
61.98845	0.4
66.62061	0.2
70.02985	0.4
71.08857	0.3
71.09197	0.4
71.66875	0.2
101.34694	0.2
151.11356	0.3
168.13933	100.0
169.14301	5.7
202.67017	0.2
212.12924	4.5
213.13281	0.3
267.11316	0.3
304.19168	1.1
307.35471	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1197
Annotation	2'-Deoxymugineic acid
Peak:m/z	Relative Intensity
55.01881	1.4
61.98828	18.0
62.45581	1.2
68.05051	2.0
69.58086	6.3
69.58493	2.5
71.01381	39.5
72.04542	3.3
72.99305	6.6
73.02953	4.1
78.95914	4.4
80.94006	1.3
82.02973	2.1
84.04554	3.2
85.07716	10.2
87.00879	27.6
92.92813	1.8
96.96972	5.1
99.00885	1.9
99.05647	7.5
99.20366	1.3
100.04046	26.0
102.94397	3.4
103.04014	1.4
103.92036	1.8
108.90221	1.8
110.89915	1.6
111.00859	2.5
111.05637	5.9
117.01930	5.2
118.05093	16.3
120.99664	2.1
122.06164	1.5
125.02471	3.2
129.00406	1.5
129.06665	3.5
133.01361	1.6
139.08794	3.0
140.07196	4.4
142.97546	2.2
154.91632	1.6
154.97510	3.9
157.09807	5.6
162.83917	1.7
166.97520	3.5
175.02493	2.6
176.00356	1.6
183.07732	15.7
187.10890	37.5
188.11215	2.4
198.89714	7.8
201.08795	15.6
201.98399	2.3
213.08829	14.5
215.14050	1.5
219.09834	3.0
223.10822	3.1
228.90776	1.8
228.97565	23.5
229.97980	2.3
241.11906	13.0
242.12135	1.7
259.12827	6.6
267.10037	1.5
285.10919	100.0
286.11359	6.9
302.90857	3.7
303.11957	26.9
304.12259	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	303.1449
Annotation	Urechitol B
Peak:m/z	Relative Intensity
53.66075	0.8
53.76636	0.8
57.03452	5.7
59.01377	100.0
60.01709	1.2
61.98824	6.5
71.01362	1.5
83.01395	5.6
83.05018	2.7
83.72070	0.8
87.04514	1.1
92.05061	2.0
93.07084	0.9
95.05040	1.6
96.96009	74.1
97.06568	2.6
99.04526	3.3
109.02956	1.2
109.06561	1.6
110.02476	2.3
111.08166	2.0
120.99654	1.6
121.02924	0.8
122.06132	1.6
123.08139	1.2
125.06062	2.2
127.04105	0.9
127.07681	1.0
130.52592	0.8
146.02399	1.9
148.04053	6.3
151.11244	2.1
153.09216	4.7
163.11279	5.2
165.09213	3.0
173.08170	1.1
181.12337	3.2
185.08150	1.1
195.10220	3.2
207.10266	3.1
213.11354	4.3
217.06131	1.1
223.13382	2.0
225.11304	25.0
226.11609	1.1
241.14456	1.7
243.12390	15.1
245.91254	1.2
255.12238	1.6
259.10770	1.2
267.12363	3.2
285.13516	11.8
303.09192	29.3
303.14465	99.5
304.09259	2.1
304.14783	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	91.1
63.24221	4.1
68.99805	4.5
69.48997	28.1
71.01385	31.5
72.99306	48.9
75.00870	21.5
79.05552	4.8
83.58472	5.0
89.02448	50.8
95.05035	4.0
96.96002	65.7
97.06590	16.1
99.00865	13.2
107.05006	6.4
111.08157	15.4
112.98809	12.2
117.01952	41.1
117.03481	11.8
119.05019	30.4
120.05367	15.0
121.02943	8.7
121.06602	12.0
123.04424	5.5
123.08169	5.0
124.98834	4.7
125.06086	10.5
125.09754	5.2
135.02989	12.6
135.04555	6.5
137.02412	6.9
139.07635	16.8
142.99858	89.0
144.82971	4.3
145.02951	18.4
146.03319	19.9
149.06070	19.7
153.05577	14.5
163.03987	16.6
164.04317	11.5
167.07141	36.7
167.46245	4.1
173.00906	21.9
174.01682	20.5
181.08731	15.3
193.05070	6.3
211.06110	4.5
213.11191	5.9
225.07677	37.0
243.12396	8.3
243.15987	20.9
303.09280	32.1
303.14502	4.8
303.17896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0874
Annotation	beta-Cotonefuran
Peak:m/z	Relative Intensity
59.01369	1.7
65.03963	3.9
67.01896	2.2
69.28743	5.1
80.02685	3.9
87.61510	0.6
91.01900	13.8
106.04240	6.2
107.05064	1.0
108.02173	13.3
108.25860	0.6
109.02962	17.1
110.03243	0.7
121.06607	0.8
134.03740	79.0
135.00883	72.3
135.04120	3.3
135.04930	0.6
136.01202	2.0
146.03285	0.8
149.06073	78.7
150.06372	3.8
152.01157	11.3
153.01930	60.8
154.02260	2.4
160.47391	0.6
208.13820	0.6
222.28783	0.7
259.14606	1.0
303.08734	100.0
304.09094	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	303.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98860	2.5
55.01894	2.9
55.92438	2.6
57.03439	15.0
59.01379	82.0
60.99283	3.1
61.98823	6.4
64.32072	2.7
69.03448	11.4
69.17120	26.8
71.01385	8.1
71.05022	6.8
73.02945	11.8
74.03236	2.8
81.03455	5.4
81.34353	2.6
83.05042	3.5
93.03419	4.1
95.05027	6.1
97.06579	7.5
99.92590	32.4
103.00414	3.2
107.05050	5.3
109.02943	4.6
111.04535	8.2
111.08190	2.9
115.03989	7.1
115.92081	23.7
116.92178	3.3
116.92872	25.1
117.03474	16.6
119.05032	68.0
120.05350	3.2
120.99644	12.2
121.02071	2.8
121.02934	3.6
125.06082	12.1
132.02245	4.0
133.06587	8.9
134.03703	17.9
135.08206	3.8
137.06053	4.9
145.02916	3.1
145.05025	2.9
151.07651	100.0
152.07921	2.8
163.04022	21.4
163.07664	8.3
181.08672	22.3
194.76958	2.7
215.95322	5.3
218.97531	5.8
220.43785	2.6
232.95511	6.6
234.97112	3.2
243.08723	8.5
243.12531	3.8
250.96480	6.0
261.16061	8.2
274.96457	9.0
285.13510	6.0
302.99655	5.7
303.05383	3.9
303.14499	42.0
304.14798	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	302.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.3
59.53262	0.3
61.98830	100.0
69.20639	1.3
69.21065	1.8
98.20623	0.6
117.03448	1.9
119.05025	6.1
121.02937	1.2
123.04533	0.6
137.09732	4.9
145.02959	3.7
154.47334	0.4
157.73410	0.4
162.03162	0.4
163.04002	2.8
239.12885	9.2
240.13158	0.7
302.17609	13.2
303.17896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01387	3.6
61.98818	0.9
66.03481	0.6
68.75932	0.4
69.03434	0.5
69.44012	3.2
69.44396	1.0
71.01379	0.9
72.99286	1.4
75.00865	1.6
89.02428	0.6
93.03481	1.1
95.05020	0.6
96.96008	15.8
97.02944	4.9
97.06544	0.6
98.03288	0.6
98.19950	0.6
103.24894	0.5
110.02478	35.8
111.02822	1.6
111.08144	1.3
112.98792	0.8
117.02651	1.0
117.03460	17.8
118.04253	2.0
119.05027	53.3
120.05340	1.9
121.02956	11.7
122.06071	0.7
123.04517	3.0
123.08128	0.7
124.01532	0.7
124.07684	1.3
133.02945	2.9
134.03755	1.0
136.07654	1.1
139.07632	2.0
142.99876	4.6
145.02951	36.4
146.03284	1.5
147.04489	1.5
149.02408	0.6
149.06094	1.0
162.03207	3.8
163.04007	24.8
164.04373	1.0
165.01927	16.8
166.02290	1.1
167.07152	3.1
167.10788	0.7
168.06572	1.7
173.00856	1.2
174.01706	1.2
185.11809	4.0
187.07661	0.8
188.07178	2.1
191.03514	11.8
192.03828	0.9
211.06088	0.9
213.07748	0.8
214.08778	0.6
215.07162	2.4
225.07756	0.6
243.05457	0.7
258.07629	1.5
302.06699	23.9
302.17587	100.0
303.09470	5.4
303.14188	2.6
303.17920	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	302.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71301	0.5
56.66011	0.4
59.01380	100.0
59.46320	0.4
60.01713	1.3
60.66923	0.3
60.72168	0.4
61.98829	4.0
71.01385	3.6
73.02956	1.2
83.01400	0.3
85.02950	1.2
89.02432	0.6
99.00893	0.4
101.02447	1.8
102.98623	0.9
113.02450	1.5
119.05017	0.6
120.99678	0.7
140.07179	68.0
141.07555	2.6
148.03946	0.4
161.04570	2.0
172.04367	0.9
197.10037	0.5
302.10214	0.6
302.17551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01717	0.7
62.09934	0.5
66.99909	0.5
68.01410	0.7
69.19260	4.2
69.19667	1.3
71.01380	7.6
73.02952	5.5
78.68722	0.5
83.01398	1.3
85.02972	1.8
89.02452	2.4
101.02419	4.2
102.98627	1.1
108.69697	0.5
110.02477	0.6
111.19492	0.5
113.01727	0.5
113.02477	2.2
113.31143	0.5
120.99568	0.6
126.19144	0.5
140.07167	0.5
161.04581	4.2
165.90352	0.6
182.12482	0.5
188.05608	0.7
197.10185	0.6
210.15224	0.5
253.79578	0.6
303.14572	0.8
310.69189	0.5
320.20227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2019
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03440	0.7
57.26719	0.6
58.00575	1.1
59.01381	5.1
61.98804	2.1
63.02382	0.8
65.00330	0.8
69.03442	0.7
71.52951	1.1
73.02922	1.1
83.01390	1.4
91.51987	0.6
93.03462	1.8
94.87842	0.7
95.05000	1.7
97.06588	12.8
99.08154	8.5
106.48233	0.7
107.01344	1.6
109.02885	0.7
109.06563	2.4
111.08167	1.8
113.09728	0.8
117.03456	1.0
119.04990	3.2
121.10200	0.7
122.10527	0.7
123.08159	0.8
123.75347	0.6
125.06074	3.1
125.09757	0.7
127.07616	2.9
127.11264	2.6
129.09193	2.4
137.06090	6.7
139.11249	5.7
143.07141	29.9
145.02922	1.9
149.06012	1.4
151.00354	4.3
151.03917	0.8
155.07140	5.6
155.10783	1.7
157.08730	0.8
163.00385	0.7
163.04025	1.4
169.08678	1.2
173.08206	8.6
178.99867	1.5
185.08116	0.7
185.11893	0.7
206.99332	1.0
210.44690	0.7
227.10693	1.1
245.04504	4.1
265.17999	2.5
273.03989	3.7
283.19095	2.6
287.10477	0.7
301.03351	1.5
301.20172	100.0
302.17496	5.1
302.20584	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	302.0669
Annotation	5,8-Dimethoxymaculine
Peak:m/z	Relative Intensity
51.58198	0.5
59.01376	1.0
66.03477	1.3
66.91888	0.6
68.17658	0.5
69.03484	1.3
69.59245	0.8
69.59648	2.4
72.31322	0.6
83.01387	0.7
93.03456	1.0
96.96009	17.0
97.02944	14.8
98.19939	0.7
99.92720	0.5
110.02478	100.0
111.02807	2.2
117.03454	7.1
119.05032	24.8
121.02954	8.8
123.04568	0.9
133.02933	0.8
136.07649	1.0
138.02002	0.7
139.07610	0.7
142.99896	1.6
145.02946	14.4
147.04500	2.7
159.08301	0.5
160.04045	1.7
161.32280	0.6
162.03209	1.7
163.03999	10.8
165.01930	44.4
166.02267	1.6
167.07242	0.6
168.06653	0.9
173.04799	0.8
174.05661	0.8
185.11848	2.4
187.07619	0.9
188.07114	4.9
191.03496	35.1
192.03831	1.4
200.04810	1.8
214.05086	0.8
214.08789	0.9
215.07126	7.1
225.08138	0.6
228.21826	0.6
230.08180	0.8
232.43054	0.6
242.04555	1.0
243.05373	1.2
258.07745	3.8
302.06686	60.3
302.17606	38.2
303.06699	3.1
303.09158	4.4
303.14325	2.3
303.17993	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	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
50.84754	0.1
59.01385	0.2
59.23214	0.2
60.97509	0.7
61.98830	0.4
69.79542	0.2
69.79935	0.5
74.99052	0.8
78.38318	0.1
84.40313	0.1
89.42045	0.1
93.00149	0.2
98.20541	0.3
118.96213	1.0
134.99394	5.2
135.99403	0.2
136.97324	1.5
141.07416	0.4
143.05312	1.1
145.02904	0.2
150.98894	0.4
151.00389	0.2
154.94901	0.1
159.08455	1.4
161.06389	5.3
178.99815	0.2
201.04100	0.5
203.05634	2.7
204.05914	0.2
205.03464	1.0
215.05640	0.8
217.07188	81.3
218.07324	6.4
235.08182	0.2
261.06171	0.8
273.04123	0.2
283.11957	0.4
285.13452	35.5
286.13611	3.2
301.16574	100.0
302.16809	11.8
302.21912	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2021
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03444	2.6
59.01368	4.0
65.00294	0.5
65.14022	0.6
69.03458	1.2
69.16511	5.8
70.15694	0.5
71.05029	0.8
80.59457	0.5
83.05016	1.9
84.02161	0.5
85.02948	1.1
93.03457	1.1
95.05019	1.6
97.02954	0.9
97.06594	7.2
98.19890	1.3
99.07558	1.0
99.08166	10.7
107.01401	0.9
109.06572	1.3
117.03439	0.9
119.05042	1.9
121.02983	0.8
123.00860	0.6
125.06082	1.1
127.11303	2.8
129.09213	1.6
137.09676	1.3
139.07608	0.9
139.11287	6.6
143.07159	7.1
145.02916	0.9
151.00362	2.3
152.01143	0.6
155.10789	5.2
157.08658	1.0
163.03941	0.9
165.09123	0.8
171.10292	0.9
183.10260	21.5
183.11873	1.1
184.10588	1.1
185.34908	0.6
201.11336	11.7
202.11584	0.7
233.15450	1.6
235.90306	0.6
245.04552	0.9
251.16379	0.7
257.04523	0.6
265.18042	1.6
273.03922	1.5
283.19098	0.9
301.03458	1.8
301.20187	100.0
302.17493	4.3
302.20599	7.3
302.72131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24873	1.3
53.54710	1.6
57.03442	1.5
59.01374	3.4
60.66243	1.5
61.98831	100.0
62.18526	1.3
70.10213	2.6
70.10587	4.9
70.94494	1.3
71.01351	3.3
73.02937	2.0
87.00877	1.4
89.02442	5.1
92.92800	5.2
93.71205	1.3
94.92513	1.8
98.19923	2.4
101.02479	3.1
103.04011	13.9
108.90186	2.1
110.02513	1.8
113.02434	1.7
119.03464	2.2
125.02403	2.3
126.01980	2.6
135.92125	2.2
139.03984	4.4
140.03506	5.2
146.86598	1.6
148.86322	5.3
150.86020	2.0
152.93628	7.9
153.92249	2.1
155.91098	2.6
157.90843	3.5
158.90932	1.7
170.50555	1.3
200.90460	3.6
201.22806	1.6
225.92630	3.1
236.27371	1.5
239.02779	2.2
242.64388	1.7
265.09152	6.3
265.98318	1.6
266.27429	1.5
301.06711	3.4
301.15121	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	301.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24873	1.3
53.54710	1.6
57.03442	1.5
59.01374	3.4
60.66243	1.5
61.98831	100.0
62.18526	1.3
70.10213	2.6
70.10587	4.9
70.94494	1.3
71.01351	3.3
73.02937	2.0
87.00877	1.4
89.02442	5.1
92.92800	5.2
93.71205	1.3
94.92513	1.8
98.19923	2.4
101.02479	3.1
103.04011	13.9
108.90186	2.1
110.02513	1.8
113.02434	1.7
119.03464	2.2
125.02403	2.3
126.01980	2.6
135.92125	2.2
139.03984	4.4
140.03506	5.2
146.86598	1.6
148.86322	5.3
150.86020	2.0
152.93628	7.9
153.92249	2.1
155.91098	2.6
157.90843	3.5
158.90932	1.7
170.50555	1.3
200.90460	3.6
201.22806	1.6
225.92630	3.1
236.27371	1.5
239.02779	2.2
242.64388	1.7
265.09152	6.3
265.98318	1.6
266.27429	1.5
301.06711	3.4
301.15121	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	300.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.3
68.88076	0.2
70.74866	0.4
81.03435	0.5
82.03011	0.2
83.01382	1.0
93.03432	0.4
93.07103	0.6
106.04244	34.8
107.04484	0.7
107.05037	1.2
108.02177	10.9
109.02520	0.2
114.68842	0.2
117.07124	0.3
119.05019	0.6
134.03729	1.7
135.04086	1.3
137.06082	12.3
138.03238	4.3
138.06407	0.4
149.06088	4.1
150.06432	3.3
151.07661	0.3
152.10826	0.5
162.09244	100.0
163.09589	4.8
166.40442	0.2
170.05893	0.2
180.10312	0.8
194.11917	0.3
256.17136	1.9
272.16522	0.7
285.03589	0.5
300.06073	0.5
300.16046	13.9
301.16345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0355
Annotation	HIERACIN
Peak:m/z	Relative Intensity
51.90526	0.3
54.93830	0.5
55.14651	0.4
59.01376	6.9
59.39984	0.4
63.02399	7.2
64.99969	0.7
65.00322	14.3
69.29755	1.5
69.30182	1.9
73.02964	0.9
83.01384	8.1
93.03455	4.9
94.03806	0.5
95.01395	0.6
98.19889	0.9
98.95584	0.6
106.06653	0.4
107.01389	23.1
108.04541	1.4
109.02975	2.8
111.00881	0.6
111.76195	0.4
119.05032	1.0
121.02954	19.1
122.03323	0.5
124.07713	0.6
125.02477	1.1
136.07654	4.0
137.02411	0.6
139.04008	1.9
145.02916	0.8
147.00903	0.5
149.02431	3.3
151.00365	64.8
152.00705	2.2
159.04558	1.1
161.02419	1.4
162.03162	0.5
163.00385	1.3
163.03969	1.2
164.01158	1.7
164.20526	0.5
169.01366	2.0
175.03947	0.6
178.99850	22.0
180.00192	1.2
183.04565	0.6
185.06062	0.5
187.04004	0.8
192.00755	0.8
193.01430	1.8
201.05598	0.6
211.04124	1.0
218.65027	0.5
227.03456	1.2
227.12801	1.5
229.05067	1.5
242.77463	0.5
243.02913	0.5
245.04572	2.2
255.02959	1.9
257.04507	1.4
257.12939	8.3
258.13315	0.6
273.04077	4.1
283.02344	0.8
283.15515	0.5
285.03851	0.5
301.03513	100.0
301.16525	1.7
301.20288	1.9
302.03809	7.8
302.17633	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	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79319	0.3
57.03452	0.3
58.00607	0.2
59.01376	7.0
60.01719	0.8
66.58186	0.3
68.01405	0.6
69.81200	1.2
71.01379	3.3
72.01719	0.9
72.99281	0.4
78.03491	0.4
85.02961	0.4
88.17080	0.3
89.02442	3.9
90.02774	1.1
91.56657	0.3
93.03484	0.3
95.05014	0.3
101.02444	2.0
102.02782	0.4
107.81463	0.2
109.06559	0.5
109.88775	0.2
113.02472	1.1
114.02760	0.3
119.03491	1.6
119.05031	1.1
120.03851	0.4
120.05374	1.0
122.02483	1.4
122.06120	0.4
123.03267	5.8
131.03493	0.3
137.02441	0.3
137.04834	0.7
138.05605	100.0
139.05945	3.1
152.07181	0.6
165.04309	2.1
167.05779	0.3
180.06682	1.9
216.66986	0.2
285.03671	0.5
300.07355	0.6
300.10870	9.6
301.11029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1863
Annotation	Achaetolide
Peak:m/z	Relative Intensity
57.03431	0.9
58.00585	1.4
59.01381	7.9
60.58313	0.4
61.98801	0.5
63.02377	0.9
69.03445	0.7
70.27213	1.6
71.01398	1.0
73.02946	1.3
80.05029	0.5
81.39854	0.5
83.05035	0.7
90.47028	0.4
95.04996	0.9
97.02916	0.5
97.06588	4.7
109.02926	1.2
109.06596	1.2
111.08160	7.4
121.10254	0.6
123.08160	0.7
125.06036	0.7
125.09734	5.2
127.07606	1.2
130.08798	0.6
131.05029	0.7
132.04507	0.6
133.02946	1.4
134.03745	1.4
135.08182	0.5
136.07684	0.6
138.05557	0.5
139.11270	1.4
141.09213	4.2
143.07095	1.0
147.11766	0.5
149.06087	3.1
149.09705	1.5
149.74196	0.5
151.07658	1.8
153.09206	3.7
155.10774	1.6
165.09244	0.8
169.08705	29.9
170.08955	0.7
171.04491	1.1
171.10294	4.7
183.04437	0.5
183.10254	7.7
187.03937	0.8
190.99800	0.6
193.08675	0.8
198.03087	0.6
199.04034	2.5
199.09747	0.7
200.04709	0.6
201.01956	0.8
201.11313	1.3
201.16463	0.6
215.03587	0.8
219.17487	0.8
225.11404	0.5
227.03506	1.1
240.04265	1.0
243.02890	1.7
255.02925	0.9
257.13733	0.7
263.16437	2.2
270.99722	1.0
271.02466	11.9
272.02713	1.5
281.17673	5.7
282.17862	0.6
283.02512	0.6
284.03259	11.2
285.03598	1.1
299.01993	17.7
299.05597	7.0
299.18631	100.0
300.02359	2.0
300.18951	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2592
Annotation	(R)-10-Hydroxystearate
Peak:m/z	Relative Intensity
53.25143	1.6
59.01372	5.0
60.53815	1.4
61.98828	2.9
66.68327	1.5
71.51285	1.9
99.92602	1.6
117.99892	1.4
137.02405	1.8
141.12830	1.8
149.05925	1.3
152.07088	1.7
174.99211	1.9
190.99757	1.9
199.03925	1.6
200.04814	1.6
217.00275	2.5
227.03494	3.1
228.04158	2.6
240.04211	7.6
255.02963	2.9
281.24857	3.2
283.02371	4.7
284.03247	63.3
285.03525	5.1
299.02255	1.5
299.05579	38.2
299.14893	3.8
299.20255	61.4
299.25836	100.0
300.06149	3.2
300.20459	6.5
300.26227	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	299.1865
Annotation	Achaetolide
Peak:m/z	Relative Intensity
54.56472	0.6
57.03446	1.7
58.00576	1.1
59.01377	8.3
65.52449	0.5
69.03446	2.2
71.01368	3.6
71.05013	1.1
71.51511	1.0
72.99303	0.9
73.02964	0.8
74.37136	0.7
75.04151	0.6
77.49335	0.7
81.03451	0.6
82.79458	0.6
83.01379	2.2
83.05027	2.3
84.50127	0.5
87.01709	0.6
94.39041	0.6
95.05015	4.0
97.06583	10.8
99.08189	1.9
107.05031	0.7
108.68085	0.6
109.06602	1.0
109.14861	0.6
109.89403	0.6
110.03733	2.5
111.04526	0.9
111.08138	3.3
113.06105	0.7
113.09719	1.1
119.08669	2.6
121.06602	3.9
121.10177	0.7
125.06084	1.7
125.09742	1.8
127.07590	0.9
129.09248	0.6
133.64467	0.6
134.03786	0.7
135.08156	1.2
137.06128	1.7
137.09729	7.9
139.07666	2.4
139.11317	0.6
143.07140	25.2
144.07445	0.9
147.08150	1.0
149.06041	1.2
149.08537	1.0
149.09720	17.1
151.07578	1.1
155.07097	1.8
155.10754	1.5
157.08691	7.5
158.46812	0.6
165.09335	1.4
165.85220	0.6
167.10762	1.1
169.08704	10.1
171.10237	0.8
173.08145	5.4
181.08690	4.5
183.10280	2.0
185.08249	1.0
190.99916	0.7
193.08696	1.8
193.59868	0.6
211.09752	4.2
219.17583	0.9
240.04326	1.1
250.38783	0.6
255.02907	1.0
263.16391	4.0
281.17551	6.6
282.17822	0.7
283.02673	0.8
284.03259	13.3
285.03607	1.4
299.02252	0.9
299.05627	7.5
299.18619	100.0
300.19003	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	299.1863
Annotation	Achaetolide
Peak:m/z	Relative Intensity
57.03455	2.2
59.01380	4.0
61.00934	0.5
62.80961	0.4
69.03447	1.5
69.78909	1.4
69.79311	0.7
71.01381	1.3
71.05013	0.8
72.99302	0.5
73.02945	0.6
81.03450	0.5
83.01379	0.5
83.05014	1.7
84.02157	0.7
85.02956	4.0
86.98483	0.4
93.03484	0.6
93.22353	0.3
93.49469	0.4
95.01386	0.5
95.05019	3.0
96.81259	0.4
97.02978	0.5
97.05977	0.7
97.06589	11.0
99.08163	4.2
103.04005	0.5
109.06554	0.9
110.03724	1.2
111.04520	0.6
111.08128	0.9
121.06601	1.0
123.08167	0.5
125.06069	0.7
127.11287	2.5
135.08122	0.7
137.09747	3.1
139.07666	1.0
139.11295	3.8
143.07133	9.9
143.08205	0.7
147.08180	0.8
149.09720	4.9
149.35342	0.5
153.09206	0.6
155.10782	5.7
157.08708	1.2
163.07684	0.4
165.09213	1.8
165.12740	0.4
169.08685	1.0
171.09985	0.4
174.30283	0.4
175.07692	0.4
181.08632	1.8
183.10255	21.9
184.10635	0.8
193.08641	2.1
199.09706	0.7
201.11337	12.8
202.11671	0.9
211.09740	1.2
219.17543	1.7
229.10764	0.5
263.16479	3.5
264.16742	0.5
281.17584	2.3
284.03311	3.1
299.05643	2.8
299.18628	100.0
300.18982	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	299.1499
Annotation	Ficusolide diacetate
Peak:m/z	Relative Intensity
57.03432	0.9
59.01379	21.2
61.98817	1.6
69.61224	3.2
73.02942	0.6
74.02440	0.7
83.05051	0.6
85.02957	3.6
87.00885	0.5
87.04492	0.6
98.19941	1.0
99.04552	0.7
101.06023	0.6
107.32552	0.5
109.06607	0.7
121.17540	0.6
123.08161	1.8
125.09684	0.7
137.09755	4.0
151.11278	1.2
153.09201	2.7
153.12863	0.9
163.11241	1.0
163.39709	0.6
165.12881	3.5
165.14078	0.8
167.14337	2.9
175.11272	0.7
178.62390	0.5
181.12349	7.8
182.12468	0.5
183.13928	0.6
193.12357	3.7
195.13919	5.2
206.72754	0.5
209.11850	1.1
211.13382	5.2
221.11867	3.1
225.11308	1.5
239.12863	9.3
240.12918	0.6
257.13931	100.0
258.14246	5.9
284.03256	4.3
299.05649	2.8
299.14972	13.2
300.15152	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.6
58.00587	0.7
59.01380	33.9
69.03448	1.3
69.16086	5.0
71.01365	1.2
71.04993	0.8
73.02947	3.0
83.05038	1.6
84.02166	0.5
84.08649	0.5
85.02969	3.2
95.01354	0.5
95.05042	2.4
97.02946	0.9
97.06588	7.6
99.08147	2.7
104.10136	0.5
109.06591	0.8
110.03711	1.1
111.08118	0.7
121.06577	1.0
127.07603	0.6
127.11275	1.7
135.08186	0.6
137.09727	2.3
139.07671	0.9
139.11252	2.8
143.07121	4.7
149.09726	3.0
155.10753	4.1
157.08704	1.5
164.18318	0.5
165.09143	0.8
165.12820	1.0
167.10699	0.7
168.26904	0.6
169.08740	0.7
175.41457	0.5
181.08694	1.6
181.12312	0.9
183.10251	17.3
184.10596	0.7
193.08728	2.8
193.10164	0.5
201.11305	11.2
207.10237	1.3
211.09625	1.3
219.17523	1.2
225.11264	3.0
239.16476	0.7
263.16461	2.4
271.02686	0.5
281.17493	2.5
284.03262	4.2
299.05692	3.0
299.18622	100.0
300.18961	8.9
311.26871	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19145	0.3
59.01379	1.1
59.49858	0.3
69.40427	0.7
69.40843	1.4
76.04668	0.3
78.05498	0.3
79.05556	0.3
79.39477	0.3
93.03484	0.4
99.23845	0.3
105.07090	2.8
106.04240	12.8
107.05032	2.0
108.02177	4.1
110.53922	0.3
110.71397	0.3
119.05046	0.6
121.02950	0.4
121.06610	1.0
123.04527	0.4
131.05034	0.3
133.02939	1.0
134.03743	51.9
135.04105	1.7
137.06073	3.0
138.03218	1.0
148.05304	0.8
149.06076	100.0
150.06429	3.8
162.09244	20.3
211.11113	0.3
256.17154	0.5
281.11752	0.3
284.03265	5.0
285.03629	0.3
299.05496	2.6
299.13025	1.6
299.18597	1.6
300.16058	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	299.129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
61.98838	0.5
68.99802	1.8
71.52307	0.3
73.02977	0.4
80.05058	2.6
80.75466	0.4
85.02959	0.4
97.06606	0.9
99.08186	0.5
101.06107	0.4
103.05527	0.7
104.05106	0.6
106.04240	3.6
107.05016	0.7
108.02187	0.9
119.05023	1.1
119.08641	0.4
121.06613	1.0
122.36062	0.3
130.04245	4.9
131.05037	15.8
132.04547	5.1
132.05376	0.4
133.02956	0.5
134.03740	51.1
135.04089	1.9
136.07680	3.2
136.74309	0.4
137.09735	1.9
138.05571	0.6
143.07143	5.6
148.05290	0.4
149.06076	100.0
150.05533	1.2
150.06586	3.0
151.00412	0.4
151.04004	0.9
169.08713	0.7
173.08124	0.7
181.12338	1.1
190.99730	0.4
199.03984	0.4
199.07629	0.4
200.04773	0.4
207.10254	1.1
217.00371	0.4
225.11292	0.8
227.03447	0.9
228.04283	0.5
240.04321	1.6
249.27505	0.5
255.02881	1.2
271.02444	1.6
281.12683	0.9
283.02356	1.1
284.03250	14.4
285.03552	1.0
299.01950	3.2
299.05573	10.1
299.09250	0.8
299.12735	0.5
299.15262	0.5
299.18558	6.1
299.25937	0.6
300.02530	0.6
300.05859	0.6
300.12320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1135
Annotation	Salidroside
Peak:m/z	Relative Intensity
55.01899	0.6
57.03433	0.9
58.00601	4.7
59.01379	100.0
60.01728	0.8
70.06464	0.6
71.01382	57.0
71.26070	0.7
71.65936	0.6
72.99321	3.8
73.02961	1.6
74.13812	0.6
78.26147	0.5
83.01389	2.6
83.93024	0.6
85.02951	10.3
87.00878	2.4
88.76023	0.6
89.02443	82.7
90.01905	0.7
95.01395	3.7
99.00890	0.7
101.02442	31.5
102.02797	1.0
113.02446	22.1
115.04033	0.7
119.03519	33.8
119.05017	40.4
120.05367	1.4
121.02946	1.3
123.03244	2.9
125.02452	0.8
131.03545	3.1
137.06056	3.1
138.05608	40.6
143.03465	3.0
149.04521	1.7
161.04562	3.0
165.04312	0.8
179.05586	4.5
186.97432	0.6
257.25336	0.8
274.96143	0.6
284.03183	1.7
299.05756	0.9
299.11362	7.0
300.10950	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69030	1.0
57.03437	1.5
59.01369	3.4
59.12958	1.2
61.98829	100.0
70.54205	2.4
71.01392	2.6
79.95717	1.5
83.01373	2.2
89.02470	2.7
92.92797	4.2
93.03455	24.1
110.89957	1.2
119.03497	1.2
121.94427	1.6
122.02489	1.5
125.02442	5.8
134.03732	10.3
135.04541	1.5
137.02443	22.9
146.86696	12.1
146.96629	1.7
148.86380	15.8
149.04546	2.2
150.86015	3.9
155.03551	2.7
155.91089	5.3
156.91139	2.5
157.90813	8.5
162.03217	3.3
162.83856	2.4
162.93716	1.3
179.05563	2.0
180.94055	2.2
197.90172	7.0
197.93019	3.1
198.90784	12.4
200.90433	2.7
215.00192	1.5
215.91328	1.6
222.95186	4.1
225.92654	4.1
226.01054	1.3
232.04427	1.1
236.00798	2.8
252.95720	4.4
263.07669	2.1
280.95380	2.3
284.03189	4.5
298.96283	13.0
299.05606	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	299.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79420	3.0
57.03433	3.1
59.01382	23.2
61.98828	24.1
70.50312	8.8
71.01381	10.7
85.02947	4.5
89.02456	16.4
93.03457	79.5
96.96009	3.8
100.19942	2.9
101.02438	9.3
103.00382	5.0
113.02428	6.8
119.03519	6.0
119.05017	4.3
122.02459	5.4
134.03723	3.5
134.04720	4.7
137.02449	100.0
138.02849	4.1
138.05559	3.4
146.86679	3.6
162.83929	32.2
167.02094	4.9
197.90216	20.6
217.00356	3.2
239.52124	2.7
240.04356	4.3
255.08714	3.2
263.11383	7.1
263.14209	3.4
284.03259	36.2
285.03714	4.3
292.03418	2.9
299.05490	25.6
299.08612	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	299.0561
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
51.45496	0.2
59.01359	0.3
59.97048	0.2
63.02402	1.3
63.36492	0.3
65.00323	0.6
69.90216	1.1
72.85236	0.2
75.93102	0.2
83.01350	0.6
98.20596	0.3
104.02663	0.3
107.01398	1.5
107.09555	0.2
122.20438	0.2
124.07355	0.3
125.02465	0.6
132.02150	1.1
133.02986	0.4
134.03716	0.9
148.01657	0.4
149.02428	0.3
151.00398	3.1
183.04439	0.6
187.03969	0.3
199.04019	0.3
200.04807	0.6
211.03995	1.0
227.03502	2.1
228.04164	0.5
239.03397	0.4
255.02925	1.2
256.03760	26.9
257.04120	2.1
283.02417	1.1
284.03250	100.0
285.03601	7.3
299.05597	75.2
299.18723	0.8
300.05936	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	299.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05458	0.6
54.64959	0.6
56.93719	0.7
57.03445	5.5
59.01376	18.8
59.46639	0.6
68.99827	1.1
69.03448	2.7
70.36932	1.3
70.37330	1.3
71.01381	35.9
72.01742	0.8
72.99307	4.1
75.00871	29.5
83.01388	1.1
85.02950	6.7
87.00881	6.8
89.02454	3.9
95.05034	1.8
97.02949	4.9
99.00880	19.2
101.02448	1.0
103.00379	1.3
111.00890	2.6
113.02460	1.2
115.03997	0.9
117.01961	1.0
121.02957	100.0
122.03278	3.5
129.01950	24.6
131.03491	3.1
135.04514	3.4
136.07695	1.1
141.01935	3.0
159.02954	5.1
177.04044	39.0
177.09210	1.3
178.04382	0.9
181.12396	1.0
185.91859	0.7
195.10298	4.0
195.13826	0.7
239.12863	1.9
257.13971	15.0
258.14233	1.2
263.05664	1.3
284.03204	4.1
299.07751	52.4
299.14868	2.1
300.08255	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	299.0773
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
59.01377	3.6
61.24643	0.3
61.77853	0.3
61.98822	0.5
69.99902	1.5
70.75813	0.3
71.01383	2.6
85.02952	1.3
89.02420	2.3
93.03459	84.4
93.09985	0.4
93.75166	0.3
94.03818	2.2
98.20692	0.4
101.02471	1.0
103.00352	2.3
104.00703	0.7
107.04967	0.5
119.03510	1.0
119.04973	0.6
121.02936	0.4
122.02461	1.3
123.02804	0.7
137.02446	100.0
138.02782	3.3
166.05107	0.4
167.02049	0.7
179.03520	0.6
215.56168	0.4
224.91573	0.4
240.04382	0.5
269.19363	0.4
283.02576	0.4
284.03195	3.7
299.05377	2.8
323.32697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01379	3.8
59.66975	0.5
61.98816	0.7
63.36972	0.5
69.41457	0.4
73.39249	0.6
79.95745	0.6
101.02462	0.5
103.08598	0.5
106.70789	0.4
117.97683	0.4
125.09727	0.8
127.11299	0.4
141.12871	1.5
155.10799	11.2
171.10274	2.2
183.01213	13.8
184.02039	1.2
189.78830	0.5
197.02802	1.0
216.00977	1.0
229.02161	0.5
237.09761	1.3
261.22070	0.4
263.88470	0.5
279.23279	14.9
280.23645	1.1
284.49390	0.5
295.22650	1.1
297.15314	35.0
297.24344	100.0
298.15591	3.1
298.24643	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	298.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89003	0.5
59.01383	14.5
61.63230	0.6
61.98827	0.8
65.11312	0.5
68.86408	0.6
69.30733	5.1
71.01394	5.4
72.99316	0.9
74.66659	0.5
75.00867	1.0
78.03476	3.6
83.64960	0.5
85.02980	0.7
88.04057	0.6
89.02457	2.6
93.03458	43.8
98.20650	1.1
101.02492	0.7
103.00375	100.0
104.00712	1.3
108.04548	0.8
119.03532	0.6
121.19976	0.6
122.02483	42.5
123.02841	0.9
132.38594	0.6
136.04037	16.9
137.02444	50.0
141.95474	0.6
147.04552	1.5
164.03535	2.2
164.07117	0.9
175.02480	2.3
194.01004	0.8
238.03592	1.1
284.03265	2.3
298.01746	2.8
298.05685	7.5
299.05560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77040	0.5
55.01868	0.7
57.03444	2.0
57.17958	0.5
59.01379	23.1
61.22211	0.6
69.03461	1.1
69.22546	2.5
69.22964	2.0
71.01385	2.3
72.99303	0.5
73.02940	1.8
75.00805	0.6
77.13671	0.5
82.89218	0.5
83.05033	0.7
85.02956	6.2
93.03426	0.6
96.96014	0.8
97.02975	0.9
97.06597	1.3
99.00867	5.3
103.00367	15.3
106.15653	0.6
111.00864	0.7
111.04515	1.1
119.04993	0.5
119.08637	1.2
121.02971	6.5
121.06563	0.5
123.08169	1.3
125.06055	0.6
133.01439	1.0
135.01863	0.9
135.04544	2.9
135.08154	2.0
137.09724	7.1
144.15129	0.5
149.09700	6.7
151.07666	1.4
153.09207	15.9
153.12880	1.4
154.09486	0.7
159.08142	0.6
163.11244	1.6
165.09198	1.7
165.12805	0.6
173.09698	0.6
175.11267	10.0
176.08469	1.1
177.09213	0.7
179.10674	1.0
181.12361	1.8
191.10774	8.5
193.12340	10.5
207.10278	0.6
209.11804	1.3
219.10274	1.0
225.79538	0.5
237.11360	7.7
255.12364	100.0
256.12732	5.6
263.22714	0.5
286.82867	0.6
297.07758	1.9
297.13382	16.7
297.24313	1.1
298.13773	2.0
313.62610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03448	1.8
59.01379	27.7
69.03458	0.5
71.01380	4.0
71.50728	0.4
71.78904	0.4
72.99316	1.0
73.02941	1.9
75.00845	0.6
83.05013	0.5
85.02949	7.9
89.02468	0.7
93.03460	0.8
96.96027	0.8
97.02929	0.8
97.06560	1.3
98.47983	0.4
99.00888	5.0
103.00372	32.9
104.00678	0.6
105.07116	0.5
107.05038	0.5
109.06579	1.3
109.55203	0.4
111.04533	0.6
116.75671	0.4
119.08652	1.3
120.05830	0.5
121.02952	15.1
121.06611	0.7
122.03280	0.6
123.08177	2.6
125.09760	0.7
133.06595	0.8
135.01871	0.5
135.04520	6.2
135.08133	2.1
137.06078	0.5
137.09727	6.4
149.09720	5.2
151.07637	1.6
151.11327	0.4
152.08270	0.4
153.09216	20.7
153.12828	1.4
154.09517	1.0
159.08179	1.1
163.03952	1.3
163.11278	2.1
164.89285	0.4
165.09232	1.9
165.12823	1.1
173.09691	1.2
175.11266	8.9
176.08415	0.6
176.11609	0.5
177.09236	0.9
181.12344	1.2
183.13913	0.6
191.10759	9.8
192.11002	0.5
193.12323	10.3
208.99211	0.4
209.11882	1.3
219.10255	1.1
236.81662	0.5
237.11345	8.3
238.11682	0.6
255.12363	100.0
256.12729	6.9
269.13956	0.4
297.06122	1.2
297.13416	16.4
297.24200	0.7
298.13742	1.0
311.42520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06887	1.2
59.01379	13.7
62.26161	1.1
65.87320	1.2
70.80602	1.1
71.51877	1.8
73.02958	1.6
73.73122	1.3
93.02953	1.8
93.03461	23.4
95.01411	1.2
98.82158	1.1
100.23406	1.2
103.05541	2.7
104.05048	1.9
108.02168	23.1
108.08161	5.5
119.05029	17.7
130.04242	20.6
131.05029	84.2
132.04498	3.4
132.05389	2.6
147.04517	100.0
148.04845	3.5
149.06073	61.0
150.06418	1.7
203.07141	7.7
209.16969	1.4
237.09795	2.9
253.13245	3.7
267.10196	2.0
279.10199	2.4
294.57373	1.3
297.11298	77.8
297.16913	3.2
297.24359	5.3
298.11539	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	297.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.1
61.98825	0.7
71.01373	1.5
71.52566	0.6
85.41753	0.6
104.05057	3.5
108.08199	5.3
117.34470	0.7
121.02973	0.9
121.05323	5.6
136.07683	96.7
136.66241	0.6
137.08012	2.9
148.04045	56.7
149.04361	2.3
149.06062	0.6
153.04314	2.7
160.04045	17.4
161.04683	1.9
186.77972	0.6
193.03775	1.4
211.13414	0.9
241.96135	0.6
255.15935	3.5
269.12921	14.3
270.13171	1.5
280.45532	0.5
297.12430	100.0
297.24066	3.6
298.12762	6.8
302.43741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.6
59.01376	20.2
65.10551	0.5
69.18699	4.3
71.01389	5.1
72.74332	0.6
72.99299	1.1
75.00864	1.1
77.03984	0.5
85.02937	3.0
89.02428	1.7
98.19921	1.0
103.00372	100.0
104.00710	1.3
113.02439	0.7
116.27843	0.5
121.02954	44.1
122.03345	1.6
125.06027	0.5
135.04527	15.2
137.09735	1.5
149.09709	1.7
150.23798	0.5
153.09212	4.9
160.62636	0.5
163.04007	2.2
165.09201	0.7
175.02544	0.8
175.11299	3.1
181.12340	0.6
191.10768	3.3
193.12326	2.4
208.99066	0.9
209.11926	0.6
237.11276	3.2
255.12363	29.4
256.12766	1.7
297.06180	4.1
297.13431	4.3
298.84009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	33.1
61.21424	1.1
71.01381	6.8
71.17150	1.0
71.51229	2.2
72.99300	1.2
73.02942	4.2
75.00859	1.3
83.01345	1.5
85.02934	2.7
96.96011	2.3
99.00889	3.6
103.00371	45.6
109.06567	1.7
119.08665	4.3
123.08144	1.6
135.02979	2.5
135.08162	2.6
137.09723	1.9
139.11226	1.5
151.07550	2.3
153.09224	19.1
153.12834	2.5
165.09196	4.3
175.11244	2.1
181.12329	3.1
193.12300	5.4
209.07489	1.4
219.10150	1.3
237.11319	5.8
243.12326	4.0
255.12363	100.0
256.12698	4.5
297.10153	2.2
297.13345	10.3
301.80078	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84354	1.3
53.15511	1.3
59.01376	12.2
61.98827	100.0
69.84267	5.1
71.01386	5.8
72.99313	4.4
73.02950	1.3
75.00870	5.5
85.02952	1.9
87.00874	4.4
88.12202	1.4
89.02437	5.9
89.97533	1.3
98.19984	2.3
101.02466	3.2
103.00383	5.1
103.92091	1.3
105.01923	4.0
115.00403	2.4
117.01944	2.7
119.03527	2.4
119.94736	1.9
119.97886	1.6
121.02946	2.9
121.56419	1.3
121.94401	2.2
122.89419	1.9
127.87009	2.0
129.01912	3.4
134.04726	4.9
135.95638	16.9
146.04634	2.2
146.86678	8.0
146.96620	4.1
148.86418	1.5
153.92252	2.0
157.86266	1.7
159.86028	1.7
164.96416	4.9
177.04047	1.8
179.90977	1.8
180.94098	13.2
181.05104	1.9
185.98911	6.9
191.94621	27.0
193.03482	3.0
195.05098	23.8
195.93329	5.5
198.90750	5.2
215.99971	2.6
220.95506	1.6
221.90227	2.2
222.06454	1.4
222.95230	3.2
223.89647	1.7
232.97261	5.5
233.95662	19.7
234.01030	9.2
237.09613	1.5
252.96136	1.7
278.99646	4.5
296.09103	3.7
296.98706	3.6
297.11819	2.2
319.33923	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	296.1503
Annotation	Solorinine
Peak:m/z	Relative Intensity
55.01870	4.8
57.03441	3.0
59.01385	11.9
69.03450	4.1
69.54457	1.5
70.02971	3.1
71.01354	1.8
71.52893	2.1
72.99279	2.5
73.02937	3.5
82.06618	9.9
86.29540	1.9
93.03471	2.3
96.04551	2.9
97.02939	15.7
98.02473	1.9
108.02181	2.1
119.05016	2.2
125.09695	2.2
128.07123	3.1
131.05029	2.4
147.04530	4.4
147.11946	2.0
149.06090	3.3
151.07726	2.0
153.09201	3.3
162.12871	2.3
164.14442	8.2
165.09189	5.0
181.12312	2.7
190.16016	5.9
191.03575	3.1
201.55388	1.7
208.13416	51.0
208.16876	3.7
209.13832	2.8
216.51250	1.8
216.85538	2.3
234.14975	8.2
237.09868	2.2
239.30650	2.0
252.12401	100.0
252.16081	15.7
253.12697	4.9
296.15051	61.5
297.11441	5.0
297.15192	3.9
297.24258	3.5
308.10052	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98188	0.3
57.03440	1.5
59.01383	4.4
61.98835	0.8
65.18983	0.4
87.69994	0.4
99.08137	0.6
111.13603	0.4
113.09763	2.5
115.00330	0.4
125.09614	0.4
129.09238	0.7
133.01457	1.2
147.95909	0.4
177.12845	0.5
179.14319	0.6
183.13937	3.6
195.13914	24.1
196.14273	1.5
233.22781	0.5
251.23682	0.6
255.39455	0.4
266.74875	0.4
277.21722	21.3
278.22037	1.7
293.21252	0.6
295.22781	100.0
296.23126	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	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
59.01364	3.0
64.50752	0.8
69.91583	3.8
76.44495	0.9
92.97006	0.9
98.19962	1.4
98.42043	0.8
125.09707	1.3
127.40636	1.2
130.71312	0.9
155.10776	1.7
162.47185	1.2
167.11783	0.9
171.10271	52.4
172.10605	2.6
183.10223	2.4
195.13919	1.9
196.34563	0.9
233.22771	1.5
259.20737	0.9
277.21719	59.5
278.22110	5.4
295.22787	100.0
296.23090	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86280	0.3
57.03434	1.3
58.58230	0.3
59.01381	3.2
61.13255	0.3
61.98819	0.6
67.93507	0.4
69.44103	2.0
69.44528	0.5
71.01382	0.4
79.17617	0.3
113.00863	0.4
113.02403	0.3
113.09740	4.2
115.00357	0.6
119.36341	0.3
130.27864	0.4
133.01418	1.3
151.03703	0.3
171.15347	0.3
179.14375	1.2
181.12422	0.8
205.54063	0.4
235.08134	0.5
277.21655	0.6
295.22772	100.0
296.23105	8.9
296.26309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.07344	0.6
56.92785	0.5
58.58265	0.5
59.01375	1.6
61.98818	0.6
66.00749	0.5
68.22958	0.5
69.31524	3.7
71.06542	0.5
91.29033	0.5
125.09743	0.7
140.54546	0.5
171.10274	26.1
172.10567	0.9
183.10254	3.0
190.35561	0.5
195.13910	5.0
205.57893	0.7
277.21707	38.1
278.22025	3.3
295.22769	100.0
296.23093	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	295.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43642	0.5
58.00566	0.6
59.01075	0.9
59.01379	22.1
70.79109	1.4
71.01381	23.8
72.99305	3.6
85.02957	2.2
87.00877	0.8
89.02445	9.8
93.03423	0.7
96.96017	6.5
101.02460	0.9
113.02473	1.5
115.00379	39.7
117.03471	12.0
119.05030	61.0
120.05383	1.8
121.02945	1.0
123.04510	0.7
132.05801	1.0
133.01433	100.0
133.06618	2.7
134.01723	2.6
134.03717	1.0
135.04530	16.7
145.02954	57.9
146.03296	2.1
159.04568	0.5
161.06055	5.6
163.04008	61.7
164.04347	3.3
173.06064	1.0
175.03790	0.6
177.05576	1.0
178.10838	0.5
179.03508	12.3
187.03990	3.6
191.07079	0.6
205.05040	8.5
206.05234	0.9
217.05148	1.1
235.06116	45.3
236.06387	2.6
237.29204	0.6
241.63368	0.5
295.04938	1.0
295.08276	7.3
295.11630	1.0
296.08508	0.9
296.11407	0.6
307.35925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53180	0.3
59.01378	7.5
61.98828	0.4
63.21349	0.3
63.39305	0.3
71.01372	0.8
71.52812	0.3
72.99312	1.3
77.27682	0.3
77.50148	0.4
91.96302	0.4
93.03468	2.7
115.00363	1.1
119.05034	2.7
130.72398	0.4
133.01454	3.0
134.89468	0.5
145.02908	0.4
147.04520	100.0
148.04849	4.6
163.04079	0.4
179.03479	0.4
196.81853	0.4
201.05579	2.4
212.67972	0.4
223.07634	0.4
232.67157	0.4
233.40204	0.4
234.26518	0.4
239.63330	0.4
295.09723	6.3
295.15588	0.8
295.19281	0.8
295.22736	1.1
296.10049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26134	0.6
53.76410	0.6
59.01379	100.0
60.01711	1.7
70.85547	1.6
71.01379	12.9
72.99306	3.1
89.02453	2.6
101.02449	0.6
102.27438	0.6
108.04408	0.6
113.02465	0.8
114.42786	0.6
115.00372	36.4
117.03502	0.8
119.05017	3.3
119.86901	0.6
133.01427	92.2
134.01790	2.2
134.03700	1.0
135.04518	14.3
145.02982	5.3
152.58948	0.6
161.04572	1.1
161.05981	0.9
163.03998	1.7
179.03485	9.9
187.04007	1.5
235.06160	0.9
235.11850	2.7
295.08191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01388	1.8
59.28025	0.3
69.49230	2.0
71.01403	0.3
74.49614	0.3
79.66265	0.3
80.70081	0.3
98.19894	0.4
133.01474	0.4
137.51402	0.3
243.86826	0.3
249.22327	0.5
265.21652	1.8
277.21698	3.5
278.22049	0.7
285.23734	0.3
293.21130	0.7
295.22775	100.0
296.23126	8.8
311.48444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03440	0.8
57.16330	0.2
59.01378	1.9
63.23336	0.2
67.52000	0.2
67.74600	0.3
70.30876	0.6
70.31275	0.5
71.01383	0.3
83.05023	0.3
97.06581	0.4
99.08130	0.4
104.93792	0.3
107.83679	0.3
113.09711	2.6
131.41197	0.3
139.46188	0.3
171.10300	0.4
177.12836	0.4
179.14360	1.2
181.12375	0.4
195.13892	16.6
196.14201	1.2
251.23761	0.3
277.21710	16.1
278.22018	1.7
295.22769	100.0
296.19702	0.6
296.23096	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0458
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
58.79453	0.5
59.01376	0.4
69.18520	3.0
69.18926	0.9
71.01379	12.6
71.27769	0.4
72.99307	2.5
80.21867	0.5
87.00871	1.0
89.02453	1.6
115.00375	35.8
133.01431	100.0
134.01788	1.8
134.03796	0.9
135.04524	11.6
179.03493	10.4
180.03819	1.0
191.35616	0.5
233.91753	0.5
258.56314	0.4
288.40054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	1.2
59.01376	30.0
61.76865	1.2
70.84277	2.0
70.84614	0.9
71.01382	19.3
72.99312	2.3
85.02960	2.0
89.02438	12.6
96.96012	3.8
101.02409	2.1
105.10574	1.1
113.02408	0.9
115.00368	17.2
117.03459	19.7
119.05027	100.0
120.05383	3.2
121.02877	1.2
133.01428	46.2
133.06601	5.5
134.03786	1.3
135.04529	8.1
145.02951	83.9
146.03285	2.5
150.61917	1.0
159.04497	1.8
161.06075	9.2
163.04008	95.5
164.04335	4.1
179.03508	7.1
187.04008	6.7
191.07190	1.3
205.05037	11.9
235.06036	71.4
236.06477	4.1
295.08435	10.8
295.11078	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.6
71.01379	12.7
72.99307	3.1
73.80032	0.5
87.00866	1.0
89.02448	2.2
91.43417	0.5
96.96075	0.5
98.20651	1.2
115.00373	36.4
117.03435	0.7
119.05027	3.6
133.01427	100.0
134.01793	2.1
134.03705	0.9
135.04530	10.9
145.02975	3.2
147.25304	0.6
163.04002	3.3
179.03493	10.6
235.06108	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	293.2122
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
57.03434	1.1
69.19370	4.9
96.95361	0.4
97.06593	1.2
98.20632	0.9
110.32812	0.5
121.10209	0.6
123.08162	1.2
125.09709	4.8
141.12852	2.0
149.09738	1.9
183.13834	0.7
185.11826	11.6
197.11800	2.4
220.18709	0.4
221.15364	0.5
223.13326	0.6
230.21846	0.5
249.22156	1.0
275.20102	0.9
293.21216	100.0
294.21570	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
59.01373	4.7
61.98829	3.6
68.99567	4.0
69.03463	0.8
69.54963	5.0
71.01369	1.8
71.05032	1.0
87.00894	1.2
91.81027	0.7
96.95974	1.1
112.98544	5.5
123.08179	1.4
136.08936	1.8
139.11288	1.0
145.02972	2.4
151.11273	2.1
163.03996	0.9
169.12334	2.8
177.09267	1.4
192.11531	1.8
193.15930	4.5
197.11823	29.7
198.12172	1.8
220.14688	5.7
221.15408	10.6
222.15730	1.0
231.21196	1.3
236.10544	7.9
249.18636	1.6
249.22092	0.9
257.19189	1.1
268.14664	0.8
275.20157	19.1
276.20508	2.1
293.06802	1.3
293.21204	100.0
294.21481	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	293.2123
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
57.03446	5.0
59.01377	7.6
59.22314	0.4
61.98816	1.7
69.03436	0.4
69.91128	0.7
69.91537	1.4
71.01373	1.4
85.06634	0.6
95.05018	0.4
96.96027	0.5
97.06600	0.9
98.19975	0.6
105.32663	0.4
111.77036	0.4
113.09726	19.6
114.10047	0.6
125.09709	0.6
139.11278	1.6
145.02919	0.9
149.09683	0.7
167.10765	2.0
177.12845	0.8
179.10789	2.7
185.11899	0.7
192.11757	0.6
195.13922	3.3
197.11853	0.5
205.12251	0.5
220.14644	6.0
221.15437	11.6
222.15799	0.8
233.10223	0.7
235.17017	0.5
236.10535	8.5
243.70660	0.5
249.18752	0.5
249.22202	2.6
275.20175	1.1
280.29208	0.5
293.21194	100.0
294.21561	7.8
303.19055	0.4
306.69070	0.5
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
57.03450	1.9
59.01365	3.0
70.17715	2.3
70.18105	2.4
71.05019	5.3
82.46832	1.3
87.04482	1.2
92.46775	1.4
102.07453	1.3
138.59349	1.4
138.91544	1.2
168.14273	1.2
209.15401	2.3
221.15508	1.6
223.17072	3.9
231.21169	3.5
235.17035	41.1
236.17351	2.2
275.20126	47.4
276.20477	3.4
293.21210	100.0
294.21573	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61646	0.6
57.03448	4.0
59.01360	2.3
68.09811	0.5
70.17632	1.3
70.18008	0.9
80.63144	0.5
92.29324	0.6
98.20528	0.6
113.09726	16.3
121.10217	4.0
139.11263	1.3
167.10709	2.5
171.10257	8.1
177.12828	0.7
179.10759	2.0
183.10301	0.7
195.13889	2.3
231.21077	0.8
249.22183	1.9
275.20148	13.3
275.23151	0.9
276.20471	0.9
293.21219	100.0
294.21570	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	1.0
59.01381	1.7
63.51459	1.0
64.52258	0.9
69.66092	0.9
71.08446	1.3
71.08775	1.8
77.58425	1.0
101.65140	0.9
107.68617	1.0
108.22350	0.9
123.55515	0.9
128.27080	1.0
174.62404	0.8
195.13876	10.9
196.14452	1.7
198.47108	1.0
223.13376	11.0
224.14085	1.5
228.13649	1.0
256.13068	4.7
275.20145	8.6
293.21216	100.0
294.21634	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77267	0.8
56.98532	1.0
57.03441	1.1
57.33250	0.9
59.01375	3.6
61.98832	2.6
64.05482	0.9
68.49451	1.2
70.25831	3.1
71.01375	2.6
86.52120	0.9
96.96004	1.6
100.14059	1.1
112.04027	2.3
112.63324	1.0
113.09724	4.8
121.10243	15.2
129.05536	1.2
136.08954	1.3
145.02959	1.9
171.10263	31.2
177.16623	1.1
185.11801	2.4
193.15939	3.7
195.13911	7.7
205.12421	1.3
220.14764	4.8
221.15427	12.7
223.13435	4.8
231.21158	1.6
236.10602	9.5
249.18526	1.6
249.22107	1.3
256.13123	1.5
275.20148	46.9
276.20563	2.5
276.23328	1.2
293.17749	4.5
293.21204	100.0
294.21548	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	293.1759
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
52.75363	0.2
62.58001	0.2
69.72504	1.2
71.01379	7.8
86.89273	0.2
104.24734	0.2
107.04998	0.2
115.60813	0.2
120.83493	0.2
127.07639	0.7
148.05276	1.0
151.07651	0.3
164.08417	1.2
177.09193	4.8
178.09610	0.2
190.10011	0.3
191.10901	0.2
192.11563	7.1
193.12103	0.6
201.62599	0.2
205.12328	6.8
206.12662	0.5
207.13892	1.0
217.08618	0.5
218.09450	2.0
220.14674	48.5
221.15446	100.0
222.15787	5.7
235.13454	1.0
236.10524	68.3
237.10934	4.1
253.14436	0.4
260.58282	0.2
293.17599	10.3
293.20990	0.4
294.17902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06597	1.0
53.93454	0.9
57.03430	1.2
59.01368	2.8
68.46996	1.0
71.00132	1.5
71.01350	1.1
106.93873	1.0
119.08662	1.0
119.84161	1.3
121.10235	40.4
125.09698	2.1
134.06114	1.1
171.10269	67.7
172.10571	2.1
177.16444	1.3
183.13976	5.3
185.11804	3.3
211.13310	1.3
231.21179	5.9
235.16919	2.7
236.10545	1.1
275.20139	100.0
276.20483	9.4
293.21225	71.2
294.21573	6.5
299.92801	1.1
306.08426	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0879
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01875	1.9
58.00602	3.2
59.01379	81.1
62.89249	1.0
66.08932	0.8
69.03445	8.8
69.23728	4.2
69.24160	3.9
71.01381	84.7
72.01727	1.5
72.99311	4.0
73.02945	11.0
75.00865	1.7
81.03457	6.2
83.01393	6.7
85.02937	8.5
87.00883	2.3
87.50320	0.8
89.02446	100.0
95.01397	1.9
97.02947	11.6
99.00877	13.6
99.04517	2.0
101.02441	11.9
111.00862	1.2
113.02444	7.7
115.03996	5.9
119.03534	1.0
121.52685	0.9
125.01519	2.1
125.02442	33.1
127.03917	1.1
131.03513	6.5
134.03772	1.1
143.03508	3.4
149.04539	6.3
151.07568	1.7
161.04536	1.6
164.68959	1.1
191.05603	3.8
210.39102	1.0
233.06625	20.5
293.08792	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	293.1144
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
57.03442	1.1
59.01378	22.3
67.01882	0.7
67.33735	0.6
69.03435	0.5
69.74780	2.1
69.75190	1.3
71.01380	11.1
71.82888	0.6
72.00908	0.6
73.02949	2.6
75.00879	1.0
83.01392	1.0
84.04562	1.1
85.02949	5.4
89.02441	9.8
91.05544	1.0
94.03008	0.7
95.05032	1.3
96.04543	1.8
97.02968	0.9
99.00879	3.4
101.02436	7.1
101.07204	1.5
108.04504	0.8
109.04041	1.1
110.06116	35.4
111.06499	0.8
112.04045	10.9
113.02487	3.4
113.03165	0.6
115.04016	1.2
116.01270	0.6
117.03471	3.3
119.03511	2.2
119.05038	3.9
120.04539	1.3
122.06119	1.8
123.03264	16.4
123.04102	1.2
124.04046	13.8
125.02402	1.2
127.05125	7.7
128.03497	0.7
129.10355	1.5
131.07143	1.1
132.03012	3.2
133.02943	2.4
135.04485	0.7
136.07686	14.5
136.08669	1.2
137.06094	1.9
138.05606	100.0
139.05940	3.0
140.07217	4.9
143.03473	1.0
145.02956	16.0
145.04137	0.8
146.03348	1.0
146.06139	1.1
147.02994	2.7
147.04517	4.2
149.04602	1.0
162.05553	0.9
163.03993	5.4
164.07152	9.6
177.01883	1.3
182.04607	4.0
183.05321	1.8
184.06134	20.1
185.06367	0.8
188.10767	1.8
190.05132	0.9
214.63898	0.7
216.09062	1.3
231.11363	10.8
232.09789	1.5
249.12436	1.6
275.10379	10.4
292.92096	0.9
293.06546	2.8
293.11691	21.0
293.15262	1.0
294.06564	0.6
294.12103	1.7
303.16473	0.6
306.95013	0.6
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
56.54862	0.3
57.03428	0.4
59.01372	2.8
61.98841	0.8
64.48730	0.5
64.88972	0.4
68.99556	0.8
70.99397	0.7
70.99709	0.6
71.01382	0.7
72.03224	0.4
73.39920	0.4
89.92514	0.5
105.60580	0.5
106.38876	0.5
112.98547	1.2
113.09737	1.2
119.92326	0.6
125.09715	1.3
135.97247	0.4
141.12889	0.5
145.02922	0.6
149.09709	0.9
156.13936	100.0
157.14308	4.0
174.09262	0.8
185.11821	3.0
197.11807	0.6
200.12933	5.1
220.14656	2.2
221.15453	4.8
236.10509	3.5
236.23987	0.4
243.60432	0.5
249.22238	0.5
264.44113	0.5
275.20282	0.6
292.09106	0.6
292.19916	5.2
293.17822	1.5
293.21210	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12828	0.4
59.01363	2.4
61.98830	100.0
62.97547	0.5
71.01365	0.7
71.49541	0.6
82.38777	0.4
89.02426	0.5
96.40933	0.4
102.48933	0.5
103.00374	8.2
103.98408	1.7
108.90195	1.6
111.00854	0.8
119.94771	0.5
119.97892	2.1
127.05162	0.5
128.97954	1.5
144.86967	6.7
145.06178	1.7
150.94699	2.1
160.01045	0.7
162.94795	0.5
164.96358	2.7
169.01054	0.7
174.98489	2.4
175.96950	0.7
176.00465	6.3
176.01892	0.6
185.00587	1.3
185.98949	2.2
191.96158	1.2
192.02274	0.5
192.95796	1.2
193.03545	5.5
200.99977	0.5
213.00026	58.6
214.00232	3.4
227.27347	0.5
229.97914	7.6
230.02672	19.1
231.01044	26.5
232.01172	1.4
258.06906	0.7
274.88007	2.7
275.01105	0.7
275.99573	1.1
285.58008	0.5
292.98926	1.1
293.02264	21.9
293.05569	0.8
294.02438	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	292.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	1.0
59.01377	2.7
61.98827	0.5
64.54491	0.4
70.41686	0.4
70.62046	0.8
73.24969	0.3
73.38950	0.4
73.64434	0.3
99.92608	0.3
110.97278	0.3
145.02985	0.4
156.13933	100.0
157.14284	3.5
157.24242	0.3
176.91666	0.4
200.12903	4.1
220.14751	2.0
221.15431	4.1
233.10297	0.7
236.10504	4.2
267.68100	0.4
292.19989	4.5
293.14575	0.4
293.17590	1.1
293.20929	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.17324	0.5
52.69688	0.5
53.67180	0.5
56.42013	0.4
59.01369	0.7
61.98834	2.4
62.80120	0.5
70.64871	1.0
73.02946	46.8
79.29860	0.5
85.02959	0.5
112.47251	0.5
115.92115	0.7
119.32665	0.6
121.02885	0.5
133.97139	0.6
146.99596	0.6
220.51888	0.5
235.52615	0.6
283.03302	0.5
291.19653	100.0
292.19989	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	292.0859
Annotation	TRIADIMEFON
Peak:m/z	Relative Intensity
59.01376	0.7
61.98843	0.4
68.02538	100.0
69.02254	0.6
69.02880	1.0
75.97890	0.3
89.60112	0.2
98.19907	0.8
107.06449	0.2
112.98549	0.2
126.99570	2.1
141.98192	0.2
145.02905	0.3
152.08286	1.2
161.67982	0.2
220.14662	0.8
221.15501	1.4
234.00844	0.4
236.10498	1.2
292.08658	0.8
292.19992	1.1
292.22916	0.2
293.17911	0.5
293.21268	0.7
295.67322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
52.52464	0.4
57.03441	1.7
59.01364	0.4
68.23681	0.4
69.03432	0.4
69.31327	3.7
72.29597	0.4
83.04976	0.4
93.07092	0.9
97.06578	1.2
98.19933	0.9
111.08170	0.6
121.09371	0.8
121.10231	12.9
123.08161	1.1
125.09709	7.2
130.18132	0.4
139.11270	0.5
141.12836	0.8
147.08186	0.6
160.14424	0.5
165.12845	0.5
185.11823	11.9
197.11777	2.3
209.11836	1.5
211.13293	1.5
223.13332	0.6
227.50323	0.5
247.13518	0.5
247.20766	0.5
273.18576	1.8
283.96179	0.5
291.19653	100.0
292.20044	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27206	0.5
55.31503	0.6
59.01374	1.9
61.53065	0.5
66.99033	0.6
70.99599	1.3
71.01392	0.6
71.05018	22.3
83.40613	0.7
92.44770	0.7
97.06590	6.7
98.20705	0.7
111.08141	1.5
125.09705	0.7
133.06511	1.1
181.12375	1.4
193.16002	0.7
195.13834	0.8
207.13889	2.7
219.13892	2.9
235.16992	3.5
247.20650	2.1
273.18585	2.0
291.19647	100.0
292.19962	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	291.1602
Annotation	7alpha-Hydroxypodocarp-8(14)-en-13-one-16-oic acid
Peak:m/z	Relative Intensity
59.01377	6.5
61.98832	2.0
67.71281	0.7
70.98833	0.8
70.99147	1.3
71.01370	1.2
73.68314	0.8
76.27206	0.7
82.85882	0.7
83.05013	1.0
93.03461	0.7
97.02945	0.8
108.02219	0.9
109.02992	0.8
110.51419	0.7
111.04523	1.3
115.92062	1.0
119.57622	0.7
121.02950	1.5
122.03728	2.3
138.47119	0.7
141.00345	0.7
149.09566	0.7
149.13329	1.3
156.04257	1.3
163.11375	0.9
165.12865	10.1
175.07646	1.4
175.15073	0.8
176.08401	5.5
191.10805	0.9
191.14212	0.7
203.18112	5.3
229.15994	1.6
232.22557	0.7
246.13319	0.7
247.17029	43.8
247.20708	4.3
248.17381	2.9
273.14932	6.9
273.18484	2.7
291.16016	100.0
291.19620	45.7
292.16339	8.8
292.19971	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	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01366	0.4
69.14508	1.0
69.14941	1.3
75.12877	0.2
75.31039	0.2
97.06601	0.5
99.39722	0.2
109.06615	0.3
125.06088	0.5
148.08958	1.1
149.09558	0.4
150.10500	1.3
151.11247	0.6
163.11237	0.8
165.12842	20.3
166.13181	1.0
175.11273	0.4
176.12056	0.6
177.12811	0.5
190.09962	0.2
191.14436	0.8
217.15953	0.6
243.44754	0.3
245.19101	0.4
247.20663	11.4
248.20970	0.8
273.18604	6.3
274.19012	0.5
291.19641	100.0
292.19974	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	291.135
Annotation	Antibiotic RK 441
Peak:m/z	Relative Intensity
58.02974	45.0
58.34453	0.9
59.01348	1.8
62.31570	0.6
64.50240	0.6
74.02477	3.5
82.02975	1.1
83.06132	1.1
84.04542	6.0
91.05513	6.1
95.81940	0.7
98.02486	1.3
98.06100	1.0
99.05618	1.9
101.07186	7.0
103.00364	0.7
109.04067	4.9
115.05142	0.7
125.03661	0.8
125.07205	48.6
126.05632	4.1
126.07533	1.1
126.90511	9.1
127.05132	49.4
128.03539	9.0
128.05492	1.4
135.04497	1.5
143.08257	30.4
144.08607	1.0
145.06140	0.7
177.95131	0.7
190.59052	0.7
203.11121	1.2
205.13458	5.9
223.11908	0.8
231.11368	51.1
232.11707	3.7
246.92426	0.9
249.12422	32.3
250.12779	2.1
261.30646	0.7
290.91644	4.4
291.13486	100.0
292.13855	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	289.1655
Annotation	oscr#14
Peak:m/z	Relative Intensity
50.48576	0.5
54.84210	0.5
57.03439	1.8
58.00598	3.0
58.04211	0.6
59.01377	16.7
61.98814	0.6
66.94550	0.5
69.03444	1.2
70.99524	1.1
70.99904	0.8
71.01383	9.3
71.05019	3.4
73.02947	8.1
81.03463	1.6
83.05021	6.3
85.02950	0.9
85.06595	1.3
95.05023	2.2
97.02923	3.0
97.06580	0.8
101.06068	4.0
109.02919	1.2
111.04529	2.8
111.08176	0.7
113.06091	4.9
113.09747	4.1
113.10419	0.8
115.04006	18.1
122.41987	0.5
123.04480	0.6
123.08142	1.0
125.02448	0.9
125.09726	1.6
127.04002	1.0
129.05579	8.0
140.70428	0.6
141.09267	1.1
143.10777	4.0
145.05060	8.0
155.10674	2.4
161.13354	4.1
171.10263	2.4
181.12387	0.6
184.07722	0.6
191.14442	1.2
201.02261	1.4
203.07126	0.7
209.15477	1.2
245.08278	0.5
253.14467	1.6
271.15497	11.5
272.15964	0.7
288.78247	0.5
289.07718	2.3
289.16559	100.0
290.06689	0.6
290.16797	6.8
308.12646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1809
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
58.02979	0.4
59.01380	2.1
61.98819	0.4
62.82998	0.2
69.29519	0.2
69.64754	1.0
71.01370	0.4
80.02665	0.9
81.03448	0.5
83.05018	0.6
93.03412	0.4
94.14924	0.2
95.05018	1.1
97.06570	0.2
102.68023	0.2
106.04240	1.3
107.05022	0.7
109.06598	9.3
111.08166	1.9
117.07101	0.3
119.05035	0.5
119.08665	0.3
120.05811	0.3
121.02982	1.8
121.06619	0.7
123.08183	2.3
125.09855	0.2
134.07446	0.2
135.08197	0.7
135.11821	0.3
137.09729	1.2
143.10797	1.8
145.05527	0.3
145.06598	3.2
147.08148	0.3
149.09731	1.8
151.11282	1.0
158.05716	0.2
159.08127	0.5
161.09688	0.2
163.11272	0.7
167.10776	2.2
168.13947	1.3
175.11263	0.2
177.09148	0.2
177.12845	0.2
179.10823	1.0
181.12364	0.7
191.14430	0.3
215.14400	0.3
217.15891	0.5
224.76028	0.2
229.15967	0.3
241.16058	0.2
243.17545	0.2
245.19099	5.3
246.19418	0.4
261.18613	0.4
271.17004	1.3
273.14951	0.8
274.31747	0.2
277.34042	0.2
287.16476	2.6
289.18082	100.0
290.18430	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67951	0.4
58.40570	0.3
59.01379	1.0
59.54326	0.3
59.54825	0.3
61.98830	100.0
67.48931	0.3
67.89500	0.3
68.95844	0.3
70.32182	0.7
71.56647	0.3
87.00887	0.8
98.42573	0.4
127.04032	0.6
206.18503	0.4
270.92294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.083
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
53.49699	5.8
58.02964	21.3
58.82705	5.3
59.01374	11.1
61.18641	5.2
70.02995	11.4
72.00926	8.9
74.02471	94.3
98.02467	26.4
111.47976	5.8
113.91203	5.6
116.03534	19.8
116.05079	35.4
142.06573	6.3
159.09361	10.1
183.43118	6.8
189.87711	6.3
203.08240	78.3
245.09288	100.0
246.09567	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	289.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68821	4.1
58.02960	16.0
59.01367	6.3
61.02757	4.3
61.98816	7.1
70.02983	8.8
71.04929	7.9
71.93036	4.3
72.00886	6.4
74.02471	68.2
98.02470	19.9
103.00365	17.5
106.53197	4.7
109.17681	4.0
116.03539	29.7
116.05044	22.6
118.82452	4.0
124.91820	4.0
151.21165	4.2
179.16588	3.9
195.89549	4.1
203.08252	66.1
237.46844	4.7
245.09309	100.0
246.09476	7.3
274.77045	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	289.1194
Annotation	Limazepine B2
Peak:m/z	Relative Intensity
50.69547	0.7
53.16724	0.5
55.27514	0.5
59.01471	1.6
71.01466	0.9
71.51569	0.7
73.03069	0.6
82.57182	0.5
82.91642	0.6
83.05110	0.7
85.03095	0.6
93.03591	0.6
101.55193	0.8
107.05118	0.7
108.04678	2.5
115.04161	1.0
122.06141	3.6
124.04148	1.4
134.06140	3.4
136.04179	2.6
136.07790	0.8
145.05232	0.6
150.05580	3.3
161.07310	0.6
161.99010	0.5
162.05722	1.1
164.07263	1.0
170.06252	0.8
172.07718	1.2
173.06210	0.8
175.05273	0.8
176.07272	0.6
177.01959	0.9
184.07753	2.9
185.08435	1.3
185.09845	3.6
185.11319	0.5
198.09331	0.9
199.08830	2.4
200.10756	3.4
212.05872	8.6
213.06586	8.0
214.07434	1.3
215.08263	2.4
216.10245	0.9
217.01413	0.6
227.05942	0.8
227.06328	0.4
227.08257	29.4
228.08905	40.9
229.09647	7.1
241.10010	1.4
242.06927	0.8
242.10507	1.4
243.11366	8.8
244.08603	0.9
253.09943	0.9
256.08533	2.4
259.10733	2.9
271.10870	100.0
272.11237	5.8
289.03766	1.2
289.07208	2.3
289.11935	29.8
289.16455	5.0
290.06659	0.6
290.12244	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	287.1501
Annotation	Crispine C
Peak:m/z	Relative Intensity
57.03465	1.1
59.01379	32.3
59.93918	0.6
61.75370	0.8
69.03481	0.8
69.29779	3.1
69.30204	2.9
83.01385	1.1
91.79027	0.6
96.96014	0.7
111.08128	1.3
119.04916	0.9
145.03011	0.8
148.07677	0.9
151.11263	2.7
165.12851	20.5
169.12344	17.3
181.12328	1.5
183.13890	99.5
184.14215	5.3
195.10205	0.9
199.13382	26.1
200.13786	1.4
209.11794	2.3
213.11304	2.8
213.27823	0.8
227.12874	57.8
228.13206	2.7
243.11368	5.8
245.13921	100.0
246.14265	4.9
268.40036	0.8
287.04639	3.5
287.10498	4.2
287.14978	33.6
288.15555	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	287.1652
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
50.69278	1.0
52.17044	1.1
59.01377	7.0
61.98827	3.3
86.37788	1.1
94.57839	1.1
97.06590	1.3
99.92574	3.3
102.04734	3.5
111.78255	1.7
112.98571	2.3
115.05542	3.1
116.92853	2.6
117.07109	98.7
118.07446	4.0
121.06596	3.1
125.09731	10.3
131.49423	1.2
147.08118	2.6
160.08917	1.9
187.14915	2.3
231.13879	6.5
243.17456	3.0
287.16525	100.0
288.16760	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	288.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.8
61.24421	0.3
69.65978	0.9
69.66387	1.2
93.03455	0.6
99.04543	0.4
105.03477	0.5
117.03465	17.6
118.04267	1.2
119.05025	45.5
120.05350	1.1
121.02959	14.1
123.04533	2.9
133.02943	2.1
134.03743	4.5
145.02953	41.2
146.03300	1.1
149.06085	3.6
162.03220	3.5
163.04005	22.1
164.04387	0.7
259.46893	0.3
271.10568	0.4
288.16043	100.0
289.16394	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1603
Annotation	Mesembrine
Peak:m/z	Relative Intensity
58.02980	0.8
59.01370	5.5
61.98826	2.6
65.74778	0.7
71.51887	1.2
81.03464	1.5
92.05074	1.0
93.03455	1.2
99.92619	1.1
108.04569	4.6
109.02959	4.9
119.05016	2.0
121.02964	1.1
125.02807	0.8
129.82770	0.7
134.01453	1.3
134.02484	33.9
135.03288	7.8
136.04047	35.7
137.02466	1.9
137.04399	1.0
145.02896	1.7
148.03986	1.2
163.03958	1.0
176.03506	3.3
176.87759	0.7
231.51479	0.8
245.04604	0.7
245.15480	1.2
263.13715	0.8
288.16055	100.0
289.16135	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	287.0925
Annotation	Conferol A
Peak:m/z	Relative Intensity
56.57320	0.3
59.01389	1.1
65.03963	0.9
70.47488	0.6
70.47820	0.6
91.01891	5.5
93.03455	3.7
106.04234	3.6
107.05030	0.5
108.02195	1.5
109.02948	5.1
117.77263	0.4
121.06583	0.4
121.33798	0.3
121.89143	0.4
123.04551	0.5
134.03741	46.6
135.00887	14.7
135.04085	1.1
137.02443	100.0
138.02734	3.5
149.06073	68.1
150.06401	2.4
153.01962	2.2
158.87537	0.4
175.03831	0.4
221.13943	0.4
241.05003	0.3
269.08167	0.8
287.09387	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0926
Annotation	Conferol A
Peak:m/z	Relative Intensity
55.63431	0.5
58.19351	0.5
59.01382	3.6
62.17275	0.5
71.28231	0.7
71.28605	0.6
84.76251	0.4
93.03461	77.0
94.03800	2.1
96.95996	1.8
105.04539	0.5
106.04256	4.9
107.05067	0.9
108.02165	1.2
118.15462	0.5
121.02979	5.1
123.04523	0.9
125.36941	0.5
131.90877	0.5
134.03746	70.6
135.04099	2.5
137.02452	87.2
138.02745	3.1
147.04555	1.6
149.06087	100.0
150.06416	5.7
175.04094	0.7
227.53499	0.5
269.08261	1.7
287.05899	1.1
287.09271	3.7
287.14453	0.7
287.18640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.8
61.98825	1.1
71.01372	1.1
71.06616	1.7
82.02958	1.5
125.02449	0.7
132.04584	1.2
145.04103	1.4
157.07715	1.5
173.03557	4.0
181.07764	1.5
183.05624	11.7
202.88306	0.8
215.04626	33.6
216.04927	1.3
225.06642	1.2
243.07687	5.7
262.53250	0.7
287.06750	100.0
287.10291	6.2
287.15060	3.0
288.07056	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.78493	0.8
61.68737	0.9
61.98838	5.0
67.01892	2.3
70.18536	1.4
70.18947	2.6
71.76213	0.8
74.02497	0.8
83.01418	2.2
87.00883	0.9
92.98846	0.8
95.01391	20.1
98.06100	5.4
99.02761	1.8
103.00352	1.0
108.04523	6.4
111.00869	1.0
113.02450	62.5
114.02774	1.2
115.04070	1.0
120.99685	1.2
121.06609	1.3
130.08725	1.1
132.99570	0.8
137.04300	1.4
143.11940	0.9
152.03558	5.2
155.05360	3.2
165.05536	3.0
170.04579	6.8
199.04315	3.0
199.09369	0.9
209.04530	1.8
223.06499	1.0
227.05602	13.2
227.07765	1.4
244.13008	1.9
287.06204	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	287.0561
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
56.10591	0.4
59.01381	1.8
63.02395	2.5
65.00322	10.8
69.16035	3.6
72.43187	0.3
76.06248	0.4
83.01389	5.1
96.95979	0.4
98.19926	0.5
107.01395	16.2
107.05017	0.5
108.01674	0.6
109.02967	3.0
125.02454	3.5
133.02950	1.1
134.03697	1.6
135.04526	100.0
136.04863	3.6
151.00368	90.0
152.00732	3.0
161.02444	1.0
165.01959	0.7
169.01413	0.9
169.12326	1.1
176.04128	0.4
177.01990	0.4
202.55495	0.3
213.11479	0.5
219.06003	0.5
269.04596	0.7
287.05536	18.9
288.05829	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0561
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
57.03447	14.3
59.01381	17.6
61.98833	1.0
63.02389	4.3
65.00324	9.9
69.27376	1.7
69.27781	5.0
81.03465	4.0
83.01391	11.1
88.66119	0.8
93.03458	2.8
95.01386	1.0
98.20651	1.3
99.08072	0.9
107.01382	6.4
107.05054	0.9
109.02956	2.8
111.00879	1.4
119.05044	1.1
120.10916	0.8
121.02967	1.9
123.00873	0.8
123.04553	1.9
124.01665	2.9
125.02446	100.0
126.02798	2.3
130.04233	0.9
131.05009	2.1
133.02977	2.3
134.03725	1.6
135.04547	1.8
145.02917	0.9
147.04605	1.1
149.06096	0.9
151.00362	14.8
152.01160	9.7
153.01970	3.6
156.05775	1.0
157.06596	2.2
158.03606	0.8
159.04546	2.2
161.58621	0.7
162.03365	0.8
165.01884	1.0
169.01416	0.8
169.29695	0.9
171.04553	0.8
172.05296	2.1
173.06055	6.7
175.04100	0.9
176.01155	1.0
177.05569	16.0
178.05894	1.5
178.99857	7.6
185.11801	3.5
187.07538	0.8
195.10265	1.9
197.11868	1.2
199.03922	1.1
199.07671	3.2
200.04863	0.9
201.05568	10.3
213.05510	1.5
213.11256	1.9
215.07082	5.9
215.13499	0.9
219.06549	1.8
225.05603	1.3
225.15015	1.3
227.12895	7.2
241.05055	1.8
243.06630	16.2
244.06947	1.2
259.06097	85.5
260.06488	5.4
269.04590	4.4
269.14023	1.3
287.05606	72.2
287.14951	20.5
287.18146	1.3
288.05859	4.9
288.15771	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2071
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
57.44416	0.7
59.01379	100.0
60.01716	1.2
61.98832	2.1
69.98740	0.8
72.20571	0.7
78.73739	0.8
78.95905	1.6
79.89114	0.7
83.05034	1.0
98.19796	1.5
99.08145	0.8
99.92596	0.9
107.01443	0.8
110.32114	0.8
111.08142	3.7
113.09718	6.2
116.92843	1.5
133.02956	3.4
134.89490	0.8
151.00356	1.5
197.15443	1.8
211.13351	1.2
221.84273	0.9
225.14944	3.8
225.18460	1.0
241.13452	1.4
243.15994	16.7
264.54916	0.9
267.19580	1.4
285.04037	22.8
285.12491	1.6
285.20706	48.0
285.27148	2.1
286.04324	1.5
286.21051	2.5
286.23987	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	286.0416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33103	0.8
59.01388	2.4
61.98831	100.0
69.69602	2.6
69.70010	1.7
71.01386	1.5
78.95883	1.1
80.91688	1.5
81.03449	1.6
87.00889	1.3
88.04079	0.9
89.02454	1.1
96.96067	0.8
97.02916	0.8
98.02518	1.0
102.11077	0.7
110.98473	0.8
114.98897	1.6
115.00434	1.7
121.08099	0.7
125.02481	4.2
128.03642	1.2
130.08748	7.4
131.08272	1.4
135.70358	0.7
137.00688	0.9
154.90622	2.9
168.03044	0.9
168.10912	0.7
184.11235	0.7
186.15926	0.9
200.17680	5.4
244.06770	2.6
244.16692	2.1
269.16251	2.8
280.49915	1.0
286.05927	1.3
286.11096	0.8
286.18854	15.4
287.13898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
52.28686	0.3
53.79282	0.4
59.01377	5.2
60.01701	0.6
61.98819	1.2
69.15252	3.2
70.02971	0.8
71.42706	0.3
74.06112	2.5
83.68066	0.3
99.92550	0.5
112.12313	0.4
116.92873	0.8
117.07107	3.0
117.46248	0.3
118.05090	0.5
125.09734	0.4
130.31561	0.3
130.61719	0.4
136.01649	1.1
138.88861	0.4
199.11147	0.3
205.08717	0.7
240.23402	2.7
241.23634	0.4
242.21211	1.3
244.16330	0.8
268.22754	1.0
284.22269	0.5
286.04376	1.6
286.23868	100.0
287.16666	1.7
287.24213	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	285.0405
Annotation	Luteolin
Peak:m/z	Relative Intensity
54.64418	0.2
56.53967	0.2
57.27275	0.2
59.01385	1.3
63.02404	0.9
63.48688	0.1
65.00333	0.5
65.26011	0.2
67.01881	0.3
69.40202	0.4
69.40615	0.8
76.00143	0.1
83.01386	0.9
91.01903	0.2
93.03459	2.5
95.01367	0.3
98.45934	0.1
107.01402	1.6
108.02168	0.4
109.02956	0.9
117.03493	0.6
119.01344	0.3
121.02956	0.4
121.12218	0.2
123.00857	0.4
123.04490	0.5
130.04213	0.3
131.05057	0.2
133.02959	0.6
135.00864	0.5
137.02437	0.8
142.15260	0.2
143.05031	1.2
145.02989	1.1
151.00375	1.7
154.04210	0.9
155.05020	0.5
156.05856	0.3
157.02950	0.2
157.06554	0.6
158.03706	0.3
159.04536	1.5
161.02464	0.5
163.00304	0.8
164.01216	0.3
165.01848	0.3
167.05020	0.6
168.05795	0.5
169.06609	1.2
171.04529	1.0
173.02431	0.6
173.06049	0.2
175.04004	0.2
183.04500	0.5
184.05203	0.4
185.06064	2.4
187.04001	2.1
189.05585	0.5
192.00693	0.2
195.04482	0.3
196.05254	0.2
197.06047	0.2
199.04012	0.4
201.05553	0.5
211.03989	1.2
212.04550	0.3
213.05458	0.9
214.02676	0.6
215.03497	0.8
219.02907	0.2
227.03479	0.5
229.05045	2.2
230.05257	0.2
238.07283	0.2
239.03419	1.3
240.04207	0.3
241.04993	0.4
243.02934	0.7
243.15996	0.5
255.03003	0.4
256.03732	0.3
257.04477	0.9
267.03058	0.2
268.03775	0.4
284.03207	0.2
285.04034	100.0
286.04370	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	285.182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22396	0.4
59.01381	100.0
60.01717	0.8
61.98841	1.6
69.55910	2.7
71.01390	0.4
75.76684	0.4
81.03465	0.7
83.05028	3.9
85.02948	0.4
85.67892	0.3
89.02429	0.6
91.75999	0.4
98.19908	0.8
105.32326	0.4
111.08108	0.4
119.03594	0.5
119.05035	5.7
120.99659	10.3
121.00487	0.7
127.05115	0.5
128.03563	0.5
145.06204	1.4
162.02371	0.5
163.04001	0.7
172.36644	0.5
225.16092	12.8
226.16570	0.5
228.35860	0.4
285.04074	4.4
285.27182	0.7
287.63797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80722	0.7
54.61874	0.7
57.03440	2.7
59.01381	36.8
60.77076	0.7
61.98824	2.1
69.03458	1.6
71.01385	1.1
71.52159	1.0
73.02963	1.7
75.36322	0.6
79.95731	2.3
83.05022	1.3
85.09202	0.7
85.69285	0.8
93.03455	1.0
94.52677	0.8
95.01383	1.5
99.08158	1.4
108.02097	0.8
109.06615	0.9
111.08144	0.8
113.09725	2.2
121.10236	2.2
123.85690	0.8
125.09746	0.7
129.09254	1.8
137.09721	3.3
139.11279	2.6
141.09236	1.9
153.09192	3.0
155.10770	1.8
160.72176	0.9
161.04628	0.9
163.11256	1.3
169.08694	3.0
171.10231	1.6
183.10266	8.4
195.13905	1.7
197.90186	1.1
201.02580	1.4
203.18015	2.1
205.12309	1.3
219.07608	0.6
219.13892	7.2
220.14178	0.9
223.08229	0.9
223.13399	1.7
241.14531	10.2
255.02957	1.0
265.18045	6.1
268.03790	8.3
283.02887	1.3
283.06189	5.6
283.10089	28.4
283.19250	28.4
283.26410	100.0
284.03268	1.1
284.10352	2.1
284.19522	1.7
284.26767	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	285.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55868	0.2
57.17840	0.1
59.01382	1.2
62.67212	0.1
63.02396	0.9
65.00327	2.8
69.32861	1.1
83.01394	1.6
93.03463	0.3
97.81677	0.1
98.19950	0.3
101.05554	0.1
105.03469	0.7
105.66079	0.1
107.01400	4.7
108.01694	0.2
108.99383	0.2
109.02958	0.1
121.02969	1.0
128.13815	0.1
132.02197	0.5
133.02959	26.2
134.03279	1.0
137.02385	0.2
143.05031	0.3
147.04482	0.4
149.02438	3.8
151.00365	8.2
152.00731	0.3
155.05144	0.1
169.06558	0.3
170.03722	0.1
171.04474	0.6
173.02435	0.2
173.06035	0.2
174.03191	0.2
175.04004	5.0
176.04419	0.2
183.04562	0.1
185.06065	0.5
187.04086	0.3
189.05516	0.4
196.05225	0.2
197.06065	0.5
198.03271	0.7
199.04002	3.7
199.13356	0.3
200.04324	0.3
201.01949	1.6
211.03944	0.2
212.04713	0.3
213.05510	0.8
214.02725	0.2
215.03485	0.8
217.05035	2.2
223.03979	0.5
224.04630	0.2
225.14978	0.2
226.02701	0.1
229.05072	0.3
239.03416	0.3
240.04219	0.3
241.05064	1.2
243.02979	1.0
243.15977	0.6
257.04657	0.7
267.02933	0.3
285.04044	100.0
286.04388	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01722	0.8
80.99125	0.5
106.61666	0.5
137.06067	2.8
190.94649	0.5
223.13435	0.9
229.37022	0.7
262.69775	0.4
283.11896	1.4
283.15002	0.5
283.26416	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
52.19014	0.4
55.98417	0.4
56.46564	0.5
58.33753	0.4
59.01384	5.5
60.61145	0.4
61.98830	0.9
69.03487	0.5
70.26137	1.6
71.24207	0.4
87.27229	0.6
87.39463	0.4
107.05032	98.5
108.05372	2.9
119.02972	0.5
123.04542	0.6
124.71609	0.5
137.09814	0.6
163.11296	100.0
164.11627	3.8
195.14006	0.6
212.90283	0.5
223.13454	0.6
241.14497	2.3
255.03094	0.5
268.03748	2.8
283.02911	1.0
283.06180	1.8
283.17041	99.1
283.22900	3.7
283.26373	43.8
284.17352	7.8
284.20187	0.7
284.26825	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1758
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
50.07820	0.9
57.03445	4.1
59.01381	22.1
61.98835	1.1
65.36554	0.9
69.03471	2.0
69.86820	2.0
69.87237	2.6
71.01381	1.2
73.02972	1.4
87.00803	0.9
95.05008	1.8
96.95990	1.1
97.06602	0.8
109.06575	2.4
109.27940	0.8
111.08161	39.7
112.08492	1.3
116.92892	0.9
119.08661	3.2
121.10183	1.2
123.08163	2.6
125.06071	1.5
125.09725	10.4
127.07657	1.2
129.66861	0.9
137.09718	16.6
138.10059	1.6
139.11304	1.4
141.09215	5.0
149.09708	2.2
151.07645	3.3
153.09160	3.1
155.10718	1.6
165.09200	1.5
165.12823	2.2
169.08696	100.0
170.09018	3.1
171.10312	5.0
173.76483	0.9
177.12805	2.8
183.10301	12.0
193.08730	1.6
196.64029	1.1
199.09740	4.2
201.16476	1.9
219.17514	3.3
221.11795	2.3
235.17039	5.3
237.14906	2.7
239.12881	43.8
240.13142	2.9
245.15222	1.5
263.16516	12.7
273.32068	0.9
281.13998	4.9
281.17529	36.5
281.24570	4.3
282.17868	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	282.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
61.98830	1.7
66.00988	0.7
66.37016	0.2
70.08454	0.4
70.08852	0.4
71.01385	0.2
73.02982	0.2
82.04095	1.0
83.01443	0.2
93.40569	0.2
107.03635	3.8
108.02042	9.8
113.05057	0.2
116.32595	0.2
117.01987	0.2
120.47793	0.2
124.89079	0.2
126.03088	3.0
133.01563	28.4
134.01942	0.5
134.05420	0.3
150.04210	100.0
151.02629	0.8
151.04672	1.9
164.05742	0.3
181.92592	0.3
223.61058	0.2
248.47263	0.2
282.08432	32.0
283.08908	1.3
283.26364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.5
59.01378	18.7
69.14670	2.1
69.30822	0.2
73.02979	0.4
83.05030	5.1
97.06590	3.7
107.05025	0.2
111.08156	0.3
119.41304	0.2
121.06581	0.4
121.10224	0.2
123.08178	1.1
130.76527	0.2
137.09717	2.6
139.11295	1.1
147.08144	0.4
149.09717	2.0
151.11244	1.0
163.11282	6.3
165.12856	1.7
167.14409	0.8
177.12839	1.3
179.10773	0.7
179.14413	2.3
195.13895	18.6
196.14226	0.9
223.13385	18.7
224.13692	1.4
232.04169	0.2
239.12833	0.3
241.14444	100.0
242.14799	6.3
283.15494	7.9
284.15814	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.155
Annotation	[3S-(3alpha,3aalpha,5aalpha,6alpha,8beta,9beta,9aalpha,9bbeta)]-Decahydro-6,8,9-trihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.06279	0.7
55.01870	2.6
57.03435	1.0
59.01378	18.3
69.75916	2.9
73.02945	100.0
74.03287	1.4
82.17068	0.5
83.05013	0.9
97.06588	2.7
98.20662	0.7
99.04512	2.2
109.06577	1.3
110.65414	0.6
117.01955	0.9
137.09686	1.6
163.11226	1.1
165.12839	12.3
195.13963	1.8
198.22751	0.6
203.14481	0.6
209.11816	26.7
209.13823	1.4
210.12172	2.1
221.15462	7.7
222.15866	0.9
223.13408	0.8
239.16513	15.0
240.16928	0.6
241.14497	8.9
255.03008	1.6
265.14377	2.6
268.03760	2.0
283.06186	2.5
283.15509	62.6
283.26410	38.8
284.15762	2.9
284.26764	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	281.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64535	1.7
57.03432	5.3
59.01378	100.0
69.03471	2.3
69.34540	15.7
85.02956	7.9
98.03732	6.3
100.90734	1.7
105.14029	1.6
109.06600	1.9
118.61124	1.6
134.20518	1.7
135.04532	10.6
135.08203	2.7
136.66736	2.1
137.09721	3.7
175.11264	2.4
179.03499	7.4
195.13895	13.2
199.11169	2.0
203.10826	3.2
219.13928	6.1
223.81451	2.1
227.84337	2.0
237.09151	4.4
237.14946	37.9
238.15402	2.0
239.12862	1.9
267.59372	1.7
302.07684	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1758
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
53.19109	0.9
55.07054	1.0
55.56607	1.1
57.03450	8.6
59.01380	45.9
59.25781	1.0
61.98825	2.6
65.88103	0.9
69.03450	2.2
70.37403	2.0
70.37765	2.2
71.01377	2.8
73.02968	1.2
73.32095	1.0
83.05034	2.0
84.73372	0.9
89.67508	1.1
93.07078	1.2
95.05041	1.7
109.06568	2.9
111.08157	26.0
113.01620	1.0
114.73975	1.0
116.92846	7.7
119.08633	7.1
121.06602	3.2
123.08158	2.8
125.09728	8.5
127.07673	3.5
134.89474	1.1
135.08195	1.7
136.89154	1.3
137.09720	37.5
138.10083	1.1
139.11276	2.9
141.09196	3.2
149.09683	2.7
151.07635	4.0
151.08728	1.1
151.11218	1.5
153.09241	4.9
155.10780	2.7
161.09705	1.5
165.09119	1.2
169.08698	89.9
170.09084	4.1
171.10287	3.6
177.12860	7.7
183.10271	15.2
199.09790	2.0
199.41046	1.0
201.16463	1.5
212.94420	1.0
217.87048	4.0
219.17545	2.1
221.11943	5.1
235.17000	7.9
237.14903	2.8
239.12880	100.0
240.13228	5.4
243.79108	1.6
263.16522	14.6
280.86703	1.2
281.13940	7.6
281.17535	31.3
281.24744	6.4
282.14917	1.2
282.18063	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.82700	0.4
52.44386	0.4
52.69130	0.4
59.01360	0.4
60.74467	0.4
64.19160	0.4
67.05590	0.4
70.73692	0.9
70.74043	0.7
149.32375	0.4
187.13425	0.4
232.69247	0.4
279.23276	100.0
280.23602	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	281.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09771	0.4
58.99606	6.1
59.01377	13.2
61.98829	100.0
64.96763	0.4
69.64571	3.1
71.01385	1.1
72.99332	0.6
74.99105	1.9
76.39221	0.4
80.04167	0.5
81.95366	0.4
87.00900	1.2
88.04060	1.9
96.96013	1.1
98.20641	0.6
116.95814	0.5
135.04520	1.3
136.99156	1.8
137.09837	0.7
139.62489	0.5
146.08144	0.7
147.64931	0.5
159.82651	0.5
161.02423	0.6
163.03961	0.9
179.03526	1.1
199.39462	0.5
200.86555	0.5
218.10281	2.6
239.13008	1.7
281.10788	3.9
281.24789	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1392
Annotation	11,13-Dihydrosilostachyin
Peak:m/z	Relative Intensity
52.11195	0.2
53.34525	0.2
57.03448	8.0
59.01377	21.0
60.01719	0.2
66.77316	0.2
69.22483	1.9
71.01389	0.7
72.99312	0.2
74.59069	0.2
79.24619	0.2
81.03450	0.3
88.39565	0.2
119.08665	6.2
121.06601	2.3
135.08134	0.3
137.09718	40.4
138.10081	1.8
149.09717	1.4
151.11264	0.6
161.09721	2.3
167.14407	0.7
175.11279	0.5
177.12845	6.1
178.13223	0.3
193.12402	0.3
204.41872	0.2
219.10388	0.2
221.11826	7.8
222.12173	0.4
239.12877	100.0
240.13197	5.2
281.13937	8.8
282.14066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12005	4.1
58.02981	31.1
59.01368	21.9
63.02124	4.5
71.51973	6.0
73.02909	4.5
89.66322	4.7
105.90206	4.2
115.00340	5.6
115.04798	4.4
119.05015	14.6
133.01440	10.9
137.09706	11.2
145.06557	14.2
146.83888	4.6
159.08170	22.3
160.08945	25.0
163.03973	9.7
173.09642	7.3
175.11273	97.6
217.12151	4.9
219.10263	100.0
220.10690	4.3
220.13298	6.5
235.13333	16.2
236.16544	9.6
238.14429	62.6
279.23395	33.9
280.12665	7.8
280.15524	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.2
59.01378	8.0
64.22628	1.9
69.96909	7.6
71.01389	1.9
81.03486	2.2
83.05043	2.1
119.05026	6.2
133.01366	2.7
133.10255	4.4
139.07640	6.3
141.07150	2.7
145.06560	9.0
149.82025	1.9
157.06615	6.1
159.08156	25.7
160.08934	24.2
163.04045	3.2
173.09743	10.4
175.11275	100.0
176.11597	3.0
205.12338	2.9
217.12326	3.8
219.10265	91.6
219.12440	4.4
220.10501	3.5
279.12476	2.1
279.23334	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	279.2324
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.50377	0.4
51.80974	0.4
59.01365	0.7
60.31057	0.4
61.23199	0.4
71.51807	0.6
96.96009	1.4
123.78692	0.4
128.54915	0.4
134.89479	0.5
261.22183	0.7
279.23285	100.0
280.23672	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	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.0
61.98835	20.0
66.03487	2.8
67.71649	2.3
69.90157	4.7
69.90553	6.7
82.02987	7.0
98.20000	5.0
103.00395	13.2
107.99227	2.3
110.02485	32.3
111.00896	3.1
111.02002	36.2
128.89217	8.8
130.28072	2.4
130.88940	11.8
140.03435	2.6
144.86938	3.1
151.05991	2.3
152.03542	6.8
174.98453	5.1
175.24529	2.4
179.05609	3.2
194.04544	3.4
195.04871	4.5
200.05673	12.5
216.01176	5.8
237.56537	2.4
243.03682	4.7
243.06197	100.0
244.06595	3.0
267.00858	3.0
279.03912	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	279.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17490	0.7
67.66696	0.7
71.01384	24.2
71.10630	1.7
72.99315	1.9
80.83305	0.8
87.00853	1.0
89.02424	1.4
91.17142	0.7
109.62380	0.9
115.00378	28.4
118.18628	0.8
119.05028	65.1
120.05412	1.1
133.01431	67.6
134.01701	0.9
163.04007	100.0
164.04338	3.2
191.23465	0.8
250.92154	0.9
267.33560	0.8
268.02628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40590	0.7
71.01384	15.5
71.24413	1.3
72.99318	3.0
89.02454	1.7
91.88459	0.8
98.19813	0.8
115.00372	40.3
119.05025	36.9
120.05317	1.1
125.78188	0.8
133.01431	100.0
134.01772	1.2
163.04007	34.7
164.04402	1.2
234.04887	0.6
303.80774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01133	0.5
54.49400	0.5
57.03456	0.8
58.00603	0.8
59.01379	19.2
61.98834	3.1
68.99567	3.5
69.03453	1.2
69.87427	2.5
71.01385	6.5
72.99329	1.0
73.02946	10.2
75.00877	2.4
83.01396	2.3
83.05057	0.7
85.02950	2.2
87.00906	1.0
87.04517	6.7
89.02439	2.2
94.61088	0.5
97.02935	2.6
99.04451	0.5
101.02445	2.1
103.00374	100.0
103.04012	19.9
104.00719	1.3
105.00783	0.5
110.02467	2.3
111.02031	1.8
112.98568	4.7
113.02456	3.1
115.04002	3.7
116.07178	0.6
117.05556	0.9
121.02952	0.5
122.89423	1.4
127.03998	1.0
129.01942	0.6
144.86992	0.5
145.05072	3.5
175.02521	0.9
175.06094	1.0
195.05109	1.4
200.05692	1.1
201.95876	0.6
218.98544	0.9
243.06203	4.8
279.04114	1.2
279.07205	7.4
279.10434	0.8
279.13519	1.0
279.23264	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	278.1145
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
58.02974	14.5
59.01377	12.3
61.98803	1.2
70.02983	2.0
71.01382	12.8
71.02503	21.5
72.00909	7.0
72.01727	2.2
72.99309	1.3
85.02950	5.5
87.00887	2.7
88.04047	3.8
89.02441	10.1
91.05521	4.5
95.02531	3.2
98.02487	17.5
101.02439	4.7
101.06082	9.7
109.01707	4.0
112.05181	3.9
113.02429	3.2
113.03577	32.4
114.01996	1.5
115.00393	2.3
116.42583	1.0
118.05849	2.0
118.06636	21.4
118.07426	1.0
119.03541	2.8
119.05010	3.2
120.99648	3.2
121.10004	1.0
122.06131	1.9
122.99245	1.8
126.03555	1.1
126.04321	6.9
130.06215	14.7
131.91687	1.0
132.03024	10.5
133.05083	3.8
134.05406	3.4
135.04520	1.0
136.07715	1.3
144.04530	1.6
145.02893	1.3
147.04515	32.5
148.07689	3.7
161.04506	1.2
164.07158	100.0
165.07515	1.6
174.05481	2.1
175.08766	29.7
176.09151	1.2
176.46159	1.0
176.47842	1.1
179.05676	1.1
188.04303	1.0
199.08763	3.5
200.07175	4.0
204.10387	1.2
207.71440	1.0
216.10262	1.2
217.09772	13.6
217.11470	1.2
218.91296	1.0
244.06107	3.8
261.08786	29.8
262.09192	1.6
278.06589	3.1
278.11472	75.9
278.21954	7.4
279.11591	6.0
279.23386	5.3
281.17435	1.0
283.92685	1.3
287.89615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0669
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
54.22447	0.5
57.03447	0.5
59.01385	2.3
61.98826	0.7
66.45156	0.4
70.02985	0.6
71.01382	6.4
72.00925	0.5
80.10731	0.4
82.02965	0.4
85.02952	1.5
88.04044	24.0
89.04369	0.5
93.03474	1.1
101.02424	0.5
101.06073	3.8
108.04571	0.7
111.00931	0.4
111.06426	0.5
112.30512	0.4
114.01983	3.9
115.00374	11.7
117.03437	1.2
119.05032	17.7
120.99643	0.6
121.02942	0.6
124.07669	1.5
125.08028	0.8
127.01643	0.4
129.01947	0.5
131.05093	0.5
132.03032	100.0
133.03363	1.7
134.54208	0.4
136.07703	1.6
136.93756	0.5
137.08008	2.3
139.04005	0.7
141.51517	0.5
145.02957	4.0
145.04851	0.6
145.06596	1.2
146.03273	0.9
146.06931	3.0
146.08240	1.3
147.08447	0.6
149.02457	0.9
159.02954	0.4
159.04443	0.8
162.05608	0.9
163.04010	16.6
165.02100	0.5
168.06673	1.8
169.07019	2.4
172.07690	0.9
173.06044	0.9
174.06458	2.3
180.06610	0.5
181.07062	1.0
187.04062	0.5
188.04362	0.8
188.07150	0.4
190.12427	0.5
217.05067	0.6
218.05415	1.8
234.07744	1.6
277.21622	2.3
278.06723	8.2
278.12488	2.1
278.22055	5.2
279.04993	0.7
279.23236	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	278.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00380	1.2
57.03440	5.1
59.01382	100.0
60.01717	1.7
65.00323	9.4
70.46853	3.6
81.03457	2.6
83.01395	16.4
90.98599	4.4
97.02971	1.3
102.03845	1.3
107.01382	17.5
108.35684	1.2
124.01688	3.3
125.02462	42.1
126.02773	3.1
129.07442	4.3
131.01404	1.7
132.57048	1.2
139.03946	1.6
147.08464	5.7
149.02383	2.0
149.82486	1.2
151.00380	76.8
152.00702	5.2
168.00630	3.4
169.01428	27.1
170.01791	1.5
173.06326	1.2
175.00369	7.1
179.00224	2.2
191.07425	1.5
193.01433	6.6
217.08960	2.0
235.09909	1.4
269.08575	2.2
278.08990	31.5
278.22043	3.5
278.59149	10.5
279.09106	2.3
279.23318	4.9
282.48761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77689	4.1
56.45996	3.0
59.01356	3.5
60.79440	3.2
60.97915	3.0
61.98829	14.8
66.07299	3.3
67.23404	3.3
71.01403	4.4
71.50315	5.1
76.17027	3.8
78.95898	5.7
82.02966	3.6
95.05018	7.3
96.96985	8.3
97.06580	4.3
98.02495	3.9
101.92495	4.1
103.00372	21.5
107.04999	8.7
110.02499	13.4
111.02019	9.9
119.05013	4.7
120.89838	9.4
122.06134	14.3
125.06089	12.0
125.87321	10.9
128.03500	4.1
128.89214	41.2
128.90065	4.2
129.89290	10.2
130.88918	56.7
134.06111	13.5
137.06076	10.1
138.05611	8.6
139.25226	4.0
144.86949	36.9
145.61505	3.3
146.86678	25.6
148.04094	4.0
149.04401	5.0
150.05626	44.5
152.07266	3.5
155.07083	4.5
157.86342	9.2
160.84210	12.9
162.05603	15.8
168.06645	5.0
176.96228	5.4
177.03996	4.4
180.06644	38.9
194.04587	100.0
198.07722	6.6
203.99123	7.0
210.77133	3.9
224.05692	4.1
241.88452	8.5
242.06667	74.8
243.06184	19.6
278.04367	10.3
279.03732	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	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.93536	0.3
59.01374	2.2
69.31575	1.4
90.25028	0.3
92.17760	0.3
106.61276	0.4
121.02930	0.5
233.22636	0.4
259.20703	0.4
275.20120	0.6
277.21701	100.0
278.22031	6.7
284.18420	0.4
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
53.74313	0.3
55.90336	0.3
59.01357	1.0
60.23046	0.4
70.81828	0.8
82.79786	0.3
107.87376	0.4
127.07637	0.5
259.20447	0.4
277.21725	100.0
278.18997	0.5
278.22049	6.0
296.03613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.1
61.98827	0.3
70.30700	1.1
71.01379	0.3
77.58183	0.3
83.05004	0.3
116.92810	0.3
121.03002	1.5
127.07628	0.4
134.89468	0.9
141.56087	0.3
174.05687	0.3
205.15930	0.6
233.22739	0.4
241.79283	0.4
259.20679	0.4
277.18271	7.4
277.21695	100.0
278.18884	0.5
278.22055	7.9
289.26831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66373	0.6
58.00588	1.1
58.02978	0.8
59.01378	15.0
69.59341	3.0
69.59744	1.5
71.01384	6.1
75.00901	1.2
79.27727	0.6
85.02943	1.5
85.69750	0.5
89.02427	1.7
98.19962	1.3
101.06078	40.8
103.00369	100.0
104.00707	0.8
109.29878	0.7
115.07650	23.2
116.07942	0.9
119.05031	0.9
130.06630	4.8
143.07156	3.7
144.04625	1.4
145.02959	0.6
145.06596	2.4
146.06105	1.3
170.60277	0.6
173.06030	1.4
173.08205	0.8
174.05579	5.8
175.02409	0.8
190.05058	3.3
217.04977	0.9
241.07758	0.7
242.13609	0.6
277.09357	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	277.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	10.7
58.02972	1.9
59.01380	22.4
61.95432	0.6
61.98831	7.3
63.79391	0.7
65.86905	0.8
68.99574	3.9
69.58485	2.8
71.01381	7.5
72.99312	0.7
75.00892	1.1
78.95918	3.6
81.88717	0.7
83.01386	10.4
84.04538	1.5
85.02965	1.8
89.02436	5.5
92.05060	2.1
96.96957	3.0
98.20605	1.4
101.02433	6.3
103.00373	100.0
111.00894	1.0
112.98566	4.1
113.02422	1.7
120.71725	0.8
120.99651	2.1
121.02982	1.4
125.02435	7.1
125.87309	1.5
128.03543	6.9
131.03632	0.7
144.04544	1.9
146.02489	0.7
148.04050	4.2
155.03467	1.1
157.86322	1.1
160.84160	1.3
169.13470	0.9
173.07269	1.0
174.05597	0.7
175.02495	0.7
178.95032	0.8
189.02299	0.7
193.03526	21.3
215.08299	1.5
241.88367	0.8
259.07339	0.9
276.98877	3.8
277.05582	3.0
277.08353	2.8
277.11874	1.0
277.21735	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	277.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91868	0.8
57.03437	1.3
58.02975	34.1
59.01377	4.7
61.98829	1.5
69.58328	3.6
71.01379	3.0
71.05011	0.9
72.00886	1.0
75.00868	1.0
75.87958	0.7
78.95892	1.1
81.30589	0.7
83.01392	0.8
84.04546	24.6
86.02480	1.9
92.05060	32.1
96.96970	1.1
99.04466	1.0
103.00368	3.1
103.02232	3.1
108.04556	1.0
115.04076	1.2
118.06633	1.7
120.04550	12.0
120.99653	4.0
121.02950	2.7
128.03542	100.0
128.05074	5.1
129.03860	1.8
129.41847	0.8
129.77522	0.7
130.06619	3.3
130.65944	0.8
131.03729	4.2
131.47310	0.8
134.06145	1.6
135.06496	0.8
144.04553	30.0
145.02951	0.9
145.06584	1.7
145.07687	0.9
146.02467	10.1
146.06114	14.1
146.08215	0.9
147.03241	2.1
148.04045	72.0
149.04405	2.1
160.03995	1.0
161.79024	0.8
162.04880	1.1
168.06654	1.3
171.05641	1.0
173.05855	0.7
173.07214	14.7
174.05605	2.8
186.09285	0.8
187.03952	0.9
190.05084	4.8
193.03534	1.3
215.08238	32.9
216.08533	1.7
217.12007	1.0
233.09236	2.3
235.07182	4.1
249.32027	0.8
249.79585	0.8
259.07288	7.1
259.48810	0.8
277.08286	48.8
277.12378	2.4
277.21713	14.4
278.08560	1.8
283.33194	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2016
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.04137	3.0
51.06828	3.2
53.13079	3.2
56.25473	3.5
59.01369	3.1
61.98817	5.0
65.92116	3.1
71.21250	6.1
76.06610	3.1
187.03790	4.1
231.21170	100.0
232.21507	6.6
275.20114	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.9
57.03438	2.9
58.02974	0.8
59.01378	12.8
65.57164	0.7
69.93245	3.3
71.01379	51.2
72.01716	0.8
73.02945	15.0
74.02451	0.7
75.00857	1.7
79.48425	0.6
81.03467	0.8
83.01382	5.6
85.02953	23.5
87.00867	1.4
89.02460	4.2
92.05088	0.7
95.01385	3.6
97.02964	1.8
99.00880	6.4
99.04523	0.7
101.02439	28.8
102.98593	0.9
103.02229	0.8
108.43108	0.7
109.13125	0.6
110.02478	4.3
113.02452	23.3
117.79626	0.6
120.99652	2.7
125.02448	2.5
128.03558	1.5
130.08740	0.8
134.06108	3.1
143.03516	3.3
143.04608	0.5
145.02965	2.5
146.08180	0.8
148.04044	1.1
159.02985	6.6
161.04550	100.0
162.04884	2.5
162.35878	0.7
188.05643	8.7
205.03462	1.2
214.08685	2.2
222.05266	0.7
225.15941	0.7
232.09836	1.2
246.09825	0.8
258.07697	0.8
275.87936	0.7
276.11072	3.4
277.12155	3.0
277.21783	1.6
279.80569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	1.9
58.02960	1.2
59.01379	16.1
60.93215	0.7
61.98837	9.3
65.40749	0.6
65.90070	0.6
69.96150	0.9
69.96437	3.4
71.01382	7.6
72.99294	1.0
75.00881	0.8
83.98805	0.6
85.02952	1.3
85.06589	2.0
89.02451	1.6
99.04520	36.9
103.00372	100.0
104.00708	1.4
113.06091	15.6
119.35368	0.8
130.05142	1.6
141.05571	2.8
144.04530	1.0
145.02963	5.2
146.02473	8.4
147.03198	0.6
159.03113	0.9
160.04057	2.9
161.15192	0.7
171.05585	3.7
172.03999	2.7
189.06709	2.8
204.06573	0.8
215.04657	3.0
231.07819	1.1
232.09906	0.7
275.07523	7.0
275.10559	1.4
276.08368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05685	1.0
59.01378	2.2
71.52303	0.9
96.42162	1.0
108.08208	3.4
110.02493	3.1
116.92910	3.7
117.03532	1.4
118.06628	1.9
121.05369	1.8
132.04575	2.9
133.02925	1.3
134.03741	6.0
135.04544	2.6
136.04105	2.6
136.07684	46.8
138.01988	5.0
144.08223	1.2
146.06180	1.2
152.03717	0.9
153.04367	1.7
158.06139	6.8
161.07196	1.9
162.03299	3.3
165.49451	1.0
172.07677	26.9
173.08435	4.2
178.02734	1.6
180.06656	10.0
186.09296	2.4
188.10805	100.0
189.08034	1.3
189.11186	4.9
200.05902	1.3
201.10419	1.9
202.08797	1.6
204.10388	3.0
213.06786	1.0
213.10468	1.5
214.07516	3.0
217.07530	4.2
227.04678	1.6
228.05354	1.1
229.09775	7.1
231.11533	2.3
232.09767	58.9
233.10237	3.6
239.08315	1.0
242.06958	6.1
257.09302	87.0
258.09613	3.8
275.10403	34.1
275.13354	2.0
276.10666	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	273.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	31.0
61.98832	3.4
69.51550	1.3
70.94888	2.7
73.41258	1.5
83.01374	4.1
84.02154	2.5
91.03114	1.2
92.08939	1.3
97.02905	2.1
119.99035	1.2
120.91688	1.2
123.04526	5.1
125.09731	4.4
129.09250	1.4
151.00392	1.3
155.14424	1.8
167.03477	3.8
167.14384	1.7
171.10292	3.7
183.13867	2.3
185.15453	6.0
191.10773	2.6
209.11836	2.9
213.14929	6.2
226.12019	2.9
229.08572	1.8
231.16017	35.2
232.16318	2.8
241.14583	1.8
245.04573	3.8
273.03946	3.7
273.07626	4.1
273.12390	4.8
273.17044	100.0
274.17419	3.8
279.32199	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	273.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51882	0.7
57.03443	1.2
58.00594	1.3
58.94304	0.7
59.01374	7.7
61.98813	1.2
66.57064	0.8
69.03452	1.6
71.01376	2.0
71.05015	0.7
71.51959	0.6
71.52349	0.7
72.87705	0.7
73.02940	1.7
83.05005	2.1
93.03459	0.8
95.05006	1.7
97.06593	11.7
99.08158	6.6
109.06590	2.5
111.04518	0.9
111.08157	26.1
112.08437	0.9
113.06099	10.0
113.09715	4.3
115.04019	2.8
115.07648	1.3
125.06094	4.1
127.07652	16.3
129.09222	14.8
137.06079	3.1
137.38490	0.7
139.11287	3.0
143.07141	29.4
144.07510	1.1
155.07138	9.2
157.12361	0.9
173.08162	2.0
175.14879	3.1
193.15973	2.7
209.15439	1.0
211.17007	1.2
229.18037	1.0
237.14885	2.3
245.04469	0.9
255.16054	3.7
273.17059	100.0
274.17429	6.4
293.01657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51882	0.7
57.03443	1.2
58.00594	1.3
58.94304	0.7
59.01374	7.7
61.98813	1.2
66.57064	0.8
69.03452	1.6
71.01376	2.0
71.05015	0.7
71.51959	0.6
71.52349	0.7
72.87705	0.7
73.02940	1.7
83.05005	2.1
93.03459	0.8
95.05006	1.7
97.06593	11.7
99.08158	6.6
109.06590	2.5
111.04518	0.9
111.08157	26.1
112.08437	0.9
113.06099	10.0
113.09715	4.3
115.04019	2.8
115.07648	1.3
125.06094	4.1
127.07652	16.3
129.09222	14.8
137.06079	3.1
137.38490	0.7
139.11287	3.0
143.07141	29.4
144.07510	1.1
155.07138	9.2
157.12361	0.9
173.08162	2.0
175.14879	3.1
193.15973	2.7
209.15439	1.0
211.17007	1.2
229.18037	1.0
237.14885	2.3
245.04469	0.9
255.16054	3.7
273.17059	100.0
274.17429	6.4
293.01657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.7
57.03434	1.1
58.00595	0.9
59.01378	6.7
62.84296	0.7
69.03437	1.6
71.01396	1.1
71.51237	1.4
79.97305	0.7
81.03438	0.9
83.05028	2.3
93.03463	1.6
93.66212	0.6
93.95984	0.8
95.05027	1.8
97.06617	4.7
99.08153	10.5
109.06577	2.6
111.04557	1.1
111.08163	48.8
111.18454	0.7
112.08486	1.4
113.06097	8.1
113.09710	2.8
114.62929	0.7
115.07662	1.9
125.06100	2.0
127.07662	8.9
127.11253	0.9
129.09221	20.7
137.06044	3.7
139.11354	1.0
143.07133	3.8
148.01028	0.6
155.07144	18.8
157.12299	1.6
173.08189	1.1
175.14973	6.4
193.16032	4.7
209.15376	2.0
211.17023	2.8
213.06836	0.8
229.09851	4.5
229.18016	1.3
251.04828	0.8
255.16069	4.8
257.49084	0.7
273.08984	4.9
273.17078	100.0
274.17419	5.5
277.34174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24052	0.4
57.03442	0.9
57.07983	0.4
58.00597	4.0
59.01379	17.3
69.03450	0.5
69.13789	0.4
69.62391	0.9
69.62797	1.8
71.01015	0.6
71.01380	9.2
71.05023	5.7
71.81404	0.4
73.02950	8.4
79.95741	0.5
81.03452	1.2
83.05029	6.9
84.02141	0.7
85.06574	1.3
87.04533	0.9
93.03463	0.4
95.05018	1.8
95.52139	0.4
97.02939	2.0
97.84049	0.4
99.04490	1.5
99.08140	0.7
101.06083	6.0
102.56245	0.4
108.92055	0.4
111.04510	4.1
111.08170	0.9
113.06076	4.9
115.04013	13.6
125.09718	1.2
127.04007	1.1
127.11290	7.6
129.05579	6.8
129.09200	1.5
137.09700	2.0
139.11293	8.9
145.05060	7.1
155.10783	7.1
157.12311	0.9
175.14908	5.7
176.15216	0.6
181.12308	0.8
193.15984	5.7
201.14917	0.8
209.15501	0.5
237.14984	1.6
255.15999	12.1
256.16260	1.0
273.17062	100.0
274.17380	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	271.1913
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
57.03442	1.1
58.19967	0.5
59.01357	2.4
61.98819	0.6
71.01408	0.9
71.52295	0.6
73.55205	0.4
85.02919	0.6
87.04028	0.9
87.04519	11.5
94.81944	0.5
99.00880	0.5
104.75335	0.5
108.02149	1.3
124.17976	0.5
126.65591	0.4
151.19122	0.5
167.14401	1.4
183.13907	10.5
184.14186	0.7
195.13882	2.0
211.17006	0.9
235.17020	1.0
253.14528	0.5
253.18089	4.3
255.15993	1.3
269.17575	1.4
271.05865	1.7
271.19131	100.0
272.19507	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	272.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42118	0.3
54.51143	0.4
61.98830	100.0
65.97237	0.4
70.64476	0.7
70.64812	0.5
91.95658	0.3
155.53160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26432	0.2
61.98829	100.0
64.24643	0.3
69.62751	1.6
71.10313	0.3
74.57357	0.3
131.06029	0.3
170.63414	0.3
190.52191	0.3
198.90785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91271	0.6
57.03436	3.7
58.00581	1.3
59.01380	43.0
61.98812	1.5
65.01984	0.6
69.03452	5.9
71.01382	26.8
71.05023	0.8
71.52769	0.8
73.02956	5.8
81.03456	5.6
83.05038	5.3
84.02177	1.1
85.02959	0.8
85.06583	1.1
95.05021	6.6
95.12861	0.6
97.02945	4.0
97.06568	0.7
99.04519	1.0
101.06051	0.8
107.01375	1.1
108.02174	1.0
108.05802	1.2
109.02937	2.1
109.06557	2.3
109.70860	0.6
110.03741	1.3
111.04529	16.1
111.08154	3.5
113.06088	8.6
114.76957	0.7
115.04012	56.6
116.04388	0.9
119.05040	1.7
119.08674	4.1
121.06589	3.0
123.04536	1.9
125.06069	1.6
125.09689	1.8
127.03998	1.1
127.07623	1.0
129.05545	1.9
130.08727	1.7
135.08156	1.4
137.09720	14.8
137.70306	0.6
139.03975	0.7
139.07658	8.6
140.07085	0.9
141.05566	1.1
145.05066	16.0
151.00356	1.5
155.10747	1.2
157.05046	4.1
163.11215	2.2
173.13306	0.9
181.12323	3.3
183.06679	0.7
191.14407	6.9
199.13441	1.0
199.18042	1.2
209.15399	1.1
211.13199	0.7
235.13405	6.8
244.03169	1.3
253.14438	27.8
254.14781	1.4
257.05197	0.7
271.06079	1.9
271.15488	100.0
272.15875	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	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91017	1.1
56.34713	1.0
56.88639	1.0
59.01376	2.8
71.01391	2.0
71.63211	1.1
72.99310	1.8
74.02519	1.3
83.01381	1.6
86.02455	1.3
87.48465	1.1
90.08102	1.0
97.02967	1.0
98.20676	2.3
99.00875	2.6
109.06596	2.2
112.98120	1.5
112.98772	7.1
123.08191	1.5
124.57719	1.0
128.03564	3.1
142.99850	3.9
143.04613	6.6
149.06088	1.5
153.05544	3.7
166.16782	1.2
167.07083	1.7
173.00929	2.0
174.01685	100.0
175.02147	3.5
181.01685	1.3
271.08304	1.8
271.11444	2.1
271.15454	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	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23545	0.9
52.32624	0.8
52.94079	0.8
56.34593	0.8
57.03423	1.1
59.01372	5.8
61.98829	1.9
67.26080	0.8
71.01380	2.9
71.51659	1.2
72.99301	1.9
73.51579	0.9
78.23730	0.9
80.02639	1.1
83.01368	1.4
83.05037	1.1
87.00864	1.3
99.00867	5.0
108.02215	1.5
109.02934	1.6
109.06586	1.5
111.00897	1.7
112.98798	7.7
115.00374	1.6
121.06582	0.9
125.09676	3.4
142.99825	3.6
151.07689	1.1
153.05525	2.9
164.28831	0.9
165.05560	1.0
167.07141	1.6
173.00978	0.9
174.01685	100.0
175.02136	4.1
193.05040	2.5
209.11838	1.0
211.06023	1.3
227.12866	4.8
271.02396	2.8
271.07968	3.6
271.11691	3.3
271.15463	9.6
271.22845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
58.00598	8.3
59.01379	23.2
69.03450	2.2
69.53233	4.9
70.92606	0.7
71.01360	1.4
72.99297	1.1
73.02939	2.5
81.03450	0.8
83.01385	1.0
83.05011	3.9
84.02145	1.3
93.03451	0.7
95.05031	1.2
97.06593	10.3
102.87212	0.6
106.04242	1.0
109.06562	3.2
111.04539	2.0
111.08162	39.1
113.06089	9.9
119.05017	1.1
121.06590	4.0
125.06084	1.2
127.07653	5.4
128.07935	0.7
135.07190	1.2
135.08160	10.9
137.06105	4.7
137.09666	1.2
139.07645	12.8
140.11496	0.7
141.05585	7.8
143.07141	2.4
155.07137	26.1
155.08411	1.2
169.54929	0.7
173.08191	1.3
173.13321	5.1
191.14412	3.5
215.91789	0.8
235.13268	0.7
253.14438	7.8
271.02521	2.9
271.15503	100.0
272.15814	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	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.1
60.14711	0.7
63.02399	8.5
65.00322	14.4
70.75188	1.3
73.02953	0.6
79.98594	0.5
83.01384	11.3
93.03461	12.7
104.66328	0.7
107.01394	23.3
119.05026	66.4
120.05382	1.8
121.02998	0.7
125.02468	1.0
145.02980	1.2
147.69527	0.6
151.00371	69.5
152.00705	1.9
161.06058	1.2
165.01926	3.0
169.01401	1.9
177.01926	9.9
185.06064	0.7
187.04027	2.1
225.30013	0.8
227.07036	1.0
230.70599	0.6
242.66699	0.7
271.06119	100.0
271.22800	0.8
272.06458	5.2
285.00830	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23142	0.6
59.01387	4.4
61.98807	2.4
65.00323	1.1
65.45785	0.8
71.01388	1.4
71.07034	1.1
76.35573	0.6
81.03469	0.7
84.94000	0.6
85.02966	0.7
87.97367	0.7
93.03436	2.4
99.00824	0.6
108.02119	0.9
109.02969	0.5
111.04549	0.7
115.02719	0.6
115.05539	0.6
117.03471	1.1
129.09248	1.1
133.02960	0.7
139.07651	0.7
141.05585	1.6
143.05026	12.0
145.03067	0.6
155.05090	0.8
157.06567	2.1
159.08159	1.9
167.04993	4.2
169.06607	1.5
180.05766	3.0
181.06560	5.0
182.07307	1.2
183.04478	2.9
183.08174	3.9
185.04530	1.1
185.06088	13.8
186.06285	0.8
197.06079	4.0
197.11896	3.0
208.05249	5.5
209.06079	13.8
211.03990	4.0
212.04807	1.6
224.04700	1.0
225.05591	12.1
227.07137	46.1
228.07474	2.5
235.04073	1.2
252.04346	1.8
253.05057	100.0
254.05412	5.4
271.06113	70.3
271.10855	2.6
271.15472	7.7
271.18768	1.4
271.22745	1.3
272.06375	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	270.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	6.1
59.01380	85.3
61.98828	13.1
70.98290	10.7
73.79212	4.7
90.41376	4.4
97.02948	20.4
99.04508	7.9
108.04523	25.5
109.02952	70.9
110.02474	76.5
111.03301	6.0
112.04026	6.5
123.04482	8.2
123.08181	29.8
124.00735	17.4
125.02388	11.4
127.04000	11.0
136.00568	4.7
138.09196	5.8
148.07686	95.5
150.05608	8.8
151.06358	21.7
153.02011	4.7
165.22827	4.2
166.08725	62.6
167.68520	4.5
174.01660	8.3
180.68871	4.5
192.06654	100.0
210.07631	35.6
216.51459	5.1
283.59637	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
59.01381	11.7
60.05983	0.6
61.98853	0.6
64.32645	0.6
65.03963	2.7
67.09583	0.5
67.36155	0.6
69.40401	2.0
69.40839	2.7
71.01035	0.7
71.01370	3.1
71.35970	0.6
72.99303	1.0
79.96649	0.6
81.03468	4.7
83.01391	1.1
83.05039	1.3
88.04034	1.0
89.02427	4.2
93.03447	1.8
93.31838	0.6
94.08636	0.6
95.05048	1.8
98.19807	1.0
99.00885	9.7
99.04522	17.9
108.02197	0.9
109.02954	100.0
110.03292	2.2
111.04514	0.8
115.00369	1.3
117.01926	8.4
123.04522	1.9
125.02454	21.9
127.03072	0.8
127.04014	14.7
137.02425	1.0
139.04015	3.6
145.01447	2.9
153.01941	4.9
167.03497	8.0
171.03001	3.0
174.01707	11.3
193.01427	3.7
211.02501	1.8
271.04599	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	271.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43449	0.6
55.01878	1.6
59.01377	12.1
65.03960	3.9
69.13084	0.6
71.01371	2.2
71.20947	0.8
72.99321	1.5
79.24552	0.6
80.02676	0.7
81.03448	5.3
83.05014	2.0
88.35416	0.6
89.02424	3.3
90.80090	0.6
93.03452	1.6
95.05030	2.7
97.02936	1.0
99.00877	8.5
99.04519	17.7
108.02187	1.4
109.02949	100.0
110.03290	2.3
111.04512	2.1
115.00370	1.3
117.01949	9.0
123.04556	1.7
125.02449	20.7
125.05974	0.9
127.04015	17.3
137.02437	1.2
137.06122	1.0
139.04027	3.2
142.99821	1.6
145.01448	1.8
153.01926	5.8
167.03517	8.0
171.03021	2.6
174.01677	8.8
174.57408	0.6
178.14656	0.6
193.01387	3.5
195.62770	0.6
199.06277	0.8
211.02460	1.6
271.04608	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	269.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.2
59.01379	100.0
64.47549	0.6
64.78506	0.7
69.74427	3.8
87.00859	0.9
87.04557	0.7
97.06608	0.9
99.04540	3.9
109.06600	2.4
116.06808	0.6
121.06619	0.9
136.79565	0.6
152.39174	0.7
163.11273	1.5
165.12849	13.6
166.13242	0.7
181.12364	1.2
189.12863	1.4
191.10777	1.5
196.51825	0.7
207.13895	23.6
208.14337	1.1
209.11827	25.1
210.12129	0.9
215.27354	0.7
225.14958	13.9
229.91824	0.7
240.68237	0.7
251.12897	9.0
269.13922	90.2
270.14285	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	269.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79973	0.4
57.03446	4.1
59.01381	0.9
61.14165	0.3
67.58486	0.3
68.20537	0.3
69.32334	2.8
71.01382	1.3
71.05018	3.5
72.02174	1.9
73.02951	0.6
73.69458	0.3
84.48366	0.4
85.02929	1.7
87.04511	100.0
88.04855	1.5
99.04516	5.2
101.06087	1.1
121.10287	0.5
123.08112	0.7
125.09741	0.7
137.09702	1.6
142.27740	0.3
181.12375	0.5
189.16461	1.1
196.54712	0.4
196.56450	0.4
207.17542	7.6
208.17828	0.6
209.15451	1.3
223.17009	0.6
225.15028	0.6
225.18565	0.5
226.61754	0.3
230.29109	0.3
251.16573	0.7
269.04584	3.1
269.17557	65.6
270.17892	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	269.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95261	0.2
55.16664	0.2
57.03449	3.4
59.01378	0.6
59.98525	0.4
64.02222	0.2
69.29987	1.7
69.30386	0.6
71.01385	0.7
71.05020	3.5
72.02174	1.8
83.05032	0.3
85.02959	1.5
87.04514	100.0
88.04862	1.1
92.64503	0.3
95.05006	0.5
98.03709	0.3
99.04519	4.8
101.06089	0.6
110.89706	0.2
123.08181	0.4
125.09735	0.6
137.09700	1.6
157.75261	0.3
166.33490	0.3
167.41147	0.3
181.12367	0.4
189.16512	1.3
191.14453	0.4
207.17529	7.6
208.17880	0.5
209.15401	1.4
223.17018	0.5
225.18686	0.3
247.04149	0.3
251.16461	0.5
269.17569	64.1
270.17883	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	267.1601
Annotation	Altiloxin A
Peak:m/z	Relative Intensity
58.26344	0.5
59.01372	2.5
61.98821	1.2
64.69049	0.5
69.28488	1.1
69.28896	3.3
71.01368	0.9
73.02953	5.8
83.05053	1.0
84.50919	0.5
85.02950	0.5
89.02452	0.5
97.06577	1.0
104.65949	0.5
137.09657	1.1
148.64986	0.6
174.55835	0.5
187.14885	0.8
201.12927	0.5
205.15976	4.4
223.17026	100.0
224.17339	4.7
231.13907	2.3
249.14928	6.7
267.10645	1.7
267.16003	44.3
268.16373	2.1
280.36115	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03426	0.4
50.76852	0.4
58.52009	0.5
61.98830	100.0
66.65868	0.5
71.07257	1.0
72.99342	0.6
74.28608	0.5
75.99133	0.5
89.13885	0.5
137.05888	0.7
146.54729	0.5
153.17691	0.5
199.90575	0.5
222.91316	0.6
264.95187	0.6
269.06778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85052	0.4
59.01373	0.4
59.71923	0.4
61.98830	100.0
70.09444	1.2
74.74010	0.4
75.00130	0.4
92.92826	0.5
94.25737	0.4
99.00905	0.5
103.00381	0.9
119.94714	1.8
135.92033	0.5
142.16171	0.5
142.99896	0.7
148.91040	0.4
168.49007	0.4
187.97923	1.3
193.03696	0.5
205.98878	0.5
213.00073	1.4
214.99870	1.1
230.02852	0.5
268.00284	0.6
269.07288	0.4
289.97787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0455
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.93092	0.1
57.03439	0.2
59.01352	0.2
63.02401	1.5
65.00321	3.4
71.05006	0.2
77.14831	0.1
79.01914	0.2
81.03432	0.2
83.01385	1.6
85.02961	0.2
87.04514	6.3
93.03465	0.4
98.19930	0.3
99.04482	0.2
105.03442	1.1
107.01395	6.3
108.01749	0.2
111.14825	0.1
117.03465	22.7
118.03764	0.7
121.02955	1.6
129.60637	0.2
148.01567	0.1
149.02435	9.1
150.02803	0.2
151.00369	10.6
152.00732	0.3
157.06543	0.3
159.04541	1.7
169.06587	0.4
180.05803	0.7
181.06610	1.5
182.03783	0.2
183.04489	1.7
185.02397	0.5
196.05280	0.2
197.05923	0.7
201.05591	2.1
202.05905	0.1
207.17603	0.3
213.05470	0.3
224.04720	0.5
225.05559	4.3
225.14915	0.3
227.03484	1.8
241.05029	0.3
269.04547	100.0
269.17554	4.2
270.04898	5.9
270.07016	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.16
Annotation	Altiloxin A
Peak:m/z	Relative Intensity
54.60440	0.8
57.03456	11.5
59.01390	6.2
61.98812	0.8
69.26630	8.5
85.02953	56.0
86.03735	9.6
95.05017	1.0
96.14580	0.8
99.04521	13.1
101.06073	5.6
107.36137	0.8
108.27692	0.8
114.98373	1.0
118.02686	1.6
124.93703	0.9
131.11598	0.9
163.11285	1.0
179.14432	6.2
181.12396	0.9
205.15964	2.2
223.13605	1.3
223.17030	33.2
224.17259	1.6
265.06781	1.0
267.16010	100.0
268.16425	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	267.16
Annotation	Canusesnol B
Peak:m/z	Relative Intensity
52.10234	2.3
57.03443	3.4
58.04566	2.3
59.01377	18.0
62.62148	2.3
64.28823	2.3
71.01353	3.2
71.05026	3.4
72.67516	2.1
72.86938	2.3
80.16803	2.2
81.03457	3.3
83.05015	4.8
83.72505	2.1
85.02939	3.8
87.04517	8.9
97.06572	7.6
99.04524	47.9
100.04826	3.0
109.06580	15.6
115.69242	2.3
123.08132	2.4
135.11774	2.4
135.74274	2.1
165.12840	23.8
193.12320	2.8
205.16074	3.9
209.11823	11.4
249.14915	5.2
267.12439	7.9
267.15970	100.0
268.16333	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	266.1033
Annotation	2-Hydroxyethyl gardenamide A
Peak:m/z	Relative Intensity
57.03433	0.7
64.13365	0.6
70.92061	0.7
72.04546	4.8
75.00874	0.7
82.02982	65.5
83.03323	0.7
83.67513	0.6
84.04539	1.0
85.02945	8.6
98.02484	2.3
98.19931	1.4
98.47319	0.6
100.04041	35.2
101.02442	2.9
102.05598	0.9
105.01946	1.3
105.09850	0.6
107.05042	0.8
119.04155	1.5
119.05022	30.0
120.05347	1.7
121.55112	0.6
128.03528	14.0
129.01941	6.1
136.07712	1.0
136.97478	0.6
149.31181	0.7
161.02394	0.7
189.05214	0.6
192.10272	1.6
200.24945	0.7
200.64093	0.7
210.66663	0.6
213.56409	0.6
220.09779	36.0
221.10066	2.0
248.09259	18.8
266.10312	100.0
267.10712	3.1
277.34543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41288	0.7
57.03442	2.1
59.01379	100.0
60.01706	1.2
64.03104	0.7
71.05018	2.4
79.95732	4.0
81.29468	0.7
83.05035	1.4
87.00889	1.8
89.88007	0.7
97.06591	1.0
98.19904	2.5
99.04530	3.3
140.93179	1.8
161.13348	3.3
163.11256	1.9
187.11314	1.2
207.10182	2.0
223.13382	56.9
224.13754	2.9
236.09549	4.2
249.11380	1.1
267.12271	7.2
267.15952	2.3
268.06842	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	267.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41288	0.7
57.03442	2.1
59.01379	100.0
60.01706	1.2
64.03104	0.7
71.05018	2.4
79.95732	4.0
81.29468	0.7
83.05035	1.4
87.00889	1.8
89.88007	0.7
97.06591	1.0
98.19904	2.5
99.04530	3.3
140.93179	1.8
161.13348	3.3
163.11256	1.9
187.11314	1.2
207.10182	2.0
223.13382	56.9
224.13754	2.9
236.09549	4.2
249.11380	1.1
267.12271	7.2
267.15952	2.3
268.06842	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	267.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	4.0
57.83352	0.5
59.01378	100.0
70.26870	1.9
71.01399	0.5
71.05013	2.9
73.02946	0.7
83.05022	2.1
85.02954	5.6
86.03781	0.9
86.34209	0.6
87.00893	2.6
96.05981	0.6
99.04531	2.2
121.03020	0.7
134.03760	2.6
137.04327	1.7
161.13400	2.5
163.11307	2.7
179.10767	0.9
179.14450	1.1
181.12379	0.7
187.11302	0.9
205.12366	1.1
207.10347	2.5
207.95964	0.6
223.13385	57.8
223.17093	3.8
224.13637	3.0
249.14897	0.7
267.06702	6.9
267.10175	3.0
267.12482	6.6
267.16095	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
65.32234	0.3
69.16888	2.2
72.96864	0.2
73.04619	0.2
79.95719	2.3
90.59692	0.2
95.95248	0.4
96.96011	100.0
165.02957	0.2
173.80461	0.3
185.29747	0.2
198.83264	0.2
265.14767	87.4
266.15109	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1808
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
56.21217	1.7
59.01383	14.2
59.46139	1.6
59.56702	1.5
60.30899	1.8
68.69015	1.8
71.01383	3.2
71.52454	2.9
73.03024	1.5
74.60160	1.5
79.41650	1.5
85.02947	2.1
87.34412	1.6
96.95989	6.8
103.74883	1.7
112.98550	1.9
145.02948	2.9
151.11212	3.1
162.01862	1.8
163.03970	2.0
167.10773	25.5
168.11169	1.7
195.10245	8.1
247.17039	14.7
265.14771	11.7
265.18066	100.0
266.18405	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	265.2172
Annotation	Hydroprene
Peak:m/z	Relative Intensity
59.01369	1.6
68.99557	0.7
70.57760	0.8
70.58095	0.9
92.04259	0.5
96.95377	0.9
96.96008	16.1
102.05881	0.4
112.98557	0.8
137.34521	0.4
138.87782	0.4
257.97626	0.4
265.14844	12.7
265.21707	100.0
266.15128	0.7
266.22070	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1444
Annotation	Lejeuneapinguisanolide
Peak:m/z	Relative Intensity
59.01377	47.1
61.98819	0.8
63.14066	0.6
66.99111	0.7
71.04469	0.8
71.11802	1.3
72.99315	0.8
78.95896	2.0
84.02148	0.9
88.14062	0.8
96.96027	1.3
98.86504	0.7
99.04517	1.8
99.71431	0.7
99.92556	0.8
101.02421	0.7
103.03983	1.0
107.05013	0.6
112.39201	0.8
116.92841	1.0
119.04993	1.1
145.02945	0.9
147.02338	0.7
161.13336	1.6
162.66061	0.7
163.04095	0.8
177.12743	1.1
189.63770	0.8
205.12328	14.0
206.12907	0.7
221.15471	4.8
223.13380	100.0
224.13686	5.1
247.13374	1.5
252.71080	0.7
265.09207	0.9
265.14417	18.0
266.14569	1.0
267.98563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1444
Annotation	Fascicularone B
Peak:m/z	Relative Intensity
59.01384	13.4
59.98488	2.0
61.98822	3.0
70.69744	3.6
71.01395	2.7
78.81202	1.9
78.95905	2.2
85.02943	2.0
85.24110	1.8
91.32175	1.8
96.95997	3.5
99.04521	33.6
102.97224	1.7
119.04971	2.3
137.09679	2.0
145.02979	2.8
163.04102	1.7
167.10757	2.2
203.14445	15.5
215.84340	1.7
221.15459	100.0
222.15802	5.0
223.13458	2.2
247.13361	8.2
251.76009	1.9
265.14441	70.4
265.17807	3.6
266.14752	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	265.1192
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
54.02750	0.6
56.45117	0.8
56.63533	0.7
57.24148	0.7
58.02975	1.6
59.01373	1.4
69.14495	5.0
69.14902	1.3
70.02966	0.9
71.01384	1.4
72.00915	1.6
73.04067	12.2
74.02463	4.8
82.03015	3.6
84.04543	5.9
85.02940	1.1
86.02471	1.9
96.25141	0.6
98.20641	1.7
99.05668	1.6
101.02470	1.0
101.07198	9.3
101.57951	0.6
109.04071	5.5
119.05027	9.9
127.05135	56.4
128.03557	8.1
128.05473	1.0
133.48856	0.6
136.07710	2.1
145.02933	1.6
145.06187	0.7
147.04503	2.3
163.03931	1.6
164.07175	7.0
185.38135	0.6
190.08734	2.2
191.07175	0.7
217.05167	0.7
219.11382	2.1
221.09340	9.0
221.12901	4.4
247.10873	18.9
248.11150	0.7
265.11905	100.0
266.12512	4.8
266.14841	1.1
267.68881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29650	0.4
58.00615	0.6
58.99632	0.5
59.01378	11.1
59.01653	0.8
60.67759	0.5
61.18344	0.4
67.61057	0.5
71.01380	8.5
71.51685	0.8
73.02959	0.6
75.00919	0.6
87.00900	2.0
89.02462	1.6
93.03484	0.8
101.02447	1.3
105.03476	1.5
106.04240	0.6
108.02174	0.9
111.00889	1.3
117.03462	12.5
117.89685	0.5
119.05028	26.6
120.05364	0.6
121.02955	2.7
123.04546	1.2
129.09207	2.2
131.05020	0.7
132.02179	18.2
132.05803	2.1
133.02971	10.3
133.06598	9.5
134.03748	8.3
135.04509	1.4
136.01665	5.6
137.02480	2.7
145.02954	53.6
146.03358	1.4
147.04527	10.4
148.05336	2.5
149.02246	0.5
149.06068	4.0
150.03183	0.6
150.04279	0.6
151.04031	3.5
153.05562	2.4
154.24568	0.5
159.04431	0.7
160.01659	91.2
161.01984	2.9
161.06078	21.4
162.03262	0.9
162.06674	1.0
163.04008	15.8
164.04807	1.0
171.99324	0.5
174.03203	4.5
175.03996	100.0
176.04774	25.6
177.01923	3.3
177.05409	1.7
177.09538	80.6
178.02733	3.0
178.09831	2.1
187.03987	2.6
188.04756	0.6
189.05519	2.0
190.06314	2.5
191.07137	43.2
192.04291	4.7
192.07495	2.4
193.05042	6.5
202.02692	9.4
203.03232	0.6
203.07132	0.7
203.61508	0.4
205.03078	0.8
205.05043	19.8
206.05794	7.8
207.06584	3.5
217.05043	43.0
218.05434	1.8
221.08183	25.2
222.08461	1.1
235.06105	4.1
247.06169	0.9
250.04868	2.3
265.07123	34.3
265.11090	54.3
266.07306	1.6
266.11438	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	265.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74591	0.2
53.14741	0.2
57.84140	0.2
58.28857	0.2
59.01385	4.2
59.69840	0.3
59.84198	0.2
62.98112	0.2
71.01384	1.0
71.51520	0.4
72.04548	0.7
72.99318	0.6
77.96295	0.2
82.02982	11.2
83.01395	0.4
85.02956	1.1
89.02456	0.4
93.03453	0.4
98.02493	0.4
100.04043	7.0
100.18842	0.2
101.02449	1.5
103.03980	0.4
106.04262	0.3
117.03471	9.8
119.05028	100.0
120.05348	2.3
120.99678	0.4
121.02953	0.7
128.03529	3.1
129.01993	1.3
131.05058	0.3
132.02185	1.1
132.05797	0.5
133.02943	0.5
133.06606	2.3
134.03697	0.3
136.01607	0.2
143.05022	0.4
145.02953	33.6
146.03282	1.1
147.04494	0.7
159.04501	0.9
160.01656	2.8
161.06094	3.9
163.04008	78.1
164.04329	2.4
173.06068	0.9
175.03992	3.8
176.04721	1.0
177.05675	1.0
187.03975	3.1
191.07118	2.2
192.10388	0.4
202.02756	0.4
204.10332	0.4
205.05040	2.3
206.05847	0.4
217.05038	1.7
220.09789	5.9
221.08150	0.7
247.06114	0.9
248.09242	3.5
265.07138	7.8
265.11896	0.9
266.10315	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	264.98
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
61.98827	28.6
70.53189	1.2
71.01392	1.0
73.02952	1.3
75.00868	0.8
85.02940	0.7
87.00871	2.1
89.02436	0.7
92.92767	0.5
93.26028	0.4
101.02451	0.5
103.00379	2.4
103.98417	1.9
105.01929	0.8
105.26289	0.4
110.89971	0.4
111.00877	2.9
112.89637	0.5
113.02397	0.4
114.00470	0.5
117.01949	3.6
119.97923	1.1
127.05177	0.9
129.99994	0.8
130.88959	0.5
145.99461	1.9
148.94968	0.9
157.99469	6.4
160.93144	0.6
164.96378	1.6
165.01921	1.5
165.04004	3.8
173.98970	0.9
176.00502	64.6
177.00639	3.2
178.94266	0.5
185.98077	1.1
187.97849	0.5
190.94278	4.4
190.96060	1.2
191.01955	2.5
191.05679	0.6
201.98425	100.0
202.98557	4.7
212.99991	2.2
231.00966	0.4
264.56390	0.4
265.09094	0.9
265.11935	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0715
Annotation	Diaportinol
Peak:m/z	Relative Intensity
57.28057	0.2
58.00589	0.4
59.01378	6.8
63.07870	0.2
69.13601	2.1
71.01382	7.2
72.99304	0.5
73.02938	0.3
75.00868	0.4
85.02949	0.3
86.53345	0.2
87.00907	0.4
89.02443	0.8
91.80195	0.2
93.03471	0.6
95.01406	0.4
95.05025	0.3
98.19950	0.6
101.02433	0.8
103.05514	0.4
105.03460	1.3
108.02171	0.6
111.00875	0.8
117.03461	6.3
118.29787	0.2
119.05023	13.6
121.02947	2.0
123.04533	0.9
129.09123	0.6
131.05045	0.4
132.02170	18.7
132.05801	1.1
133.02975	10.0
133.06593	3.0
134.03748	7.7
134.33913	0.2
135.04500	0.9
136.00601	0.3
136.01659	5.4
137.02484	1.8
145.02951	21.7
146.03461	1.0
147.04518	11.3
148.05313	2.4
149.02428	0.6
149.06099	4.2
150.03131	0.3
150.04179	0.4
150.06381	0.3
151.04004	3.4
153.05563	3.4
155.56366	0.2
159.04532	0.8
160.01656	89.7
161.01979	2.7
161.06076	8.6
162.03171	0.6
162.06851	0.8
163.04001	7.5
164.04710	0.8
165.05475	0.3
173.02406	0.3
174.03220	5.6
175.03993	100.0
176.04765	26.1
177.01927	3.1
177.05310	1.3
177.09532	17.9
178.02672	3.7
178.09888	0.6
179.03305	0.3
187.04010	1.1
188.04819	0.4
189.05571	1.8
190.06360	2.7
191.07129	43.2
192.04271	5.0
192.07410	1.7
193.05040	6.3
202.02713	10.1
203.03131	0.6
203.07175	0.7
205.05046	8.6
206.05806	7.6
207.06615	3.3
217.05043	45.6
218.05421	2.1
221.08174	22.4
222.08549	1.1
235.06126	3.6
247.06183	1.2
250.04810	1.1
265.07150	22.4
265.11121	11.2
266.07608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
53.85381	0.4
59.01384	2.5
61.98816	0.7
71.01384	0.8
76.48085	0.4
79.92632	0.4
98.19869	0.9
112.98558	0.6
145.82990	0.5
154.90730	0.4
209.51875	0.5
219.21210	0.7
233.09193	0.5
245.19061	0.4
261.18515	0.6
263.20142	100.0
264.20480	6.1
264.22995	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	263.8912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27375	0.6
59.01372	1.3
61.98830	100.0
71.01410	0.7
71.50136	0.9
72.04546	1.7
72.99287	0.8
73.02953	1.3
82.02984	7.9
83.65703	0.6
84.04558	0.6
85.02986	0.6
87.00890	0.7
87.12251	0.5
98.02464	3.6
100.04046	3.7
103.00378	1.0
111.00868	2.7
117.01939	1.6
117.03831	0.6
118.04005	0.5
119.05029	2.7
134.04753	1.6
134.34807	0.5
138.67030	0.5
148.94919	0.7
153.35625	0.6
157.99469	1.6
160.84256	0.6
160.93256	0.8
162.93987	17.9
163.06120	0.7
173.99150	0.7
176.00507	19.8
179.05618	2.2
190.94328	2.7
190.95946	0.8
191.01958	1.8
192.10213	0.7
201.98428	28.6
218.08208	0.7
220.09877	2.0
226.07297	0.6
264.03281	2.4
264.08688	5.8
264.11053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0876
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
54.45220	0.8
56.75310	0.8
59.01376	3.9
70.02979	1.7
70.65586	1.8
71.01378	2.0
72.04549	21.1
82.02985	100.0
82.47072	0.8
83.01375	1.2
83.03310	1.8
85.02923	1.1
89.02425	1.0
98.02481	31.5
100.04047	41.0
101.02435	1.6
107.05032	1.2
108.02131	0.8
108.06869	0.8
119.05029	43.9
123.74184	0.7
133.01530	1.6
136.07675	1.4
145.02951	3.1
150.04201	5.2
160.01634	2.1
161.04558	1.0
163.03973	2.1
166.05000	1.0
175.04013	1.9
177.05563	0.8
190.08847	0.8
191.07018	0.8
192.10252	7.3
217.04979	1.0
218.08200	11.3
220.09784	21.9
220.29007	0.9
221.10017	1.4
236.09175	1.0
264.08765	75.4
265.09122	3.6
265.11661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01784	0.7
59.01380	100.0
60.01723	1.0
67.79806	0.7
71.01382	1.5
71.51943	1.0
73.02986	1.3
73.43211	0.7
82.12262	0.6
85.02955	0.8
101.02453	1.1
103.33844	1.1
138.06918	0.8
139.07678	1.5
151.07631	2.8
152.08441	0.9
152.97258	0.7
155.74892	0.9
171.32137	0.8
201.12910	1.5
203.10826	1.6
204.11542	3.1
219.13858	5.3
263.12952	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50396	0.6
59.01379	18.9
65.79980	0.5
69.65514	2.6
71.01385	7.9
72.04547	1.2
72.99326	0.7
73.70547	0.5
75.00868	1.3
82.02987	4.1
83.01415	0.5
85.02946	1.9
87.04515	41.3
89.02438	2.5
98.02467	1.2
99.04485	1.1
100.04093	1.3
101.02415	1.2
101.06082	24.9
102.06439	0.7
103.00374	100.0
104.00743	1.1
113.02460	1.7
117.03691	0.5
119.05015	1.7
120.99583	0.6
124.36633	0.6
125.02452	2.4
129.05550	3.1
169.83701	0.6
177.09523	0.7
188.07010	0.7
220.09793	0.9
222.74049	0.6
232.06142	0.7
263.07755	9.5
264.08752	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	263.1288
Annotation	Ivangulinic acid
Peak:m/z	Relative Intensity
57.03444	3.1
58.31242	1.7
59.01374	10.1
61.76793	1.5
70.04665	3.8
70.05051	4.3
71.01360	6.0
73.27395	1.8
83.05003	4.3
95.05014	2.9
97.02940	12.3
98.20007	2.0
103.41093	2.0
105.07117	3.3
107.05033	1.8
108.05789	7.1
109.02947	6.6
109.06576	4.1
111.04510	14.4
111.08131	2.6
113.06072	11.7
119.08657	5.0
121.06581	3.6
122.03020	2.0
122.03743	18.2
123.08184	10.8
125.06081	22.2
125.09691	2.1
135.08167	2.3
136.05305	16.4
137.06117	9.1
138.06863	22.5
139.07660	44.7
148.05360	9.8
149.06036	5.1
151.07651	84.9
152.04816	10.8
152.07289	2.5
152.08432	43.0
153.09230	13.1
159.11794	5.1
161.09669	8.8
163.07643	18.0
167.07104	4.9
170.05820	2.3
175.07652	2.8
185.09523	1.8
186.10526	2.9
189.09167	6.2
201.12840	31.0
203.10777	27.3
204.11540	75.9
205.11819	2.4
219.13889	100.0
220.14214	4.8
263.12830	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1342
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
58.00585	1.2
58.02948	1.8
59.01377	26.5
60.77021	1.2
62.25264	1.0
62.30684	1.0
70.02967	3.0
71.50936	0.9
72.04549	1.6
73.02945	1.2
74.02474	37.4
77.29762	1.1
79.28496	1.0
86.02481	1.4
87.00850	1.0
91.16972	1.0
98.02480	9.0
99.00865	1.9
116.03536	19.5
125.09713	6.4
127.11295	6.8
128.03510	3.5
132.04543	11.9
137.09639	1.0
139.11261	1.2
140.10963	1.1
144.04523	4.5
155.10756	3.5
157.12323	1.2
163.11240	1.9
165.09186	1.8
170.85165	1.1
171.10237	3.5
181.12320	6.8
199.09724	1.7
199.13370	11.8
201.06638	3.8
201.11313	100.0
202.11659	3.9
207.10268	8.7
215.12880	2.4
217.14458	4.8
218.08278	1.1
219.07771	1.7
225.11317	24.0
243.12373	23.0
261.09195	12.6
261.13403	87.1
262.13788	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	262.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	13.1
59.01361	9.7
59.03305	3.9
61.98826	52.5
70.02968	3.5
71.01379	4.5
71.49609	2.6
72.99286	7.0
74.02470	29.5
75.02808	3.8
84.04540	18.5
85.02976	3.6
85.04878	7.7
86.02476	5.0
87.00854	5.8
87.02784	2.5
87.11501	2.5
89.02436	4.0
92.05078	12.9
92.84573	2.5
93.03448	3.4
93.05387	7.3
94.03787	5.9
96.00913	3.2
98.02467	10.8
99.00869	3.1
99.02800	5.8
101.02438	3.7
103.92042	5.2
108.90174	3.2
109.51947	2.4
110.02464	2.9
110.69252	2.4
110.89919	26.2
111.00871	15.6
112.01223	6.4
112.89640	15.7
112.98772	6.0
113.02514	4.1
113.90171	2.4
113.99179	5.1
116.03529	11.8
117.03864	3.7
119.04979	4.0
119.06927	2.6
120.05378	7.1
125.02453	6.3
127.87046	3.4
128.03532	48.0
129.03894	28.5
129.86766	3.4
130.02298	4.4
131.03781	25.6
131.06958	8.7
132.04486	39.3
133.04918	73.6
134.04726	19.8
134.06175	3.0
135.04488	2.8
136.04884	5.0
136.07600	3.0
141.05374	4.6
143.03473	4.1
144.04527	8.6
145.04901	14.7
147.06586	4.9
157.07690	6.9
158.06111	7.3
158.08063	20.3
159.06454	23.3
161.04485	6.2
161.85675	5.9
164.04359	7.4
164.07094	5.1
174.01157	3.9
175.08701	5.7
176.09166	16.3
178.05074	5.3
181.04997	3.3
182.05400	12.6
188.05701	3.2
200.00992	3.0
200.09079	8.2
202.06973	7.9
218.10106	9.1
219.07819	3.6
220.08073	24.5
226.07156	6.9
244.08032	7.6
262.01190	19.9
262.09116	100.0
263.00494	3.6
263.05862	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	261.113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72567	1.5
59.01371	3.2
60.32164	1.9
61.98817	2.7
71.08965	2.6
71.09322	3.1
74.02469	5.5
83.04994	1.4
86.79461	1.9
89.77510	1.3
93.03416	1.8
95.01379	2.3
99.92623	1.4
109.02958	2.8
115.92068	4.2
116.92802	3.4
117.26084	1.5
119.05026	32.4
121.02998	7.8
125.09702	4.1
132.02180	11.6
133.02968	11.6
134.03760	2.1
134.89513	1.6
136.01665	58.2
137.02458	10.2
147.04535	37.7
151.03987	6.1
153.04335	2.3
153.05571	37.3
163.04002	4.4
164.04736	5.0
166.95900	2.7
187.09718	2.9
192.04283	100.0
193.04604	5.1
197.90178	1.8
214.92809	2.7
217.12479	1.9
261.11316	7.1
261.14856	2.3
261.22110	1.9
266.74506	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	261.0879
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
58.02971	19.5
59.01370	4.0
61.21833	1.2
69.76870	5.1
70.02983	6.0
72.04546	2.8
74.02473	59.0
74.36640	1.3
82.77211	1.2
84.04549	10.0
86.02478	2.7
92.05048	8.0
93.29863	1.1
98.02479	18.8
110.02486	2.7
116.03538	31.9
116.05051	2.2
118.02976	1.6
118.06644	1.4
120.04507	1.7
128.03546	29.9
130.06610	4.3
131.03769	44.6
132.04555	55.9
140.05035	2.7
144.04549	14.7
146.06108	3.9
146.78403	1.3
149.78818	1.2
157.07703	21.2
158.06110	27.0
173.71097	1.2
175.08757	25.1
175.10170	2.1
176.76663	1.1
189.06750	3.1
199.08725	5.0
201.06720	11.9
212.94698	1.1
217.09875	8.2
219.05608	1.4
219.07732	29.2
243.07762	4.3
261.08774	100.0
262.09134	4.5
283.43964	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
57.44792	0.6
58.02715	1.2
58.02977	17.2
59.01369	3.4
61.22005	0.8
61.98825	7.7
67.01883	0.9
70.02966	2.6
71.01374	5.2
72.00895	1.0
72.04552	0.9
72.99302	5.8
73.02930	1.3
74.02476	24.4
75.00877	1.2
76.31571	0.7
78.86069	0.8
78.95889	2.7
79.95741	2.7
80.91673	4.0
83.01378	2.4
84.04546	20.5
85.02958	2.4
86.02471	5.3
87.00871	2.7
89.02419	0.9
92.04526	1.2
92.05058	13.0
93.03459	6.6
96.00929	1.2
96.96030	1.0
98.02486	15.7
99.00866	6.7
99.04478	0.8
108.01115	0.9
108.90195	2.1
110.02512	5.3
110.89915	6.1
111.00883	9.2
112.89659	1.5
112.98815	13.8
115.00392	1.5
116.03539	15.2
116.05042	1.1
117.01891	0.9
118.02979	4.4
118.06605	2.3
119.05013	12.3
120.04530	3.7
120.99664	1.0
128.03543	60.5
129.01961	3.9
130.06610	5.9
131.03766	53.8
132.04561	100.0
133.04869	3.0
134.04710	2.2
134.06111	1.2
135.04532	7.7
136.07799	0.8
140.05092	5.0
143.03467	2.2
144.04550	20.2
145.06241	1.5
146.02403	1.1
146.06090	3.4
155.27542	0.8
157.07710	23.1
158.06111	28.3
160.04114	1.5
163.04002	11.2
164.07114	1.1
166.95982	6.3
173.00952	4.0
175.08752	20.4
181.05074	24.0
182.05421	0.9
184.03923	1.1
188.05516	0.8
189.06641	1.9
190.81438	0.7
197.90291	1.1
199.00650	5.9
199.08771	6.9
201.06721	6.3
205.03470	1.2
207.07681	0.8
215.00163	3.6
217.09836	7.8
219.07722	22.4
220.07957	1.1
225.04938	1.2
242.89700	1.8
243.07774	7.5
260.94812	1.1
261.00732	34.5
261.08777	70.0
262.01050	1.7
262.09146	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	261.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.0
57.03440	1.1
58.02973	6.7
59.01379	5.2
65.28472	0.8
65.57320	0.7
70.02974	2.9
71.51127	0.9
71.51508	1.2
72.04549	1.3
72.99306	12.2
74.02476	30.7
75.00885	1.9
79.88223	0.8
79.95734	5.3
80.96534	1.3
81.03461	1.6
83.05025	2.2
84.04544	3.2
86.02512	0.9
87.00844	1.2
87.02735	1.5
92.05068	2.5
93.03456	21.0
96.96022	2.4
97.06557	1.0
98.02478	9.1
101.02458	1.2
107.05042	1.7
110.02489	1.9
110.43946	0.8
113.03577	1.5
116.03545	17.8
118.06599	1.0
119.05030	39.3
123.04449	0.9
126.04359	4.7
128.03555	8.8
129.01929	0.9
130.06624	2.0
131.01738	1.1
131.03775	13.7
132.03558	1.2
132.04550	23.4
132.05511	1.7
134.03754	0.9
135.04529	24.8
140.05084	0.8
144.04527	5.5
146.06126	1.5
148.07724	0.9
157.07697	7.3
158.06158	8.5
163.04019	33.6
164.04388	1.4
175.08772	10.3
181.05072	79.2
182.05394	1.4
189.06737	1.7
199.00725	13.7
199.08833	1.9
200.07211	0.9
201.06705	3.7
213.12469	2.9
215.00211	6.4
217.09819	2.6
219.07753	8.7
243.07686	1.9
261.00735	100.0
261.08844	35.6
261.13007	7.8
262.00983	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	261.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27066	0.7
58.02971	3.9
59.01368	3.8
70.02978	10.6
71.24157	0.9
72.04549	3.8
74.02473	100.0
84.04553	1.9
86.02486	1.1
92.05057	1.4
98.02475	24.6
116.03538	59.6
117.03849	1.0
118.06613	0.9
128.03535	10.6
131.03770	7.2
131.04704	0.9
131.05077	0.7
132.04556	35.8
144.04553	8.9
145.06572	2.7
157.07677	3.3
158.06122	6.0
173.07245	1.2
175.08778	4.5
199.08838	0.8
201.06700	14.0
202.07019	0.8
217.09808	2.4
219.07722	7.7
243.07788	1.9
261.04276	11.2
261.08771	45.6
262.09100	2.3
282.48569	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0074
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
54.25527	0.5
57.03453	0.6
58.02975	3.5
59.01388	4.3
70.02983	3.1
70.78758	1.6
71.01384	1.6
72.04555	1.9
72.99310	11.9
74.02473	34.2
75.00867	1.1
79.95734	6.2
80.96523	1.1
81.03445	1.0
83.05014	0.8
84.04542	2.1
85.02943	1.4
86.02480	0.8
87.02744	1.0
92.05070	1.0
92.87743	0.5
93.03460	19.0
96.95998	1.7
98.02473	9.0
103.00370	1.6
107.05022	1.6
110.02464	1.0
116.03537	17.4
119.05025	38.8
120.04552	0.7
123.04540	0.8
128.03543	8.3
130.06578	1.2
131.01714	1.6
131.03784	9.9
131.06241	0.5
132.03555	1.0
132.04552	18.6
134.03770	0.6
135.04518	23.1
137.06114	1.1
144.04552	5.1
146.06131	0.7
157.07698	4.5
158.06100	5.0
159.06618	0.5
163.04008	27.8
164.04236	0.7
167.29764	0.5
175.08752	5.1
181.05060	71.1
182.05415	2.2
189.06760	0.6
199.00674	15.1
199.08788	1.7
201.06673	5.6
214.76093	0.7
215.00185	6.7
217.09801	2.5
217.11920	0.5
219.07745	5.4
236.69240	0.5
243.07707	1.0
261.00723	100.0
261.08722	30.0
261.13400	2.9
262.01050	3.3
263.62436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.0
57.03453	3.5
58.00587	2.2
58.02977	2.9
59.01379	45.4
68.01421	0.9
69.03479	1.0
70.02977	1.3
70.99596	1.0
71.01381	100.0
72.01713	1.6
72.99316	2.8
73.02946	22.4
74.02470	7.6
75.00875	1.0
75.35395	0.5
78.95869	0.4
81.03482	0.5
83.01386	8.1
84.02168	0.8
84.04544	1.3
85.02950	42.2
87.00883	2.1
89.02446	25.5
89.03015	1.1
92.05061	1.2
95.01382	7.6
97.02955	2.3
98.02479	2.4
99.00883	9.1
100.18092	0.5
101.02442	46.5
101.21750	0.4
102.39601	0.4
110.02481	0.8
113.02448	41.8
114.02752	0.7
116.03534	4.1
116.43232	0.5
119.03494	6.6
125.02419	1.9
128.03545	4.4
129.01921	0.9
130.06624	0.7
131.03766	6.7
132.04558	8.0
134.06078	0.5
140.05043	0.5
143.03496	4.2
144.04543	1.8
146.06210	0.6
157.07722	3.6
158.06129	3.5
159.02995	9.5
160.73067	0.5
161.04553	87.0
162.04887	2.2
172.04337	1.4
175.08752	3.4
188.05611	1.0
199.08749	0.6
201.06688	2.2
205.03532	1.2
217.09874	0.9
219.07698	3.3
243.07613	0.6
245.29361	0.4
260.05972	0.6
261.01010	0.5
261.08765	13.4
261.12930	1.3
263.40848	0.5
270.03119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0927
Annotation	Antrocinnamomin B
Peak:m/z	Relative Intensity
50.64655	0.5
59.01361	0.7
61.98818	0.7
62.96157	0.5
69.64354	1.7
69.64761	1.7
71.01367	0.9
84.91748	0.6
85.43850	0.6
92.76349	0.7
99.92584	1.8
116.92848	0.9
136.05363	0.6
145.51546	0.6
159.04501	11.9
161.04581	0.5
161.09692	1.6
171.08215	2.8
172.05260	1.7
173.06068	2.2
174.06859	16.6
176.04767	0.9
188.08354	1.2
189.09209	63.5
190.09520	2.6
192.04114	0.9
199.07713	1.0
200.04782	1.8
201.03877	1.1
201.05574	11.4
202.06358	4.3
211.13396	8.3
215.07028	0.9
216.07898	3.1
217.08797	14.5
221.84238	1.9
232.09764	10.3
245.06882	1.3
260.09265	100.0
261.09665	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	260.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47435	0.5
55.01878	3.2
57.03453	4.1
58.00595	2.0
58.02970	2.8
59.01379	42.6
68.01421	1.1
68.99842	0.5
69.03447	0.8
69.94242	1.0
69.94635	0.9
70.02990	0.9
71.01381	100.0
72.01707	0.7
72.99311	2.3
73.02945	22.4
74.02473	6.2
75.00856	0.9
83.01383	9.1
84.02165	0.6
84.04542	1.2
85.02948	36.9
86.03268	0.8
87.00880	3.4
87.02733	0.5
88.78851	0.4
89.02444	22.4
90.02788	0.4
92.05061	1.0
95.01383	7.8
97.02957	2.0
98.02473	3.4
99.00880	8.9
101.02441	46.9
102.02784	0.6
110.02494	0.8
113.02448	40.3
114.02763	0.5
115.04007	0.5
116.03557	3.9
119.03508	6.7
125.02459	1.5
128.03531	3.7
129.01949	0.9
130.06625	1.1
131.03767	6.1
132.04562	8.1
138.05611	0.8
143.03506	5.6
144.04544	1.9
145.32773	0.5
146.06108	0.7
157.07658	2.7
158.06105	2.9
159.02992	9.0
161.04552	84.3
162.04860	2.2
168.51357	0.4
172.04370	1.9
175.08737	2.7
179.05650	0.6
184.90854	0.5
188.05673	1.5
199.08850	0.9
201.06734	1.5
205.03546	1.5
217.09755	1.1
219.07759	3.6
237.15227	0.4
243.07759	0.7
260.05817	1.0
260.10522	0.6
261.08801	12.1
261.13049	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.4
67.01871	0.6
69.03448	0.7
71.01385	4.9
71.31602	0.6
71.50230	0.7
80.95313	0.5
81.03458	4.0
82.02982	5.2
82.06637	0.9
84.04556	2.6
84.08199	0.8
85.02966	1.6
89.02436	1.2
93.03487	1.2
95.05037	0.7
96.96010	2.1
97.02960	1.0
100.04044	2.1
101.02466	2.3
101.07211	2.4
103.02243	1.0
112.04001	1.4
113.02441	1.6
114.09268	0.8
123.04517	3.9
125.02443	2.1
127.05155	2.3
128.03542	9.0
130.08739	100.0
131.09088	1.8
139.88635	0.6
140.07231	1.0
141.10321	4.1
154.12349	1.9
155.03476	0.8
167.03496	2.1
168.08961	0.6
169.09773	0.9
171.15028	8.1
180.10352	2.7
197.12956	21.7
215.14026	1.6
241.11932	47.6
242.12245	1.9
259.01605	1.1
259.04541	6.5
259.12967	35.6
260.13376	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	259.155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
62.04448	0.6
68.60307	0.6
80.02663	1.3
81.03457	1.7
82.82501	0.5
83.05026	5.8
84.02158	2.9
90.71637	0.5
95.05007	0.7
95.64365	0.6
97.06569	0.7
107.51703	0.6
125.06061	0.7
135.08183	0.7
154.29468	0.6
163.11269	4.4
165.12854	2.2
173.07217	0.7
191.10736	1.5
199.41002	0.6
209.11816	100.0
210.12141	4.0
227.12886	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	259.1185
Annotation	TRIPROPIONIN
Peak:m/z	Relative Intensity
59.01381	50.7
63.86272	1.3
70.96252	2.8
71.01382	2.7
73.02946	42.2
83.05029	2.7
85.33313	1.6
97.06583	5.7
107.05027	4.7
109.19863	1.2
120.70131	1.2
120.99598	1.4
123.08143	7.3
125.06084	14.5
141.09215	3.5
167.07114	7.7
177.01930	1.9
181.08768	2.4
185.08188	60.0
197.11838	16.2
199.09760	14.9
231.27805	1.4
241.10832	5.8
244.04990	1.5
249.35155	1.4
249.37994	1.3
259.11859	100.0
259.14664	3.9
260.12244	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	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94922	0.7
51.20715	0.8
57.03447	4.1
59.01379	34.2
67.13595	0.7
69.03461	1.5
69.27657	6.7
71.01382	3.8
73.02944	4.4
87.00862	1.0
97.06583	9.6
99.04540	3.6
116.05080	1.1
119.08657	3.5
120.99651	3.5
125.09718	20.9
129.05704	0.9
137.08670	1.0
137.09717	21.9
141.05540	5.7
167.10756	8.6
169.08687	15.6
177.01906	2.6
179.10735	2.3
181.08698	43.7
182.09033	1.3
184.72231	0.8
185.08167	2.1
195.10284	1.6
197.11841	5.9
199.09721	5.5
211.09747	4.1
211.17053	0.8
215.08328	0.8
215.12909	2.1
223.09831	2.3
241.10823	9.1
259.11844	100.0
260.09760	1.0
260.12125	4.6
283.16580	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18573	0.6
54.63284	0.5
55.01873	1.0
57.03424	0.6
59.01381	100.0
60.01715	1.2
69.70704	2.1
69.71110	0.9
71.05018	0.6
73.02957	0.6
87.04529	0.8
95.05047	0.8
99.00902	0.7
104.23853	0.6
104.67080	0.5
119.48979	0.5
125.09737	2.1
163.11292	1.0
180.98141	0.6
181.12334	3.4
183.10216	1.0
201.34207	0.5
207.10349	1.0
219.18120	0.5
223.77757	0.5
225.11369	3.6
239.12817	0.6
257.04318	1.3
257.13934	43.7
257.23929	1.4
258.14258	2.0
262.71750	0.5
269.80283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12285	0.7
55.01876	1.4
57.03429	1.0
58.02971	0.8
58.64211	0.7
59.01377	3.9
59.22905	0.7
63.98246	0.7
67.01881	2.1
71.01363	1.4
71.50491	1.2
72.04537	4.2
72.99313	1.0
73.02950	0.7
75.00885	1.2
81.02197	3.9
82.02982	11.3
83.01381	8.5
83.05042	1.0
91.89870	0.7
94.07431	0.8
95.05009	1.7
98.02473	11.5
99.00892	3.7
100.04047	3.0
103.90603	0.7
109.02963	1.9
109.44170	0.8
110.02475	1.5
110.03255	1.7
111.03288	2.3
112.07738	0.8
114.15038	0.7
120.19385	0.6
124.11379	0.9
127.00381	8.1
128.94403	0.7
130.08739	100.0
131.09064	2.8
135.04497	2.7
137.06094	3.5
137.09692	0.9
138.06424	6.7
140.07198	7.2
140.10843	0.9
142.12352	7.2
143.77458	0.6
150.09227	1.7
152.10800	20.5
153.11189	1.1
157.44156	0.8
164.04477	1.0
168.10297	14.8
170.11807	1.7
176.07185	0.8
178.08748	2.7
179.03511	1.3
181.05055	1.7
182.05417	6.5
186.11333	1.5
196.09782	21.9
212.09274	79.3
213.09633	2.7
214.08478	1.0
214.10844	4.2
240.08763	54.3
241.09166	2.9
258.07025	4.9
258.09860	19.8
258.14145	1.5
259.11865	2.2
259.15530	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	257.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29348	0.6
56.50708	0.6
56.72358	0.6
57.03447	1.1
59.01373	13.6
65.03976	0.8
67.01881	2.1
69.39064	0.8
69.39388	4.7
71.01376	0.8
72.45606	0.6
81.03433	1.0
83.05031	1.3
93.03471	2.2
93.07098	5.7
95.05023	14.9
97.02940	1.2
107.05023	1.5
109.02950	35.2
109.06577	8.3
115.03976	0.8
119.05014	3.0
121.02955	3.1
122.03743	6.5
125.06137	0.9
130.08696	1.0
137.06081	100.0
138.06422	3.4
141.05618	1.2
150.96353	0.6
151.07707	0.9
151.11281	0.6
158.59000	0.5
163.04008	10.4
167.24924	0.6
169.08736	1.1
174.37308	0.7
181.05064	85.8
182.05399	2.6
213.07675	10.1
256.23630	1.2
257.06665	41.0
257.13904	2.8
257.23853	1.1
258.06955	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20773	1.3
55.01873	3.3
55.98262	1.1
57.03439	2.1
59.01386	5.5
61.94967	1.2
65.03956	1.5
65.10589	1.1
67.01894	3.3
68.99822	2.8
69.03442	8.4
70.18465	2.0
70.18856	2.2
71.01382	14.6
72.99314	2.3
73.02933	3.9
75.00871	3.4
77.03976	1.3
79.05543	1.5
80.02686	6.6
81.03450	22.7
83.01384	16.2
83.05017	8.4
85.02946	4.4
87.00877	1.5
88.04014	2.2
93.03454	4.4
95.01384	2.0
95.05020	17.6
96.02222	1.4
96.99316	2.5
97.02951	14.7
97.06600	2.5
99.00868	2.7
99.04506	2.0
101.02417	1.5
107.05003	5.9
108.02148	1.4
109.02953	15.9
110.03779	5.9
111.00882	2.2
111.04511	4.3
112.98824	4.6
113.02425	7.4
115.00362	3.6
121.02982	1.4
123.00906	1.6
123.04492	3.7
124.98820	1.4
125.02487	5.6
125.06045	1.9
127.00383	5.6
127.04008	4.4
127.05023	1.2
132.41594	1.1
137.02437	3.8
138.03191	2.3
139.00424	1.7
139.04008	10.4
141.01894	1.4
145.06157	2.0
151.04025	4.7
153.01907	6.9
154.99846	4.6
155.03476	8.0
161.04684	1.4
165.01913	2.5
167.03477	2.1
169.01321	2.0
169.05049	3.3
183.03008	11.3
195.02931	2.0
213.04025	11.1
229.03525	31.7
252.93349	1.3
256.23541	5.1
257.03009	100.0
257.23837	1.4
258.03284	3.2
258.14502	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	254.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35126	0.4
59.85912	0.4
61.98831	100.0
62.59833	0.3
70.45345	0.5
70.45685	0.6
71.01385	0.5
73.10970	0.4
98.20674	0.4
108.69793	0.4
116.94971	0.4
117.09870	0.4
135.49687	0.4
141.97961	0.4
142.99817	0.4
160.40865	0.4
217.96165	0.6
218.10326	0.6
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
52.87072	0.5
53.58250	0.5
61.98830	100.0
69.77953	1.0
69.78342	1.3
80.85225	0.5
95.34180	0.6
104.35847	0.5
114.72672	0.5
120.19024	0.5
124.74492	0.5
150.79089	0.5
189.52356	0.5
270.81906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15514	0.3
57.19615	0.3
57.49366	0.3
61.98831	100.0
66.14070	0.4
70.47627	0.4
71.07292	0.8
89.06038	0.4
106.37182	0.4
142.99872	0.6
144.86967	0.3
173.00879	0.5
189.99525	0.3
269.38266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86341	0.5
54.44114	0.5
57.03441	1.2
59.01378	100.0
60.01687	0.8
69.98561	1.0
69.98952	1.1
71.01344	0.4
73.02927	0.9
94.27213	0.4
98.19956	0.9
113.85680	0.5
193.15813	0.4
197.95998	0.5
255.02957	1.1
255.16011	60.4
255.23270	34.0
256.16345	2.8
256.23627	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.7
55.31591	1.4
57.03451	2.4
59.01374	7.3
61.98834	5.4
62.95834	1.5
65.03951	2.0
67.01882	13.4
68.14932	1.7
68.99832	3.1
69.03445	9.3
69.74741	5.6
69.75150	2.9
71.01382	20.3
72.99303	4.9
73.02953	6.2
75.00874	3.3
80.02682	6.6
81.03452	27.0
82.02982	2.8
83.01383	19.4
83.05024	16.2
84.04527	3.1
85.02955	6.9
93.03469	5.9
95.01387	5.9
95.05035	21.3
95.15234	1.5
97.02943	18.9
97.06577	3.2
98.02539	2.0
99.00884	6.5
99.04539	3.2
107.05019	16.7
109.02942	19.8
109.48465	1.4
110.02474	8.0
110.03748	6.1
111.00899	2.7
111.04501	5.8
112.98740	4.5
113.02446	8.1
115.00325	3.0
117.01938	7.3
120.01308	1.7
121.02929	1.9
123.00858	8.4
123.04520	5.8
124.98815	3.1
125.02415	5.7
125.03500	3.8
125.06097	4.8
125.87335	1.9
127.00352	7.7
127.03992	7.1
127.04906	1.5
131.01990	4.9
134.04753	2.7
137.02435	3.5
138.03185	2.6
139.00475	1.6
139.03999	9.1
140.01154	16.5
140.62378	1.9
141.01869	2.4
145.01436	1.6
145.06145	3.1
151.03972	7.7
152.02274	6.9
152.07167	10.6
153.01947	8.8
154.99864	6.5
155.03485	12.0
156.90273	1.9
156.99922	10.3
157.86247	3.1
165.01933	2.9
166.99857	9.1
167.04599	35.1
169.05029	5.4
183.02960	12.7
187.02623	1.9
195.02925	2.7
196.92456	2.5
197.05774	2.6
197.90253	6.6
213.04018	11.4
218.98572	1.8
221.08009	2.0
221.84213	2.3
229.03510	38.0
256.23663	10.6
257.03018	100.0
257.07687	7.6
257.23993	2.7
258.03366	3.2
258.18231	3.7
271.83514	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	252.0733
Annotation	Neopterin
Peak:m/z	Relative Intensity
59.01383	10.3
61.11850	0.2
65.93926	0.2
69.80936	0.5
69.81328	0.6
71.01334	0.2
79.95738	100.0
80.95670	0.3
80.96515	0.7
83.15412	0.2
91.90286	0.2
92.61066	0.2
101.02403	0.4
111.08189	0.4
121.80548	0.2
126.12928	0.5
141.05496	0.3
141.09196	0.3
148.44656	0.3
151.00893	0.2
161.04611	0.6
188.11160	8.9
189.11505	0.4
191.14508	0.6
193.07220	2.2
204.35193	0.2
209.15419	0.3
221.06107	0.2
235.13438	0.3
252.07336	46.4
253.07559	2.0
253.14401	1.6
259.29517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2172
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01369	32.6
71.25607	13.3
143.26489	9.2
253.21674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80744	0.7
59.01379	29.4
61.76609	0.7
61.98835	1.1
66.03475	0.8
68.99818	8.5
71.01397	3.7
74.97661	0.6
86.82263	0.7
87.00908	0.8
90.03485	3.7
92.01422	2.5
92.05058	0.8
93.03465	4.4
96.99316	9.6
99.00884	20.9
101.02448	1.7
106.02997	0.8
108.04551	1.8
109.02951	2.3
118.03004	1.5
120.04574	2.5
120.45036	0.7
121.02961	2.5
124.98789	1.5
134.02484	13.3
136.04053	3.4
137.02478	4.3
142.99849	4.8
146.02463	2.6
146.06052	0.9
148.03993	0.8
161.04608	2.4
164.03490	3.3
165.01927	22.0
174.01875	0.8
190.14835	0.8
192.03021	100.0
193.03343	2.9
193.07141	4.9
199.48210	0.7
202.20299	0.7
213.97020	0.6
245.67693	0.6
252.05122	82.3
252.86824	0.7
253.05423	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	252.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40245	0.5
53.20883	0.4
53.56354	0.6
54.74936	0.4
59.01384	13.1
65.00314	0.5
66.03499	1.4
67.01907	0.6
68.99813	7.8
69.07021	0.5
69.47588	3.1
71.01381	2.7
72.52627	0.5
73.04076	4.0
74.04419	1.0
83.01400	0.6
90.03491	4.4
92.01416	2.8
93.03467	3.6
96.99313	12.6
99.00882	17.7
106.03004	1.8
107.01369	0.6
108.04546	0.9
109.02972	1.4
110.02437	0.5
111.15704	0.5
118.03008	1.6
120.00883	0.5
120.04536	3.0
121.02960	2.9
121.99960	0.6
124.04066	0.8
124.98805	2.5
134.02475	12.8
135.57996	0.5
136.04013	3.1
137.02444	5.7
138.05606	0.6
142.99860	3.4
146.02469	2.9
147.87711	0.5
161.04549	0.5
162.01979	0.6
164.03528	3.2
165.01927	21.4
165.07568	1.0
166.02255	0.6
192.03027	100.0
193.03371	2.9
193.07179	1.3
222.09624	1.8
252.05122	73.6
253.05540	2.4
259.91885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2016
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01379	3.9
59.63066	0.4
61.98832	0.9
62.18165	0.5
69.36018	0.4
70.24832	1.3
71.01366	0.5
85.02962	0.4
91.01870	0.7
93.03477	0.5
93.57887	0.4
97.11111	0.4
99.30986	0.4
111.70564	0.4
119.01423	0.5
125.44705	0.4
129.01895	0.4
135.00826	0.7
161.68871	0.6
163.00375	0.5
178.99831	0.5
196.64322	0.4
206.99344	0.7
233.19153	1.1
250.98180	0.8
251.14847	2.4
251.20148	100.0
252.20486	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	251.1652
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03436	2.5
59.01376	12.4
61.98825	3.6
69.03417	1.7
70.71544	1.5
70.71899	2.9
71.01390	2.3
73.02967	1.3
74.83430	1.1
81.71272	1.3
83.05030	2.4
85.02919	2.1
95.04974	1.5
99.04510	9.0
101.02417	1.8
107.05082	1.7
116.92889	2.5
119.08707	1.3
121.10212	1.4
137.09744	4.0
159.86018	3.2
180.94257	1.7
189.16479	12.5
190.16656	1.4
190.85236	2.1
207.13916	6.2
207.17567	7.6
222.75021	1.7
251.09378	2.8
251.12811	5.8
251.16548	100.0
252.16847	4.9
256.89926	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	251.1036
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
59.01378	4.0
68.99814	2.3
71.01394	1.6
71.02509	2.5
71.50381	0.7
72.00912	1.9
72.99290	0.5
73.04069	100.0
74.04432	0.5
75.22775	0.5
80.96520	1.9
82.92643	0.4
85.04092	0.8
85.06583	1.2
87.00890	2.1
89.02437	1.5
90.03510	1.0
91.05524	1.3
92.01429	1.1
93.03464	0.7
94.02982	0.5
96.99316	2.9
99.00881	4.7
101.02412	0.7
103.05132	3.8
108.04510	0.5
109.02917	0.6
115.00423	0.5
118.06635	0.6
119.05031	1.3
120.04624	0.7
120.99651	8.1
121.02973	1.1
129.01889	0.6
129.05550	2.2
133.03044	0.5
134.02472	3.2
135.04529	0.8
136.04048	1.0
137.02432	1.6
142.99855	0.9
146.02452	0.6
147.04520	17.0
161.02446	1.5
163.04349	13.2
164.03522	1.1
164.07159	29.5
165.01929	5.5
165.07474	0.9
169.05119	0.5
175.08783	0.6
177.10249	1.4
189.10362	0.4
192.03020	27.3
207.11455	0.5
221.09303	55.3
222.09557	2.2
233.09270	1.4
251.02127	1.6
251.06120	16.5
251.10336	61.9
251.14665	1.5
252.05099	19.1
252.10606	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	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
50.12373	0.8
50.30290	0.7
51.15704	0.7
53.36967	0.7
56.71508	0.7
59.01377	5.6
59.07573	0.9
61.98814	2.3
71.01364	1.7
81.36243	0.8
83.05018	1.0
115.92010	1.0
116.92877	1.1
117.03480	2.0
123.60844	0.9
127.24385	0.9
133.02992	1.1
161.02448	3.1
169.18747	0.8
176.17398	0.9
184.50334	3.3
185.00021	1.4
204.04224	3.0
205.01360	1.4
205.15979	13.6
205.19591	1.4
219.06664	1.7
235.20056	0.8
248.58122	3.2
248.97243	1.0
249.07813	2.9
249.14923	25.8
249.18564	100.0
250.14478	35.2
250.18535	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	250.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26175	1.3
58.02976	25.4
58.33725	1.4
59.01369	6.9
59.35611	1.3
60.98516	1.5
69.31197	7.4
69.31598	2.5
70.02982	9.9
71.01365	3.4
72.00919	7.3
75.00866	1.7
78.95879	1.9
82.02976	2.0
91.05530	5.9
97.54214	1.4
111.00845	1.4
118.06718	1.5
119.05055	1.7
120.72818	1.5
124.34814	1.3
135.04558	2.9
144.04543	3.8
145.04915	7.5
146.06123	1.9
147.04546	39.5
147.06442	3.9
148.05019	1.8
162.09200	1.3
164.07169	100.0
164.43605	1.3
165.07460	3.2
190.05040	2.6
191.05428	10.8
206.08220	85.5
207.08469	3.0
250.06586	8.8
250.09123	1.1
250.10326	1.4
250.14441	18.8
251.10538	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	250.1083
Annotation	Rigidiusculamide A
Peak:m/z	Relative Intensity
57.03457	1.3
59.01381	0.8
70.04339	3.0
72.04549	3.0
82.02986	100.0
83.03321	1.7
84.04551	0.8
85.02954	9.8
91.05528	2.3
98.02486	1.4
100.04047	97.3
101.02457	4.1
101.04390	1.6
102.05587	0.9
111.60684	0.7
128.03540	0.8
129.01952	7.5
157.94591	0.6
202.08727	1.5
204.10310	14.9
210.99854	0.7
211.27977	0.6
232.09793	16.6
233.10135	1.0
233.83501	0.6
246.20744	0.7
250.10841	85.8
251.11234	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	249.1493
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
59.01381	12.3
60.28956	1.5
61.98829	10.0
69.03457	29.2
69.86541	1.5
70.69882	4.4
71.01382	4.5
73.02969	1.6
75.75694	1.4
85.02946	2.9
95.05040	3.9
97.06583	2.0
101.02484	2.5
110.16061	1.8
116.92894	1.9
117.03477	3.7
119.05008	1.5
121.03001	1.7
134.07382	2.5
134.39423	1.6
135.73837	1.5
135.93156	1.5
149.13316	2.7
153.65152	1.4
157.86333	2.2
161.02406	2.2
161.13304	1.6
167.10760	2.7
168.88528	1.5
177.96704	3.0
187.14864	2.5
191.10947	2.0
193.12338	5.4
203.85580	1.9
204.04253	8.4
205.12389	7.8
205.15950	9.0
219.06570	5.7
221.15448	16.7
231.13895	29.3
249.07808	2.7
249.14955	100.0
250.14551	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	249.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03481	0.7
58.02977	6.3
59.01353	0.9
69.59734	4.3
71.01374	1.0
74.02483	0.8
84.04574	0.9
86.93549	0.7
92.05048	2.9
109.04074	1.4
116.05046	2.8
118.06632	15.0
119.05375	0.7
127.05135	7.1
128.05063	18.3
131.03763	14.8
144.04552	100.0
145.04970	3.3
146.06116	44.2
161.02419	1.1
164.07156	1.1
172.04050	8.0
173.04164	0.7
190.05089	81.2
191.05428	3.3
204.04152	1.1
221.84193	0.7
249.08879	3.7
249.12491	9.6
249.14928	1.3
250.14554	1.4
260.71268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37189	0.7
55.01880	6.8
57.03460	5.0
58.00584	1.5
59.01380	44.1
61.98826	1.9
62.83158	0.6
69.03485	1.5
69.87482	2.8
71.01383	100.0
72.99301	3.0
73.02948	41.3
73.68425	0.6
75.00874	2.0
78.95924	0.7
83.01387	12.2
85.02951	43.7
86.00094	1.6
86.03300	1.0
87.00877	18.5
87.04515	5.4
89.02446	5.1
94.09018	0.7
95.01385	7.5
97.02946	3.0
99.00890	11.1
101.02447	62.9
101.06113	1.4
103.00371	19.0
109.06625	1.7
109.72908	0.7
111.00881	1.7
113.02454	35.6
115.04002	0.7
125.02475	1.3
129.01967	2.5
139.00499	0.7
143.03522	3.0
145.05067	1.0
159.03011	8.3
159.06627	10.0
161.04568	31.5
163.66504	0.8
204.04279	1.6
249.05943	0.7
249.09810	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	245.1394
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
54.45816	0.9
54.89888	1.0
58.02969	1.8
59.01371	3.6
61.98819	1.0
62.03854	0.8
67.69535	0.9
70.49526	3.1
72.99337	0.9
74.02462	5.3
79.14673	0.9
88.07920	1.0
98.02484	1.5
116.03551	2.6
116.05050	2.6
129.68155	0.9
135.31613	0.9
141.72198	0.9
142.49976	0.9
155.14394	1.0
165.12820	4.4
166.05115	5.5
183.13899	26.4
184.14171	2.0
199.13400	41.8
200.13721	2.2
201.01913	1.6
203.08261	6.0
209.11838	4.9
227.12883	7.7
245.09261	5.1
245.13925	100.0
246.14282	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	245.1757
Annotation	CHEBI:79279
Peak:m/z	Relative Intensity
59.01375	3.4
60.05679	0.9
61.98828	24.3
71.01358	0.8
71.52124	1.0
74.02472	1.8
99.92575	4.1
100.92603	2.1
116.03485	0.8
116.05055	0.9
116.92849	3.4
153.12816	1.0
155.15935	0.8
155.19818	0.7
160.91432	0.7
176.28822	0.8
181.12347	4.4
199.90164	3.4
201.05457	0.8
203.08276	2.3
212.29993	0.8
213.14886	2.4
245.17560	100.0
245.89450	6.2
246.17902	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	247.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19371	2.8
58.12557	3.3
59.01376	69.1
71.01387	5.5
98.19869	6.9
99.04511	9.2
99.08140	4.7
101.67666	2.8
103.00371	13.3
104.20082	2.8
104.69785	2.9
107.74113	3.0
115.04025	11.4
117.05580	5.3
161.08192	100.0
169.41513	3.2
175.04065	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	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
50.95785	0.1
57.03447	0.1
59.01362	0.3
61.98820	0.5
62.15069	0.1
69.15584	0.2
69.15932	1.3
71.01385	1.9
90.76231	0.1
103.04031	0.9
114.70500	0.1
115.92096	0.2
157.05058	0.3
158.72922	0.1
166.66534	0.1
179.07021	0.2
184.00151	1.0
186.95599	0.5
204.15295	0.1
205.15924	0.3
220.17009	0.3
231.13913	0.4
247.17015	100.0
248.07956	1.4
248.17349	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	248.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24553	0.4
59.01381	1.2
61.98830	2.8
67.35362	0.5
68.99573	79.3
69.80713	2.0
71.01381	1.1
75.00872	0.6
85.02907	0.5
98.14599	0.4
112.98568	100.0
134.04753	1.9
136.05695	0.4
146.86716	0.6
148.98586	0.6
165.04005	0.7
171.88802	0.6
173.88548	0.7
174.96483	0.7
177.96674	1.1
205.96234	0.6
248.05435	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67372	1.1
56.96945	1.1
57.03443	3.5
58.00604	5.8
59.01382	20.1
70.02948	1.3
70.26334	5.0
71.01389	14.5
72.02144	1.5
72.99303	3.2
73.02965	3.6
74.02456	2.1
75.00860	2.0
78.95887	1.2
82.06651	1.4
82.81010	1.2
83.01377	9.9
83.05046	1.9
85.02949	4.4
87.00875	15.9
88.74512	1.1
89.02451	8.3
95.05038	3.1
97.04093	1.5
97.06590	10.5
99.00868	1.8
99.08131	5.7
101.02440	7.9
105.01936	3.7
108.02168	1.7
109.01675	7.6
109.06598	5.3
111.08160	2.2
112.01710	1.5
112.07674	2.4
113.02421	3.3
113.03578	13.8
114.05633	1.6
116.07172	4.4
117.07436	1.1
119.03507	3.6
125.02477	2.1
125.06087	3.5
126.04360	4.9
127.07652	71.4
129.01930	7.7
129.09215	4.7
129.10298	2.1
130.08736	100.0
131.09108	2.6
135.15977	1.2
137.06075	5.8
137.92184	1.2
139.07674	6.3
140.07164	8.9
140.10782	3.0
141.10361	3.0
147.03003	1.5
152.99585	1.5
155.07146	29.0
156.10274	4.2
157.08731	2.1
157.13441	1.8
166.08763	3.8
167.07135	3.1
169.53152	1.3
175.81589	1.5
183.11414	12.8
185.08144	3.3
199.09734	4.4
210.07664	12.3
215.10396	1.7
227.08124	2.2
227.10384	34.3
228.08688	1.4
245.04376	2.4
245.10182	6.0
246.10300	1.3
267.34998	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	21.8
69.36940	12.9
70.02981	14.7
72.00904	3.1
72.04528	4.6
74.02472	100.0
85.81342	1.4
86.12118	1.4
91.71932	1.4
93.47916	1.6
98.02480	22.6
103.83999	1.6
106.25661	2.0
107.57533	1.6
116.03550	26.8
116.05051	31.4
130.06583	5.7
131.55473	1.5
142.06610	7.8
159.09245	6.5
183.09192	2.2
186.05537	2.4
201.10286	9.6
203.08252	81.4
204.92760	1.5
209.11794	1.7
245.09299	99.2
246.09424	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	245.0433
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
50.64155	0.6
53.28104	0.7
59.01353	0.9
65.47121	0.7
70.87568	0.7
70.87878	1.7
71.04510	0.6
78.95904	100.0
96.96957	7.4
110.92606	0.6
128.89185	3.9
130.88930	19.2
131.89021	1.6
132.88643	33.4
133.88710	2.2
134.88376	9.5
140.91824	0.8
144.86969	9.1
146.86681	11.7
148.86366	15.0
150.86072	3.6
152.99585	76.7
154.89816	8.7
163.74646	0.7
170.88156	5.2
170.89507	2.0
171.00636	32.8
184.90948	1.2
207.95012	1.2
212.90346	2.9
230.91422	1.5
244.78351	10.1
244.87154	0.9
245.04301	99.4
246.04582	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	245.093
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
57.84227	0.7
58.02978	19.2
63.62298	0.6
69.30280	4.6
69.30697	1.5
70.02978	15.0
72.00899	3.8
72.04531	2.6
74.02476	79.4
80.29100	0.7
85.60139	0.6
87.61383	0.8
89.44296	0.6
98.02480	19.5
98.03139	1.0
98.19872	1.5
101.54768	0.8
116.03546	27.0
116.05060	25.5
117.05499	0.7
130.06596	3.6
142.06647	6.2
156.08167	1.0
159.09302	6.4
162.77927	0.7
183.09235	2.3
186.05577	1.1
187.19209	0.8
189.71924	0.7
201.10327	8.0
203.08260	80.7
204.08563	2.8
221.35742	0.8
245.09294	100.0
246.09700	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	243.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
61.98804	0.7
66.03465	1.1
69.03471	0.5
70.23100	0.9
73.02911	0.5
80.91696	0.5
81.03479	0.5
101.02454	0.7
102.98589	1.2
103.98978	0.5
109.01688	0.5
112.02248	1.3
112.07685	0.7
113.02612	1.4
114.01835	1.2
114.09241	1.0
127.13898	0.5
129.10382	2.5
130.08739	38.7
130.45966	0.4
131.09062	1.1
135.54355	0.4
145.01396	1.4
151.07649	1.4
181.08594	0.7
181.10574	0.5
199.18158	24.4
200.18486	0.7
225.16064	0.6
239.43639	0.5
243.17125	100.0
244.17374	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	244.1302
Annotation	H-Leu-Asn-OH
Peak:m/z	Relative Intensity
57.03442	0.7
58.02974	7.8
59.01382	3.8
61.98836	1.1
66.03487	1.1
69.56345	3.7
70.02986	2.5
71.01385	1.8
71.02489	0.8
72.04535	0.7
73.04068	0.7
74.02484	3.2
78.95914	0.7
82.02985	1.4
82.06628	1.5
83.01382	1.7
84.08178	1.0
87.00868	1.0
89.02441	0.8
97.04046	0.9
97.89558	0.6
98.02474	27.9
101.02443	4.1
102.02775	0.9
102.05629	0.7
109.01713	2.2
110.02478	1.1
111.08164	1.0
112.07724	0.9
112.08511	1.7
113.03574	31.1
115.08811	0.8
116.07177	6.6
119.03526	1.8
126.04368	0.7
127.07652	2.3
128.03490	0.7
128.07243	0.6
128.10851	0.9
129.10358	0.9
130.08740	100.0
131.09076	2.1
137.06093	1.3
138.06467	2.7
138.09291	1.5
140.07153	2.8
141.10350	14.3
143.11880	1.5
145.01421	2.5
146.01759	2.9
146.04608	1.4
154.08783	0.8
155.07175	0.8
155.11890	1.2
156.07477	1.0
156.10294	1.7
165.10350	2.7
166.08691	1.6
169.09885	0.8
182.08159	1.1
182.12979	3.6
183.11365	10.6
198.07616	2.9
200.09322	0.7
200.14044	1.8
210.07721	6.3
226.07179	2.6
226.11920	1.2
227.10381	24.6
244.05913	1.3
244.08316	2.3
244.13005	50.5
245.04378	1.0
245.13306	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	243.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.6
61.98831	38.5
67.01885	1.0
69.03446	1.0
69.72024	2.3
69.72439	0.9
71.01397	0.6
73.02958	0.5
76.57369	0.5
85.02968	0.5
98.20008	1.1
99.92580	4.6
110.02486	1.1
111.00906	0.9
115.92115	0.5
116.92924	0.6
139.11290	1.9
151.91318	0.9
153.05519	0.5
167.14445	0.6
180.89937	0.6
181.12410	1.1
183.10257	1.7
183.13901	9.1
185.14771	0.6
193.12305	2.3
197.15544	2.9
197.90634	6.8
199.13322	0.6
207.10320	0.9
211.13394	100.0
212.13762	4.8
218.28149	0.6
225.11343	1.1
243.02942	0.7
243.12457	3.8
243.16006	8.6
243.79085	0.7
243.89888	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	243.1599
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
52.04842	0.1
52.78151	0.1
55.01884	0.1
57.03444	0.5
59.01366	0.4
60.23484	0.1
69.03468	0.2
71.77258	0.1
72.99309	0.2
83.05034	0.3
83.99671	0.1
84.02158	0.3
97.06601	0.1
98.19938	0.3
99.00891	0.3
123.08160	0.6
125.09739	0.1
132.04556	0.5
136.28906	0.1
139.11290	3.7
141.12839	0.6
144.74091	0.1
148.08414	0.1
151.11256	0.6
167.14406	3.8
168.14639	0.1
169.15932	0.3
177.12799	0.2
179.14432	0.7
181.12331	0.5
183.10263	0.3
195.13904	1.6
197.15459	27.8
198.15788	1.0
199.13417	0.3
207.10242	0.5
207.57526	0.1
213.15025	0.1
225.11394	1.1
225.14931	0.9
229.99652	0.1
241.14374	0.4
243.15990	100.0
244.16325	5.2
244.18895	0.2
259.65735	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	243.16
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
52.78336	0.6
54.70865	0.6
59.01383	4.2
61.98830	85.0
62.94881	0.6
67.01884	0.9
70.75015	0.6
80.41037	0.6
99.92581	7.9
110.02445	1.5
111.00884	1.2
115.92079	1.7
116.92867	0.9
119.37542	0.6
119.92394	0.8
124.04006	1.5
134.89441	0.8
136.89105	0.7
139.11279	2.1
151.91341	1.9
160.79015	0.7
171.10283	0.7
181.12482	1.2
181.15988	32.9
182.16281	0.9
183.10223	1.4
197.15479	3.5
197.90633	16.2
199.16953	0.8
200.05688	0.8
211.13322	1.2
225.11388	1.6
225.14961	48.3
226.15340	2.7
242.91930	0.9
243.02594	0.8
243.12514	4.3
243.15991	100.0
243.89905	24.3
244.16345	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	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03435	1.2
59.01382	40.6
70.05502	1.5
71.14977	0.7
73.02928	2.5
84.71666	0.7
86.54388	0.8
98.06313	0.8
123.47195	0.7
139.11288	26.6
140.11607	1.3
165.09235	1.0
181.12344	16.7
182.12743	0.9
183.10263	42.4
184.10588	1.3
199.13361	3.8
206.26675	0.7
225.11316	13.4
226.11638	0.8
243.12360	100.0
244.12622	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	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22853	0.4
57.03430	0.5
59.01382	2.9
61.09032	0.4
66.24040	0.4
69.18755	3.1
71.05007	2.7
72.99273	0.5
73.02939	1.4
83.05028	1.0
97.02943	3.6
97.06602	0.9
98.20779	0.7
99.00883	12.0
109.06585	0.5
110.03746	0.6
123.08167	0.5
125.09724	3.0
135.08159	0.7
136.05338	0.7
139.11311	1.9
142.02725	0.7
142.81166	0.4
151.07590	0.4
153.12837	0.7
155.14432	1.3
163.11298	5.4
171.10277	1.9
181.12346	14.5
182.12679	0.4
183.10255	2.6
197.11823	1.5
197.15462	2.3
199.13405	11.8
200.13794	0.6
207.10266	28.4
208.10597	1.3
215.12840	0.5
225.11324	51.0
226.11592	1.9
243.12370	100.0
243.15901	6.0
244.12717	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	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03444	2.3
59.01378	48.9
60.01704	0.4
60.99324	0.4
61.98814	1.6
67.01894	0.5
69.03443	0.3
71.04986	0.4
71.52576	0.4
73.02953	2.9
73.38872	0.3
83.05016	0.7
93.03506	0.3
95.05005	0.7
96.96022	0.4
97.02924	0.4
97.06578	0.3
99.00877	0.4
99.92596	0.9
109.06596	0.4
110.02514	0.8
111.00884	0.4
115.07594	0.3
137.09724	0.9
139.11292	40.3
140.11620	1.4
157.07733	0.4
163.11276	1.2
165.09201	1.3
171.10249	0.3
181.12335	20.4
182.12688	0.6
183.10252	51.3
184.10577	1.6
195.13911	0.4
197.15466	2.3
199.13380	7.0
200.13728	0.4
207.10263	1.4
217.97430	0.3
225.11313	15.3
226.11563	0.7
243.12357	100.0
243.15923	7.9
244.12672	3.4
244.16396	0.6
244.40070	0.3
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	Unknow
Peak:m/z	Relative Intensity
57.03421	0.9
59.01384	3.2
69.26403	1.1
69.26801	3.4
71.01372	1.3
71.05018	3.4
73.02953	2.8
79.00420	0.5
83.05016	1.5
87.98756	0.8
97.02958	5.2
97.06573	1.9
99.00879	22.3
109.06579	1.0
110.03702	2.1
123.08120	1.1
125.09721	6.8
127.11282	1.2
135.08142	0.7
136.05258	1.2
139.11281	1.5
142.02701	1.7
153.12854	1.5
155.14465	1.2
163.11301	7.8
171.10225	1.1
179.10786	0.8
181.12344	23.2
182.12564	1.0
183.10281	2.2
197.11867	1.3
197.15419	2.9
199.13396	19.3
200.13707	1.2
207.10252	44.6
208.10689	1.4
225.11307	78.4
226.11610	2.2
243.12355	100.0
243.15906	9.0
244.12627	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	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76378	0.3
57.03448	2.7
59.01378	39.2
69.03466	0.4
71.01369	1.7
71.05041	0.3
72.99325	0.7
73.02946	2.7
82.67870	0.3
83.01398	0.3
83.05020	1.4
85.02952	0.8
85.06596	1.2
95.05055	0.5
97.06599	0.8
101.00097	0.3
101.02467	0.4
108.95733	0.2
111.04449	0.4
113.02435	0.3
121.10262	0.4
123.08201	0.8
125.09604	0.3
135.08276	0.3
137.09738	1.2
139.11288	33.2
140.11655	0.8
141.12827	0.4
151.11330	0.6
152.30670	0.4
155.10764	0.7
157.07623	0.4
163.11292	1.6
165.09206	1.5
171.10280	0.9
179.10783	0.4
179.14435	1.2
181.12338	15.6
182.12695	0.4
183.10254	40.8
184.10619	1.2
195.13885	2.8
197.15462	34.2
198.15877	1.0
199.13393	5.3
201.11330	3.9
207.04381	0.7
207.10210	0.8
223.04306	1.6
225.11314	10.6
225.14697	1.5
226.11673	0.3
227.03473	1.0
241.14417	0.5
243.03029	0.7
243.12360	74.6
243.15997	100.0
244.12718	2.8
244.16318	4.2
255.02985	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	243.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50961	0.1
52.73422	0.2
55.01870	0.3
57.03445	1.6
57.44463	0.1
57.74464	0.1
59.01379	14.7
59.78011	0.1
60.01714	0.1
60.02060	0.1
64.43810	0.1
69.03465	0.2
69.50364	0.9
71.01367	0.4
72.99290	0.2
73.02939	0.5
74.00139	0.1
83.05030	1.2
84.02168	0.4
85.02972	0.3
85.06597	1.2
95.05058	0.3
97.06596	0.3
98.20679	0.1
109.06536	0.2
109.28839	0.1
122.09676	0.1
123.08165	0.6
124.36164	0.1
135.08119	0.3
137.09724	0.6
139.11292	15.5
140.11633	0.4
141.12857	0.6
151.11284	0.6
157.07642	0.2
163.11325	0.9
165.09201	0.6
167.14401	0.6
171.10233	0.2
177.12848	0.2
179.10742	0.3
179.14430	1.2
181.12334	6.6
182.12691	0.3
183.10255	14.2
184.10570	0.5
195.13882	2.4
197.15462	35.6
198.15834	1.4
199.13367	1.8
201.11317	1.1
202.38284	0.1
207.04533	0.2
223.04234	0.2
225.11320	3.8
225.14844	1.3
227.03464	0.2
241.14456	0.6
243.12364	27.0
243.16000	100.0
244.12711	0.9
244.16313	4.0
255.03056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0621
Annotation	Uridine
Peak:m/z	Relative Intensity
53.87016	0.7
59.01375	2.0
60.42002	0.6
61.98819	1.2
66.03487	14.2
66.42723	0.7
68.01408	3.2
70.75617	1.9
71.01380	2.4
82.02481	1.5
82.02983	30.3
83.01401	1.9
87.00858	0.6
94.02991	2.4
96.04559	1.4
99.00893	1.1
108.04561	2.5
110.02480	100.0
111.00875	1.0
111.02014	8.1
111.02802	2.1
112.98823	2.8
117.01947	0.9
120.04507	0.7
122.02487	8.4
124.04063	3.1
132.03053	0.7
140.03543	10.4
142.99875	1.8
152.03535	18.6
153.03065	13.0
173.00916	3.7
200.05638	43.7
201.06004	1.4
205.03578	1.7
243.06215	36.6
244.06609	1.4
259.27100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.8
57.03459	7.3
59.01378	10.7
60.99312	1.5
61.98831	3.4
65.52315	1.9
67.01884	4.4
69.03452	2.2
69.21918	1.3
71.01382	2.5
71.04996	2.1
71.49024	1.4
73.02953	2.1
74.84721	1.5
78.91892	11.1
80.02717	1.7
81.03471	2.1
83.05027	17.3
84.02171	31.0
85.02953	38.3
85.06624	2.2
87.00880	6.3
87.04497	2.5
93.03487	2.1
95.05035	2.8
97.06596	4.5
99.08160	2.0
101.02421	2.2
106.70949	1.6
107.05013	4.1
108.02177	3.1
109.01707	2.8
109.06538	1.4
111.04543	2.6
111.08047	1.6
119.08640	2.8
121.06590	13.2
122.07362	2.6
123.08150	22.9
125.09734	40.2
126.44926	1.5
127.11288	2.8
135.08159	8.1
137.09724	100.0
138.10081	2.7
139.11328	3.0
151.07646	2.3
153.09148	4.0
155.10777	58.9
169.08694	34.6
181.08705	69.2
181.12221	3.2
182.09087	2.4
183.10237	10.3
197.15558	2.4
198.94102	2.3
199.09758	41.0
200.10057	2.2
207.10197	1.6
211.06116	4.8
225.11345	6.4
242.92937	9.0
243.06602	2.4
243.08783	24.4
243.12450	20.9
243.15831	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	241.181
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
54.00755	0.5
57.03427	1.1
59.01381	4.7
61.98831	18.5
63.76161	0.5
69.92131	2.3
71.01377	1.2
85.02950	0.6
98.20742	0.6
99.08157	7.0
101.77672	0.6
103.92024	2.3
113.09708	3.2
121.06679	0.5
123.08155	2.7
125.09736	1.8
141.09225	16.5
152.50148	0.6
156.97807	0.7
195.13960	1.6
195.17639	1.6
197.11748	1.8
197.15340	0.7
201.74551	0.5
213.91638	0.7
222.98796	0.7
223.17032	2.0
241.14606	7.1
241.18091	100.0
241.21529	3.2
242.18495	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	242.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99799	0.4
52.01889	1.5
52.35748	0.4
58.99604	23.8
59.01374	3.9
61.98832	2.4
66.03486	31.2
66.63149	0.5
70.55998	1.2
74.83663	0.4
74.99104	1.4
83.01399	0.8
88.78588	0.5
90.27399	0.4
95.05019	0.5
96.99953	0.6
102.98596	61.0
107.04990	0.5
112.02269	100.0
112.99628	0.5
113.02600	1.8
120.99651	9.1
121.06504	0.5
122.06081	0.5
123.08203	1.0
132.49219	0.5
136.04861	0.8
150.05553	0.7
161.61911	0.4
163.00667	1.2
194.04680	0.6
200.03876	1.7
242.14604	0.8
243.08755	1.1
243.16159	0.9
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
61.98830	100.0
71.50468	0.7
71.50867	0.9
81.10339	0.7
94.92503	0.8
99.00917	1.1
112.98809	1.9
113.99206	1.2
125.87350	1.7
141.47342	0.7
142.99863	1.6
144.00278	1.0
145.01573	0.8
153.61159	0.7
173.00949	2.0
180.72012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.6
57.03443	4.1
58.02979	2.7
59.01378	11.1
59.61832	1.2
61.98821	5.5
66.03479	4.1
69.03464	3.2
71.01379	2.5
71.51153	1.4
72.99316	3.2
73.02943	4.4
74.02479	2.5
81.03458	2.1
82.02986	7.1
83.01383	4.7
83.05026	1.3
85.02931	1.7
87.00883	7.5
88.16512	1.3
89.02441	2.7
91.56233	1.2
93.07104	11.1
96.58716	1.1
96.95989	1.1
97.02960	8.1
98.02483	9.9
99.00920	5.7
99.04514	8.8
101.02441	57.2
102.02757	1.4
107.05041	1.8
108.04550	2.1
109.02975	2.2
109.06549	2.9
110.02489	23.6
110.06090	1.5
111.00882	14.1
111.01639	1.3
111.01978	1.7
111.08163	52.6
112.07726	1.1
112.08495	2.0
113.03574	12.4
116.05170	1.2
116.07153	2.0
119.05028	2.8
122.02492	1.4
122.06182	1.5
125.06089	1.7
130.08742	43.7
132.04558	1.7
137.06088	60.9
138.06459	1.4
139.08603	1.2
140.03519	2.5
140.07196	1.8
141.10353	6.0
145.01430	100.0
145.06133	1.5
152.03526	4.1
153.03059	3.1
155.07144	31.5
157.07693	1.6
159.94850	1.8
165.10341	1.7
171.03035	3.3
181.05072	13.5
181.12206	1.2
182.13036	2.1
183.11369	3.5
195.03065	1.6
199.06088	2.7
200.05595	8.6
210.07608	2.2
225.04039	15.1
226.07224	1.2
226.36821	1.3
227.10321	10.2
243.04877	38.6
243.08861	3.5
244.05533	1.6
244.12990	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1444
Annotation	Annuionone F
Peak:m/z	Relative Intensity
55.45467	0.2
57.03450	9.2
60.58628	0.2
71.02567	0.2
73.02956	0.6
83.05032	0.7
85.06587	0.3
109.06586	0.3
123.08170	2.3
123.91464	0.2
129.98888	0.2
134.07382	0.5
137.09718	3.5
139.11276	1.8
149.09702	4.3
150.10080	0.2
151.11267	1.6
161.09685	0.4
163.11275	0.2
165.12866	2.3
167.14377	1.6
177.12857	2.2
179.10812	1.2
193.12354	0.2
195.13893	37.7
196.14207	1.1
220.53500	0.2
223.13452	0.6
239.12863	0.4
241.14442	100.0
242.14767	4.4
264.96323	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	10.0
59.01381	4.6
67.27911	0.1
72.99302	0.3
73.02931	0.6
81.03473	0.1
81.07106	0.2
83.05024	0.7
84.02164	0.2
85.06585	0.3
97.06592	0.1
99.04519	0.1
109.06588	0.2
119.08607	0.1
121.06527	0.3
123.04548	0.2
123.08171	2.2
124.08559	0.1
134.07372	0.3
135.08220	0.2
137.09727	3.7
138.10068	0.2
139.07751	0.1
139.10297	0.1
139.11290	1.8
140.63838	0.1
145.22612	0.1
149.09724	5.0
150.10062	0.3
151.11285	1.8
161.09706	0.4
163.07608	0.1
165.12842	2.8
167.14427	1.3
177.12856	2.3
179.10765	1.5
181.08733	0.9
193.12309	0.3
195.13902	34.1
196.14235	1.7
197.11845	2.8
200.06743	0.1
223.13393	0.5
239.12842	0.4
241.14453	100.0
242.12297	0.3
242.14793	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	241.1082
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
54.22990	0.8
55.69534	0.6
57.03443	2.7
59.01368	1.7
61.98820	3.0
65.35027	0.6
69.03481	3.5
70.26035	1.3
70.26424	1.2
70.36467	0.7
71.05025	5.0
75.76019	0.7
83.05020	2.8
84.79129	0.8
87.29627	0.7
97.06597	0.9
102.72709	0.6
123.08102	1.3
125.09738	1.4
137.09720	1.9
151.11287	1.4
153.12860	2.5
158.47977	0.7
165.12852	0.8
167.05482	0.8
169.56407	0.7
177.09166	1.1
179.10782	6.5
195.13811	4.5
197.11832	100.0
198.12119	4.3
205.55405	0.7
213.16119	0.9
223.09712	2.8
241.05545	2.3
241.10823	95.0
241.14424	16.0
241.21652	1.6
242.11147	4.4
242.14801	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22990	0.8
55.69534	0.6
57.03443	2.7
59.01368	1.7
61.98820	3.0
65.35027	0.6
69.03481	3.5
70.26035	1.3
70.26424	1.2
70.36467	0.7
71.05025	5.0
75.76019	0.7
83.05020	2.8
84.79129	0.8
87.29627	0.7
97.06597	0.9
102.72709	0.6
123.08102	1.3
125.09738	1.4
137.09720	1.9
151.11287	1.4
153.12860	2.5
158.47977	0.7
165.12852	0.8
167.05482	0.8
169.56407	0.7
177.09166	1.1
179.10782	6.5
195.13811	4.5
197.11832	100.0
198.12119	4.3
205.55405	0.7
213.16119	0.9
223.09712	2.8
241.05545	2.3
241.10823	95.0
241.14424	16.0
241.21652	1.6
242.11147	4.4
242.14801	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1653
Annotation	Phomapentenone A
Peak:m/z	Relative Intensity
55.88543	0.5
57.03449	12.0
59.01379	23.9
61.98828	6.0
63.99173	0.5
69.03487	0.5
71.01379	1.9
71.40978	0.6
73.02968	0.7
81.52999	0.5
83.01420	0.4
83.05023	0.5
85.02956	0.6
85.06576	1.0
86.80030	0.4
87.00870	3.4
93.03466	1.0
93.55679	0.4
95.05060	0.5
97.06602	1.5
99.00886	1.0
106.68562	0.5
109.06622	0.5
113.09731	40.1
114.10031	0.8
117.01930	1.0
117.95130	0.5
121.06562	0.7
123.08167	3.7
125.02450	0.8
125.06086	2.2
125.09787	0.5
137.02466	0.7
137.09724	9.4
139.11282	0.8
151.11235	0.7
154.06380	1.0
161.04573	3.6
167.14383	0.7
179.05606	18.1
179.14413	0.6
180.05978	0.8
195.13904	3.1
195.17535	12.5
196.17836	0.6
207.22754	0.5
221.15480	5.3
223.02791	1.5
229.93082	0.4
239.12982	15.5
239.16515	100.0
240.13286	1.0
240.16861	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	239.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88456	0.2
55.53135	0.2
57.03447	0.4
71.01387	0.9
72.99334	0.3
76.20596	0.2
94.68955	0.2
95.08682	0.3
98.19907	0.7
121.06580	2.9
123.08102	0.2
129.02469	0.2
137.09720	52.9
138.10085	1.4
149.09721	1.0
151.11307	0.6
167.14391	0.9
193.12367	0.6
219.10185	0.3
221.11818	0.6
239.12874	100.0
240.13216	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1287
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
50.51296	0.4
54.47575	0.4
57.03447	16.2
59.01377	35.7
64.38371	0.4
67.01889	0.4
69.03448	1.5
71.01375	1.1
73.02941	0.9
74.82076	0.4
79.93108	0.4
81.03452	1.0
83.05022	13.6
85.02956	1.6
87.00884	2.1
93.03450	1.9
93.42107	0.4
95.05023	2.0
96.96014	2.8
97.02931	0.6
97.06579	1.9
99.00868	0.5
108.02103	0.4
109.06582	1.8
111.04567	0.6
111.08141	2.9
119.05074	0.4
120.05787	0.4
121.06582	3.0
121.10214	2.9
123.04511	0.4
123.08125	2.9
123.09597	0.5
133.10153	0.5
134.07378	1.2
135.04486	0.7
135.08186	1.4
137.02461	1.8
137.09714	7.0
139.11278	0.8
141.05545	2.2
141.07051	0.4
147.08090	0.5
149.09724	1.3
151.07613	0.5
151.11243	2.2
152.01231	0.6
153.09171	1.5
159.08150	2.0
159.10429	2.6
159.11786	2.4
161.04543	1.8
161.09705	5.9
162.10437	0.9
162.80672	0.5
165.09116	0.5
165.12907	0.5
167.03453	0.8
167.10770	1.7
167.14435	0.5
175.11234	1.2
177.09248	1.2
177.12837	17.6
178.13103	0.8
179.05589	9.6
179.06976	0.3
181.08716	0.9
195.10258	10.1
195.13896	9.5
196.10597	0.7
221.08267	0.9
221.11858	3.7
223.02879	0.5
239.06180	4.4
239.09398	8.2
239.12878	100.0
240.13181	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
54.83509	0.4
59.01380	7.6
61.98815	1.2
69.62472	1.7
69.62885	1.0
70.35009	0.5
76.20899	0.4
83.05009	0.6
87.00881	0.8
93.03515	0.4
98.20543	0.7
114.34093	0.4
117.01894	0.5
120.87488	0.4
137.09726	4.0
147.20471	0.4
155.91533	0.4
161.04550	1.1
177.12866	3.2
179.05597	5.4
188.81442	0.5
195.13893	100.0
196.14212	4.3
196.20424	0.5
203.10765	0.9
203.71631	0.5
205.32719	0.4
239.12875	21.3
240.13229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	10.6
59.01381	9.9
64.01060	0.3
69.03446	1.5
71.01338	0.4
71.50916	0.4
81.03482	0.5
83.05030	5.9
85.02978	0.5
87.00864	1.7
93.03482	2.1
95.05029	6.4
96.95973	0.4
97.02950	0.8
97.06590	7.8
99.00864	0.6
101.68677	0.3
107.05066	0.4
109.06570	0.9
111.08143	0.9
117.01943	0.4
121.02947	0.5
121.06601	1.4
121.10255	1.9
123.08175	5.4
131.52397	0.4
134.07385	0.8
135.08168	1.5
137.02426	1.6
137.06090	0.5
137.09727	2.5
139.03998	0.4
140.11403	0.4
143.08667	0.5
149.09715	0.4
151.11266	1.6
153.09265	0.6
159.11766	1.1
160.15594	0.3
161.04561	1.3
161.09718	1.9
167.07132	0.7
175.11281	1.0
177.12856	5.8
179.05608	8.6
179.07204	0.4
179.10764	1.6
187.27057	0.3
193.12277	0.6
195.10287	0.6
195.13943	3.0
196.06207	0.5
221.08138	0.6
221.11884	1.8
239.01955	1.2
239.12885	100.0
240.13211	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	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01383	6.6
61.98799	1.2
62.43290	0.6
70.78740	1.6
78.50665	0.6
87.00876	1.3
95.05010	0.8
101.02451	0.7
101.06081	7.1
109.06602	3.9
111.08149	5.9
120.02479	0.6
122.03783	0.6
125.09763	1.1
128.33362	0.6
135.11850	0.6
137.09729	3.6
138.06879	1.3
139.04016	11.0
154.06355	31.6
155.06706	0.9
161.04514	1.0
167.14412	8.8
179.05617	5.2
179.10742	3.4
182.05881	3.3
195.13901	100.0
196.14258	4.2
197.84921	0.6
210.18071	0.6
218.44435	0.5
220.49640	0.6
222.18758	0.6
239.12875	13.3
252.61522	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93024	0.2
57.03446	0.8
60.05907	0.1
68.87212	0.2
69.85657	0.6
71.01386	1.1
72.99303	0.8
81.03457	0.2
85.87249	0.2
87.00880	0.2
95.08667	0.7
100.51642	0.2
109.06602	0.2
121.06593	7.1
122.06907	0.3
123.08174	0.3
126.81992	0.2
137.09718	91.8
138.10068	3.0
139.52150	0.2
149.09708	2.1
151.11264	1.1
165.12848	0.2
167.14395	1.0
175.11256	0.4
178.09930	0.3
193.12309	0.6
211.13214	0.2
219.10208	0.2
221.11887	0.6
239.12872	100.0
240.13193	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	239.0925
Annotation	CMPF
Peak:m/z	Relative Intensity
52.63881	0.5
55.01878	0.7
56.52118	0.6
57.03454	6.9
59.01379	27.5
69.03453	0.6
69.97113	2.8
71.01378	0.8
71.05009	0.8
79.01863	0.6
81.03457	0.6
83.05030	13.4
85.02934	1.9
87.00891	1.2
87.04471	0.5
92.02711	2.4
93.03458	100.0
94.03799	2.2
95.01397	7.8
95.05009	1.1
96.55532	0.6
100.27674	0.6
107.05033	2.7
107.63643	0.6
108.02167	7.2
109.06568	1.1
111.08162	1.5
119.05029	2.2
121.06680	0.7
123.00850	1.0
123.08145	1.8
135.08179	1.3
136.01656	2.2
137.02446	81.9
137.09712	3.9
138.02776	3.0
139.11273	2.6
141.05608	1.4
149.09703	1.3
151.11253	2.6
153.09239	1.0
161.04578	0.9
161.09753	1.0
165.12859	0.8
167.14369	0.7
177.09186	1.4
177.12862	5.1
179.05629	8.7
180.64644	0.6
195.10254	8.8
195.13911	25.6
196.14200	1.3
221.11852	0.6
229.68427	0.7
239.09248	58.7
239.12851	14.4
239.15520	1.6
240.09554	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17216	0.4
52.32936	0.5
52.68891	0.4
59.01379	6.6
61.98831	1.5
87.00867	1.5
98.19812	0.9
111.62949	0.5
125.02411	0.5
137.09714	3.8
161.04605	0.7
177.12857	2.3
179.05602	4.5
195.13890	100.0
196.14200	3.5
198.12395	0.5
198.64005	0.5
229.01859	0.5
239.12874	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	238.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01376	12.5
61.98819	1.6
69.34666	3.4
71.01382	0.8
81.95314	1.7
81.96129	0.4
85.02962	0.8
87.00870	2.0
94.02998	1.0
97.02934	0.6
99.00882	1.1
107.08646	1.2
108.04566	0.6
118.11545	0.4
121.06586	0.8
124.06878	0.5
132.04547	5.4
133.05350	10.3
133.06436	0.6
134.09731	1.3
135.08176	1.5
137.09723	14.1
141.38205	0.5
146.06148	2.9
147.06906	24.6
148.07640	2.4
151.11319	0.6
161.04544	2.1
161.08449	1.7
162.09242	100.0
163.09563	3.8
165.04323	4.3
176.07169	1.5
179.05640	12.2
179.07118	1.0
181.08876	0.6
193.07437	1.1
206.08214	24.9
207.08566	0.7
238.11018	5.0
239.12878	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1495
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
59.01378	74.5
61.98827	38.4
69.03458	15.2
69.16224	4.3
69.16640	9.0
71.01385	3.2
73.02953	1.4
95.05005	1.7
97.06591	45.8
98.19960	3.9
101.02427	1.8
105.45060	1.4
109.47131	1.4
116.92867	6.4
121.02962	2.1
121.10236	8.1
122.03712	2.4
123.00916	2.1
123.08165	53.1
128.28989	1.3
136.89177	4.1
137.09653	1.7
139.07623	10.1
147.11784	9.7
149.05981	1.7
150.93517	1.5
167.07104	7.1
175.14914	9.7
179.10768	8.2
191.84607	2.9
193.08733	2.4
193.16000	2.0
199.85144	2.2
200.06903	1.7
211.86084	1.4
219.13898	6.2
236.97295	2.2
237.11159	3.7
237.14938	100.0
238.15279	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	238.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75778	0.4
54.97565	0.4
57.91315	0.4
59.01380	10.6
60.48264	0.5
61.98830	8.9
71.01397	0.7
71.28267	0.8
73.02961	0.5
84.94119	0.4
85.02911	0.7
87.00883	1.6
94.02985	2.2
96.95781	0.5
99.00904	1.1
103.72869	0.5
106.04258	0.6
107.03724	0.8
107.05042	0.6
107.08646	0.6
118.03060	0.5
119.08671	1.1
120.09160	0.4
121.06624	0.6
127.52277	0.4
131.03728	0.9
132.04550	5.5
132.08189	0.8
133.05344	7.2
134.09790	2.4
135.08182	2.1
137.09724	11.0
146.06140	3.1
147.06897	19.2
148.07719	2.8
161.04602	1.5
161.08469	1.0
162.09244	100.0
163.09593	3.9
165.04288	1.9
171.10274	0.5
176.07164	1.4
179.05659	8.6
179.07159	1.1
192.93097	0.5
193.07526	0.8
194.12634	0.5
206.08209	20.8
207.08606	1.5
234.47176	0.5
238.10828	11.8
238.15048	0.6
239.07451	0.6
239.12898	17.1
250.88971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1495
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
57.03435	2.3
59.01377	7.8
60.39935	0.6
61.98822	3.8
69.03425	0.7
70.99667	1.1
71.01376	1.6
72.99310	0.7
75.00830	0.6
81.46175	0.6
83.05030	1.7
89.02423	0.6
95.05032	2.8
97.06598	1.2
101.51414	0.6
101.65669	0.7
101.66299	0.6
111.00890	0.5
111.07388	1.2
111.08161	23.1
113.09734	0.7
116.92919	0.7
121.06588	1.2
123.08161	14.4
125.06063	3.9
137.09642	0.8
139.11285	2.7
144.76709	0.5
149.05617	1.0
149.09680	0.7
173.95186	0.6
177.09081	1.8
177.12743	0.6
178.09544	8.7
192.11601	1.9
193.11945	9.3
193.15962	16.5
194.16333	1.0
218.09047	0.8
219.09865	1.7
219.13838	3.3
221.06998	1.6
237.10884	36.2
237.14931	100.0
238.11234	1.1
238.15317	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	237.1495
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
57.03447	17.0
59.01379	24.7
59.67701	0.8
61.98829	26.3
64.80371	0.8
70.69653	1.1
70.69984	1.7
71.01405	1.5
83.01402	1.0
83.05022	3.5
90.24022	1.0
101.02435	1.1
108.92412	1.0
109.06595	1.8
111.19241	0.8
113.02499	1.0
114.58385	0.8
116.92860	3.7
118.24336	0.9
118.83227	0.8
121.02994	1.4
129.01952	1.6
136.89160	1.3
137.09627	0.9
149.04919	0.9
149.06050	1.3
165.02051	1.0
167.10785	3.4
175.11299	1.4
177.12869	1.3
179.10793	4.9
191.84729	1.1
193.16071	2.2
195.13927	4.3
199.85081	1.9
200.85178	0.9
209.94675	1.3
219.13876	1.0
237.14952	100.0
238.15358	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	237.1496
Annotation	Canusesnol H
Peak:m/z	Relative Intensity
51.17235	0.5
56.05427	0.6
57.03446	9.1
59.01381	28.1
68.21171	0.6
68.99789	0.6
69.03442	1.9
69.29175	5.0
72.99310	6.6
80.02689	0.9
81.07083	1.3
83.05013	5.7
85.02948	24.9
87.04507	1.0
93.07084	0.8
95.01377	1.2
95.05045	1.1
96.02163	1.4
97.02933	3.4
97.06578	2.4
98.03733	23.3
107.05025	1.3
109.06588	3.3
113.06093	0.9
113.64256	0.7
119.05062	0.9
121.06512	1.1
121.10275	1.0
123.08142	2.2
127.07621	0.6
133.06595	0.8
133.10287	1.1
135.08163	6.6
137.09726	5.7
141.07108	0.7
147.08195	0.8
147.11775	1.7
149.09691	0.8
153.09218	3.2
157.10201	0.6
159.08154	3.0
160.08904	2.5
161.09711	0.9
161.88387	0.7
163.11295	6.6
165.12849	0.8
173.09705	1.3
175.09784	1.2
175.11267	14.8
177.12802	1.4
189.12830	0.8
191.10785	6.2
191.14442	1.1
193.12331	4.2
195.13882	3.8
199.11188	0.9
201.12840	2.8
204.11594	3.5
209.15472	2.0
217.12302	0.9
219.08664	0.4
219.10284	18.8
219.13852	18.9
220.10623	0.9
220.14238	0.9
235.13197	0.6
237.14948	100.0
238.15331	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	237.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.9
59.01376	13.6
61.98827	1.7
68.59597	0.9
69.70496	3.2
69.70905	1.7
72.99310	49.8
81.03486	0.9
81.07081	1.4
83.05019	3.7
85.02969	8.7
91.05540	1.5
91.32437	1.0
93.03441	1.0
97.06571	1.2
98.03747	8.3
106.61582	0.9
107.05037	1.3
109.06557	1.1
119.05022	3.0
120.80110	1.0
121.06547	2.6
123.08155	1.8
133.10205	3.8
135.08131	2.5
137.09700	8.7
141.07072	1.8
145.06567	4.2
145.08456	1.0
147.08131	1.8
157.06535	2.3
157.10191	3.3
159.08165	16.3
160.08942	16.9
161.09540	1.1
163.11281	40.5
164.11609	1.2
173.09718	7.6
175.11275	69.4
176.11551	4.2
186.00073	0.9
191.10771	1.6
193.12282	2.0
195.13910	1.7
219.10254	100.0
219.13821	6.0
220.10547	4.5
237.11389	5.7
237.14952	28.9
238.15068	1.7
247.53192	1.0
247.85254	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1496
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
57.03444	12.5
59.01384	29.1
68.99808	1.4
69.03462	1.5
78.84705	0.7
81.07097	1.2
83.05021	5.9
85.02949	25.7
87.04502	2.5
90.77470	0.7
93.07140	0.9
95.01397	1.6
96.02190	1.1
97.02932	2.9
97.06572	2.4
98.03737	24.1
98.20635	1.4
107.05023	1.4
109.06570	3.7
120.05859	0.8
123.08169	1.7
135.08141	8.0
137.09720	4.6
139.11302	1.1
147.11757	1.1
149.09686	1.7
153.09200	2.9
161.09721	1.9
175.11180	2.3
177.12869	2.5
183.14470	0.8
185.09700	1.1
191.10774	6.4
191.14484	0.8
193.12302	1.7
195.13829	4.7
199.11305	2.3
201.12872	3.1
203.10754	1.5
204.11554	3.4
209.15437	1.9
217.12354	1.0
219.13901	17.8
237.14955	100.0
238.15326	5.4
255.48489	0.7
257.40515	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1131
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
51.50867	0.7
57.03445	8.8
59.01371	7.4
61.98843	1.0
72.99306	43.6
75.60771	0.7
78.05437	0.8
81.07066	0.9
83.05013	2.5
85.02935	2.3
87.23915	0.8
89.06087	1.7
91.43040	0.8
95.05014	6.0
97.06580	3.5
98.03731	1.8
98.20665	2.0
102.53855	0.8
109.06564	1.7
119.05048	1.8
121.02957	3.5
121.06570	1.6
121.10209	2.1
123.08165	2.4
133.10242	4.7
134.03674	1.1
135.08188	1.3
137.09711	6.9
141.07114	2.3
145.06581	4.1
147.08144	2.1
149.09732	0.9
151.11295	1.5
157.06570	1.8
157.10220	3.4
159.08139	17.0
160.08939	17.7
163.11284	38.2
164.11610	1.8
173.09665	7.0
175.11275	73.2
176.11588	3.8
193.12387	2.6
219.10248	100.0
220.10631	5.3
237.07666	1.1
237.09047	1.5
237.11331	27.5
237.14854	6.9
238.11588	0.8
247.74176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.8
61.98828	3.8
66.24091	0.4
71.51829	0.4
71.52258	0.5
71.62309	0.5
79.95737	100.0
81.46340	0.4
100.07686	1.5
126.12018	0.6
126.12898	7.0
170.11830	2.0
172.13435	14.2
190.82648	0.4
236.09612	92.5
237.09824	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	236.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43020	0.1
59.01379	1.7
60.01714	0.1
61.98834	1.6
71.51698	0.2
73.02962	0.2
76.15164	0.1
99.92587	0.2
109.02959	0.1
110.00877	0.1
116.92888	0.4
117.44878	0.1
134.03755	0.5
134.89481	0.3
135.04495	0.3
136.05280	0.2
136.89122	0.2
147.04504	0.1
148.05309	6.7
149.06015	0.3
149.09749	0.9
162.06868	0.4
175.07640	0.3
176.08426	0.5
177.09206	37.0
178.09561	1.4
180.07954	0.2
189.85135	0.3
190.09990	1.7
191.10811	0.7
192.11555	28.1
193.11935	1.1
199.85139	0.4
200.85165	0.2
201.09268	0.5
203.07199	0.7
206.09433	0.1
217.08694	2.8
217.10800	0.2
218.09462	7.2
219.09804	0.3
221.08203	0.2
223.51517	0.1
224.10632	0.2
235.81775	0.1
236.10526	100.0
237.10902	4.4
237.14934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14154	0.2
59.01383	0.4
61.98828	100.0
65.40893	0.2
69.97346	0.4
69.97734	0.5
71.01380	1.2
72.99323	0.3
74.02480	0.3
75.00878	0.6
78.95907	2.1
87.00861	1.4
89.02454	0.4
97.18700	0.2
108.04607	0.4
115.00368	1.8
118.68523	0.2
120.99670	0.2
122.89449	0.7
122.99226	0.3
124.98797	0.3
129.01965	0.4
133.01431	3.4
133.05089	0.9
135.01985	0.4
135.03021	2.0
135.92088	1.9
142.99861	4.5
143.00911	0.3
146.04614	0.3
146.30313	0.2
162.94022	1.0
173.00969	0.7
173.81645	0.2
236.00015	0.2
236.10529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.4
61.98830	100.0
69.72654	0.8
69.73049	0.9
71.01391	1.3
72.99285	0.4
73.02934	0.6
78.95905	55.7
82.12540	0.3
85.02972	0.6
87.00877	0.5
87.52220	0.4
89.02438	0.9
95.33636	0.3
96.96955	3.6
98.19902	0.7
101.02470	0.8
120.99643	0.5
122.89486	0.4
122.99243	0.8
142.99870	4.2
171.07521	0.3
173.00911	1.1
197.90355	2.0
219.16115	0.4
236.10573	13.6
236.94481	0.3
237.09418	0.3
246.06563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1087
Annotation	3061-90-3
Peak:m/z	Relative Intensity
59.01377	9.4
61.98824	1.8
70.02985	0.9
71.01372	5.0
71.51107	0.5
72.00893	0.5
72.99313	0.5
73.02967	0.8
78.95925	0.4
85.02939	1.0
87.00879	0.7
87.04540	2.5
87.05637	51.4
88.06001	0.5
89.02455	0.8
91.05546	2.0
93.03440	2.1
101.02422	0.8
104.29012	0.4
105.03793	0.7
108.02161	0.6
111.00855	0.7
112.98867	0.4
113.02465	0.5
117.03467	28.6
119.05030	11.1
121.02964	7.9
123.04492	1.8
126.06724	0.4
131.05034	1.6
132.05795	3.1
133.02956	1.4
133.06595	5.3
134.03741	0.7
135.04515	1.3
145.02951	100.0
146.03293	2.4
147.04524	13.1
158.03734	1.4
159.04515	5.6
160.05281	1.5
161.06071	34.1
162.03275	2.1
162.06369	1.1
163.03992	5.2
164.07152	5.0
173.06058	0.6
174.01846	0.6
175.04076	0.5
177.05539	1.7
187.04002	23.2
188.04364	0.8
191.07124	13.1
191.11893	2.5
205.05029	3.2
217.04971	0.5
220.03569	0.4
235.06099	6.4
235.08598	1.6
235.10860	47.4
236.11156	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	235.1339
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
51.83089	0.3
53.80411	0.2
57.03447	6.8
59.01377	2.8
62.80109	0.3
71.01395	0.5
72.02171	0.3
81.03445	0.8
81.07106	0.7
83.05031	1.0
85.02948	5.2
87.00867	0.6
87.04510	0.8
91.05566	0.4
93.03424	0.3
95.05017	1.1
95.08679	1.0
97.02938	0.4
97.06571	0.5
98.19898	0.8
101.70991	0.2
101.74464	0.3
107.05028	1.0
111.04516	0.3
113.02440	0.4
113.06107	1.5
119.05000	0.4
121.06598	4.2
121.10246	2.5
123.08147	0.4
133.06589	0.6
135.08138	0.7
137.09721	26.5
138.10040	0.8
144.05757	0.4
145.02931	0.6
145.10202	0.4
147.08153	6.1
149.09703	0.4
153.09216	0.4
157.06577	1.6
157.10155	0.3
159.08142	1.1
161.06134	0.7
161.09648	0.6
163.11282	100.0
164.11639	3.5
164.61571	0.4
165.09171	1.6
165.12845	0.4
173.09703	3.1
174.10309	0.4
175.07683	0.4
175.11269	5.6
176.08446	0.4
183.08078	0.7
187.07709	0.3
187.11250	0.6
189.09198	0.5
189.12823	1.8
191.10794	2.3
193.12387	0.4
199.11191	1.6
201.09193	11.8
202.09959	3.0
215.10770	0.8
217.12315	52.9
218.12630	2.8
229.17145	0.4
235.13377	73.6
236.09230	1.0
236.13721	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	235.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
59.01378	25.7
61.98829	5.1
67.01889	35.6
68.99809	3.2
69.03482	1.1
70.68920	0.7
71.01394	1.2
71.70047	0.7
73.02943	0.9
78.53141	0.8
79.01894	1.4
81.03458	5.9
83.01382	4.7
84.99318	1.6
85.02951	1.1
88.67405	0.9
93.03492	1.0
95.01385	20.8
97.02901	1.0
107.01389	25.0
108.02176	1.9
109.02964	4.5
110.00086	2.9
111.00883	21.6
112.98828	4.7
119.05019	1.1
121.02937	1.6
122.03784	1.7
123.00884	36.1
125.02449	11.5
134.89517	1.2
137.02422	1.0
137.99612	0.9
138.03244	7.8
139.00374	3.9
145.02934	1.0
147.03012	0.8
147.04442	0.8
148.05228	0.9
151.00378	4.1
153.01778	0.8
161.06062	0.9
163.07666	0.8
165.70236	0.8
166.02708	100.0
166.40083	0.7
167.03085	2.3
176.08414	2.8
178.10011	1.8
178.23004	0.8
180.58473	0.7
191.07083	1.8
191.10687	1.2
199.85033	1.5
207.95203	1.8
234.97801	0.8
235.06067	1.1
235.09763	4.5
235.13417	3.5
235.16110	0.9
236.14120	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	235.0611
Annotation	DECARBOXYHYDROXYCITRINONE
Peak:m/z	Relative Intensity
57.99097	0.1
58.00587	0.3
59.01373	3.6
71.01382	4.4
72.99329	0.3
83.53132	0.1
85.02967	0.2
85.73434	0.1
87.00873	0.2
89.02449	0.4
93.03451	1.3
96.77455	0.1
105.03471	0.2
108.02162	0.3
111.00867	0.4
116.14799	0.1
117.03464	27.6
118.03673	0.3
118.04295	0.5
119.05028	12.6
120.05362	0.4
121.02959	8.0
121.77195	0.2
122.03277	0.4
123.04534	2.2
126.85379	0.1
130.04247	0.7
131.05008	1.8
132.05817	3.7
133.02963	1.4
133.06599	5.6
134.03746	0.9
134.06821	0.1
135.04520	0.5
137.05992	0.2
139.02765	0.4
143.05038	0.3
145.02950	100.0
146.03285	2.8
147.04506	1.3
148.05193	0.2
149.02443	0.1
149.06067	0.5
155.04950	0.2
158.03743	1.2
159.04503	5.3
160.05286	1.2
161.06075	36.2
162.03229	2.6
162.06429	1.2
163.03996	6.1
163.07674	0.2
164.04494	0.2
173.06067	0.5
175.04001	0.5
176.04739	0.4
177.05551	2.3
187.03999	24.8
188.04338	1.0
191.07129	13.0
192.07431	0.5
205.05029	3.1
217.04973	0.8
220.03687	0.2
235.03708	0.3
235.06096	6.3
236.06480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0611
Annotation	DECARBOXYHYDROXYCITRINONE
Peak:m/z	Relative Intensity
58.00591	0.2
59.01378	3.4
71.01379	4.3
72.99301	0.3
73.02964	0.2
75.00874	0.2
89.02434	0.6
93.03453	1.3
105.03421	0.2
111.00914	0.4
117.03465	30.0
118.03728	0.5
118.04258	0.8
119.05026	11.0
120.05404	0.3
121.02959	7.8
122.03232	0.2
123.04520	1.5
130.04242	0.7
131.05028	1.4
132.05820	3.3
133.02983	1.1
133.06601	6.0
134.03752	0.8
134.06987	0.2
135.04553	0.2
143.05055	0.2
145.02953	100.0
146.03278	3.3
147.04562	0.7
149.06116	0.2
158.03691	1.2
159.04518	5.4
160.05289	1.6
161.06078	36.1
162.03233	2.6
162.06482	1.3
163.04012	4.2
173.06094	0.6
176.04684	0.2
177.05568	2.4
187.04001	26.4
188.04349	1.0
191.07130	13.8
192.07471	0.6
205.05046	3.2
217.04991	0.7
222.87276	0.1
235.03746	0.3
235.06100	6.3
236.06454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.9656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
61.98829	21.6
67.08022	0.4
70.89012	0.5
70.89317	0.6
71.01384	16.2
72.99307	5.3
78.95904	0.5
87.00895	0.9
88.04041	0.9
89.02435	4.3
115.00375	45.7
116.00718	0.5
117.99994	0.4
119.97895	0.4
120.99662	8.4
130.89438	0.4
132.03011	0.6
133.01431	100.0
133.05067	1.7
134.01750	1.1
135.95647	14.2
149.04570	3.8
157.90862	0.5
159.27135	0.4
159.51007	0.5
160.06145	1.0
162.98473	1.9
171.97389	1.0
176.94193	0.4
180.99760	0.4
185.98924	0.8
191.94626	21.6
233.15526	0.7
233.91760	0.9
233.95647	3.2
234.04321	0.5
234.96797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01163	0.3
59.01382	4.2
61.98825	7.5
65.15945	0.4
71.01389	2.1
71.01745	0.4
71.50422	0.7
72.00906	0.6
72.99319	1.3
78.95890	0.6
82.02979	0.5
85.01138	0.4
87.00880	1.0
89.02485	0.5
92.05060	1.1
94.02962	1.0
95.00381	0.4
96.96011	4.5
98.00713	2.1
98.95585	1.1
101.02436	0.6
102.94264	0.4
103.02266	1.6
104.03539	1.6
105.03778	0.6
112.04049	0.6
113.02411	0.4
115.00362	2.4
120.99654	100.0
122.00049	0.5
128.01776	0.8
131.03799	0.5
133.01442	4.2
133.05067	5.6
134.04706	1.6
135.95653	5.3
141.91318	0.4
144.04559	0.9
145.02962	0.9
146.00929	0.4
146.02805	5.3
146.06149	0.7
147.04842	0.7
148.04021	2.5
152.91736	0.6
161.04582	0.5
169.02892	0.4
170.88432	2.0
173.07172	1.0
174.87735	0.5
190.08698	0.5
191.94624	7.7
197.90227	12.6
215.91315	1.7
233.88051	0.6
233.95741	0.7
234.04427	2.1
234.07785	0.8
234.09760	2.1
234.15814	2.7
235.02527	0.4
235.07199	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	234.1499
Annotation	Huperzine W
Peak:m/z	Relative Intensity
50.00771	0.1
59.00539	0.1
59.01379	1.8
60.01725	0.2
61.98814	0.2
70.69452	0.2
93.03430	0.2
94.03820	0.1
151.07648	0.2
177.12822	0.2
179.07129	0.5
190.01344	0.1
207.13869	0.4
218.11858	1.9
219.12547	0.4
234.14983	100.0
235.12964	0.3
235.15318	5.3
251.11601	3.3
252.12141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0947
Annotation	Polyprenyl phosphate
Peak:m/z	Relative Intensity
59.01376	1.0
66.45938	0.4
67.17188	0.5
70.05518	1.7
78.95906	100.0
85.75780	0.4
96.96964	76.1
116.43536	0.4
233.09474	71.2
234.09895	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.103
Annotation	ascr#11
Peak:m/z	Relative Intensity
53.01511	1.0
56.03896	1.0
57.03442	0.9
59.01380	100.0
59.07306	0.9
67.01901	2.1
69.03449	4.4
71.01372	8.1
71.05022	15.9
71.50685	1.2
73.02953	1.3
81.03475	1.5
83.01385	0.9
83.05004	4.4
85.02946	2.0
87.04516	1.7
93.03459	11.0
96.96017	1.5
97.06625	1.8
99.00864	1.3
99.04505	2.0
101.02414	1.1
101.06094	7.0
111.04555	2.9
113.02459	6.0
115.04012	4.5
115.92073	1.0
119.05033	1.1
125.06086	2.5
125.09752	1.9
129.01947	1.7
135.04509	2.5
135.08162	3.9
143.07161	3.5
143.10780	4.5
147.06671	4.4
152.69876	0.8
153.05569	1.0
153.09206	15.9
154.09680	0.9
155.07210	2.3
161.08885	0.9
168.43907	0.8
169.08638	1.5
171.10262	12.5
173.04547	14.7
173.08217	1.3
179.07239	0.9
188.98599	3.1
189.11301	1.6
190.06406	0.9
190.15181	1.0
197.08200	6.5
215.09248	22.8
232.97534	3.1
233.01193	2.9
233.10306	90.5
233.15431	46.9
234.10663	3.6
234.15840	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32784	0.2
59.01379	11.3
59.96723	0.6
60.97514	0.5
67.01891	0.3
71.00191	0.3
71.00523	0.4
71.92909	0.2
74.99071	7.7
75.00819	0.2
85.01217	0.2
91.02225	0.9
93.00134	2.0
93.03475	1.4
99.92586	0.3
111.04537	0.4
118.96209	1.5
134.99397	6.7
136.97321	1.6
141.07434	0.6
143.05304	1.0
149.00957	63.8
150.00912	2.0
150.98897	1.0
159.08469	1.7
161.06396	3.6
173.04564	1.9
188.88017	0.3
188.98515	0.3
201.04033	0.4
214.86559	0.2
215.05647	1.3
217.07204	90.0
218.07317	4.6
230.14833	0.2
233.10335	100.0
234.10481	6.0
234.15810	0.2
235.08325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1349
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
52.67113	0.4
59.01384	1.6
66.61488	0.5
66.92144	0.4
70.07102	1.9
71.01347	0.5
73.04070	15.4
130.08736	87.7
131.09029	1.3
134.06064	1.0
141.10312	0.6
143.05072	0.6
143.10751	0.6
143.11894	22.9
187.10872	100.0
188.11183	2.7
211.39465	0.6
231.13481	31.0
232.13701	0.7
234.01158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1601
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
54.62061	0.2
57.03434	1.0
60.00530	0.2
69.29655	2.0
71.60442	0.2
87.04533	0.3
89.78101	0.2
91.17892	0.2
98.19939	0.5
102.44357	0.3
127.11280	2.0
144.76064	0.3
152.03525	0.7
155.14427	0.7
167.14378	0.4
171.10248	4.2
183.13808	0.6
185.15443	0.3
195.13907	0.5
213.14972	4.1
229.14456	3.2
231.15997	100.0
232.16357	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	232.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	0.6
59.01380	6.1
66.85604	0.3
68.52444	0.3
69.70972	1.1
69.71382	0.8
71.01386	6.5
72.00899	0.3
75.25460	0.3
75.87331	0.3
85.06590	19.6
87.92545	0.4
88.04040	100.0
89.04362	0.7
93.03471	0.9
97.06596	0.5
98.19847	0.3
113.06075	2.9
116.03498	0.5
127.99187	0.3
130.08742	1.7
130.35521	0.3
137.06012	0.4
143.07130	0.4
144.05342	0.6
153.09175	0.3
157.48711	0.3
160.09790	21.8
166.00476	0.3
171.05611	0.3
173.04610	0.6
173.08183	1.7
178.54674	0.3
179.19987	0.3
189.04187	0.5
197.08272	0.4
232.11880	21.6
233.10292	1.2
233.12321	0.6
233.15527	1.8
233.79692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73305	0.5
59.01376	1.7
63.48826	0.5
66.80224	0.5
71.50099	0.9
73.04076	15.6
97.26057	0.5
114.09254	0.7
115.04022	0.6
120.99657	0.6
130.08740	87.0
131.09126	1.1
134.06122	1.2
143.05019	0.7
143.11899	25.2
144.12263	1.0
151.04057	0.5
157.81245	0.5
186.11597	0.6
187.10878	100.0
188.11218	3.6
231.08595	1.0
231.13493	28.8
232.09561	0.6
232.13887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1556
Annotation	Val Ile
Peak:m/z	Relative Intensity
58.21657	0.6
64.55449	0.4
69.39355	3.3
70.44308	0.4
71.12246	0.4
79.67696	0.5
82.06613	0.5
84.08138	0.6
93.83310	0.6
100.02272	0.5
107.80538	0.5
114.09254	1.4
115.08767	4.7
130.08740	32.9
131.09062	1.1
183.15024	0.8
185.16582	27.7
186.16951	0.7
229.10933	3.5
229.15556	100.0
230.15868	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	230.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01107	3.1
59.01379	100.0
68.01405	13.0
71.01394	5.3
74.16227	3.0
76.04710	3.5
82.03017	3.0
90.98532	3.9
98.20650	11.7
143.05052	8.3
205.58452	3.7
209.20490	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	231.0874
Annotation	Jioglutin C
Peak:m/z	Relative Intensity
52.92720	1.1
55.01885	1.5
57.03434	3.2
58.00594	6.4
59.01379	60.1
60.99322	1.4
69.03455	1.8
71.01378	4.1
71.05024	5.2
71.06593	2.6
72.99316	13.5
73.02946	33.1
83.05029	2.5
95.05020	6.1
96.95985	1.3
97.02984	1.9
97.06587	33.9
97.07217	1.9
99.00883	4.2
99.04539	2.9
100.02275	1.5
107.05033	3.5
107.08675	4.8
109.06586	39.5
111.04530	2.2
113.06075	7.5
115.04021	2.8
119.05064	1.9
123.04520	1.9
123.08179	1.4
125.06075	4.9
125.09708	4.9
127.03944	1.1
127.07652	26.8
131.04970	1.6
141.05586	2.6
143.05026	29.4
143.07161	1.9
146.02437	2.4
151.04005	4.6
151.07654	13.9
153.05563	11.9
159.04514	4.1
160.04001	1.6
169.08704	29.3
171.06648	52.6
172.02486	1.2
172.03970	1.4
185.64470	1.2
189.06709	2.9
195.06668	3.8
213.07668	28.4
230.99640	2.8
231.03079	2.5
231.08727	100.0
232.09174	4.1
246.35667	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	229.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
58.00592	1.3
59.01372	0.3
66.03490	0.2
69.03449	0.2
69.22665	2.1
71.01393	0.2
73.02924	0.3
88.26437	0.2
98.19860	0.4
99.92577	0.5
109.04807	0.2
125.09729	0.2
139.76715	0.2
149.09764	0.2
153.12854	1.8
155.14432	4.6
165.12819	0.3
167.14409	0.8
169.12314	0.3
183.13893	6.5
184.14296	0.3
184.16719	0.2
185.06004	0.4
185.15384	0.4
193.12364	0.7
197.11819	0.9
199.13411	4.2
201.14890	0.2
211.13405	4.9
227.12901	3.1
229.14427	100.0
230.14772	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
59.01374	4.4
70.05103	0.8
70.05502	1.1
71.01374	0.5
81.03460	0.4
83.01418	0.4
83.05009	0.8
85.40878	0.3
98.19824	0.4
102.25539	0.4
113.02397	0.3
129.50148	0.3
145.66499	0.3
149.13364	1.1
166.62640	0.4
167.14386	0.7
169.12338	10.9
175.11235	0.5
181.12338	5.5
182.12654	0.4
183.13860	1.0
185.11841	0.4
187.59389	0.3
193.12323	6.8
195.56248	0.4
199.13422	2.7
209.11821	0.4
211.13437	13.9
212.13855	0.6
227.12895	1.1
229.14439	100.0
230.14786	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
54.73170	0.5
57.03438	1.8
58.03743	0.5
59.01363	0.8
65.61112	0.6
66.42278	0.4
70.99680	0.6
71.00017	0.8
71.01402	0.6
71.05016	0.6
77.36085	0.5
83.01396	0.4
83.05016	0.8
85.02951	0.9
97.06561	0.5
98.20512	0.5
99.92573	0.7
102.11467	0.5
116.92843	0.6
125.09738	2.9
125.85547	0.5
126.82553	0.4
127.11273	2.9
155.14397	1.8
167.14397	1.1
171.10294	4.5
183.13863	1.9
185.06055	0.7
185.11824	5.8
201.15195	0.5
209.11766	2.7
211.13403	20.3
212.13765	0.9
229.14432	100.0
230.14745	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03436	1.0
83.05003	1.0
84.02166	0.4
85.02962	0.6
86.18024	0.3
91.21240	0.3
98.20642	1.0
104.71780	0.4
111.47566	0.3
111.87187	0.3
125.09731	2.4
127.11299	3.1
153.70053	0.3
155.14389	0.8
165.12840	0.6
167.14412	2.0
171.10286	3.6
171.20374	0.3
183.13869	1.4
193.12363	0.6
195.09406	0.3
209.11815	2.7
211.13373	10.8
229.14430	100.0
230.14803	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	229.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
59.01355	0.6
61.64237	0.3
67.91626	0.3
69.62251	1.4
71.05012	0.9
80.86769	0.3
82.68080	0.3
83.01388	0.4
83.05014	0.4
84.02161	0.4
85.02937	0.9
91.30607	0.2
97.06574	0.3
123.08168	0.4
125.06092	0.4
125.09727	3.8
127.11289	4.8
155.14409	2.2
155.55087	0.3
165.12836	0.7
167.14415	1.7
171.10303	0.4
183.13916	0.7
209.11848	2.2
211.13397	3.6
212.13695	0.4
229.14430	100.0
230.14796	3.9
238.64400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.75217	0.3
52.80170	0.2
54.91112	0.2
57.03461	0.5
67.78415	0.2
69.18389	2.5
89.21478	0.2
98.19928	0.5
101.40700	0.3
111.08138	0.9
125.20946	0.3
140.99403	0.3
165.12843	21.2
166.13164	0.4
173.95473	0.3
183.13896	100.0
184.14278	3.5
190.54013	0.3
191.10794	0.4
199.13370	0.4
209.11844	3.5
227.03529	0.3
227.12888	24.4
227.20169	0.5
228.13152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
59.01361	0.5
61.98832	0.7
69.48344	3.8
83.05009	1.7
91.45168	0.5
97.06580	1.0
102.16280	0.6
107.23532	0.6
109.06651	0.6
111.08162	4.4
139.11253	2.2
141.14380	0.6
163.11273	1.9
165.12845	23.7
166.13203	0.8
180.83171	0.9
181.12317	1.2
183.13901	24.7
184.14238	0.7
185.13422	0.8
193.61168	0.5
199.13377	1.6
209.11809	32.4
210.12151	1.4
227.03075	1.1
227.12869	100.0
227.20171	2.4
228.13174	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	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
66.15112	0.3
69.23304	0.8
69.23711	2.6
71.05016	0.4
73.22470	0.3
79.61204	0.3
80.02682	2.4
81.03454	1.5
83.01404	0.5
83.05029	6.6
84.02165	2.9
92.60550	0.3
95.05022	1.1
98.19859	0.6
98.89318	0.3
102.40053	0.5
109.06532	0.4
116.07999	0.3
125.06097	0.6
125.09695	0.4
128.33556	0.3
135.08191	0.7
147.11740	0.5
163.11285	5.0
165.12860	3.5
181.12337	1.1
183.13847	0.6
191.10776	1.5
199.13409	1.2
209.11819	100.0
210.12172	4.4
227.12881	6.1
228.13173	0.4
239.17986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
54.04374	0.3
66.85916	0.4
69.16788	3.3
71.05025	0.7
80.02678	2.5
81.03458	1.3
83.05025	7.1
84.02177	3.9
88.40067	0.4
95.05027	1.2
97.06583	0.4
98.39532	0.4
98.56688	0.4
101.54214	0.4
124.82281	0.3
125.06075	0.7
135.08159	1.0
163.11285	5.5
165.12877	3.9
181.12340	0.8
183.13878	0.7
191.10774	1.6
199.13367	0.6
209.11826	100.0
210.12178	3.9
227.12888	5.0
231.94962	0.4
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
58.99096	0.6
69.16953	5.3
99.92588	0.9
111.08166	1.4
133.18965	0.6
141.82474	0.8
165.12836	21.1
166.13199	0.8
179.69937	0.6
183.13893	100.0
184.14339	3.2
199.13313	1.2
201.45299	0.6
209.11839	9.1
227.12880	32.4
227.20175	1.8
228.13148	1.4
240.27599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63203	1.0
58.00589	5.4
59.01378	1.7
69.28780	8.8
73.02921	1.1
83.05027	1.7
84.02155	1.5
85.55471	0.9
94.43973	1.0
95.05019	1.0
98.20622	1.4
99.92620	1.1
119.23473	0.9
139.11299	2.2
153.12851	2.0
155.14447	2.1
163.11275	2.2
165.12759	5.0
169.12285	1.6
171.13853	1.8
180.83171	1.1
181.12346	3.6
183.13925	5.0
191.10765	1.5
199.13393	47.1
200.13766	1.5
209.11818	36.8
227.12880	100.0
227.20172	3.7
228.13231	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	227.0926
Annotation	(+)-cyclopentanecarboxylic acid
Peak:m/z	Relative Intensity
57.03436	0.7
69.03458	6.4
69.21133	0.5
69.44827	3.0
83.05032	0.9
85.06604	2.1
97.06608	1.4
99.31542	0.5
111.08178	2.1
122.03673	0.5
123.08150	1.4
129.09215	0.8
134.80305	0.4
137.09734	4.9
139.11295	100.0
140.11632	2.2
165.09245	1.0
165.12798	0.5
167.35745	0.5
183.10266	22.1
183.13771	0.9
184.10579	0.6
188.00714	0.6
199.13370	1.5
209.08109	0.5
209.11813	2.7
227.09294	3.6
227.12831	4.7
227.20267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0561
Annotation	Carlosic acid
Peak:m/z	Relative Intensity
55.01874	1.8
57.03440	1.4
59.01380	1.6
61.98811	1.0
65.03961	1.1
67.01891	10.8
67.02235	1.1
68.01411	0.7
68.99779	0.6
69.03448	2.2
69.65472	3.8
71.01380	2.5
79.05540	1.3
80.02692	1.3
81.03468	1.9
82.02988	0.9
83.01371	3.4
83.05019	1.5
84.02167	1.4
85.02953	5.2
87.00890	0.7
91.05524	1.6
93.03452	5.6
93.07122	0.9
95.01391	65.2
95.05024	4.4
96.00892	1.1
96.01700	0.7
97.02969	5.5
97.04066	1.5
97.06587	7.4
98.00697	0.9
98.02478	0.7
98.03738	3.0
98.20624	1.3
105.03427	0.6
106.04245	3.2
107.05054	3.8
108.02226	0.8
109.01721	6.5
109.02950	10.5
109.06593	17.9
111.00904	2.4
111.04543	3.3
111.08167	6.3
112.07716	3.4
112.08374	0.7
112.98849	1.0
113.02451	100.0
113.03570	13.4
114.02799	1.3
114.09206	1.1
119.05025	1.4
121.02990	0.8
121.06596	18.5
122.03727	0.9
123.04523	9.0
124.01654	0.7
124.05344	4.1
125.06084	0.7
126.04329	3.6
129.01958	5.3
135.04552	2.7
135.08142	0.8
137.06084	1.7
138.09236	1.8
139.00397	1.2
139.03955	0.8
139.07655	24.4
139.08740	1.2
140.07172	10.6
140.08202	1.0
149.06117	6.5
153.05592	2.8
153.09189	1.3
156.10361	3.3
161.98553	0.6
163.07704	0.8
165.05573	4.9
166.08727	2.8
167.07133	22.1
168.07507	0.7
179.03500	1.4
183.06621	8.2
183.11377	8.4
183.13927	2.6
209.04622	2.0
209.08182	2.0
209.11870	4.2
210.07707	6.5
221.36662	0.6
227.05624	6.4
227.10320	6.5
227.12761	1.2
227.13806	1.0
227.16310	0.8
227.20126	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	226.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	17.5
57.03450	7.4
61.98819	5.0
70.02977	8.7
71.05029	1.6
71.52155	0.7
81.02219	3.0
81.03465	1.8
82.03005	1.9
82.23701	0.8
83.01411	3.1
83.05026	1.1
89.27113	0.8
94.06642	1.2
96.08212	3.4
97.06587	1.1
101.02459	0.7
109.05368	2.6
113.02505	0.8
123.08171	2.0
125.09707	13.6
138.12898	1.8
143.86511	0.8
148.65135	0.7
150.09229	5.0
152.10812	100.0
153.11148	4.5
154.12418	3.9
164.10789	1.8
180.10307	2.9
180.83113	3.0
182.11850	96.3
183.12195	4.2
183.13892	2.0
196.09785	1.5
208.10321	0.9
209.11877	4.4
225.92554	1.6
226.10840	46.5
227.10976	1.4
227.12907	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	226.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27747	0.3
59.01378	0.5
66.03481	0.5
71.51664	0.4
73.08463	0.3
84.04551	1.5
94.02978	0.5
97.01682	0.8
110.02479	0.9
110.71233	0.3
112.04047	26.3
113.04417	0.6
120.68399	0.3
121.05344	0.4
122.06140	0.5
124.58031	0.3
130.56398	0.3
131.72243	0.3
135.06911	20.1
136.07628	1.1
137.09700	1.1
139.11250	1.6
142.22614	0.3
146.44345	0.3
149.08453	0.8
149.97957	0.3
164.10802	100.0
165.11165	4.3
166.08731	0.4
178.08760	0.5
182.11835	4.3
208.09760	0.9
209.11713	0.4
226.10866	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	226.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34354	0.4
59.01385	0.7
61.91328	0.4
66.03509	0.4
69.45554	2.5
75.08057	0.4
84.04537	1.3
84.47638	0.4
89.86688	0.4
93.82928	0.3
94.02995	0.5
95.03785	0.4
96.04588	0.4
97.01681	0.9
112.04047	27.2
113.04372	0.6
135.06902	20.8
136.07655	0.7
137.09708	1.1
139.11298	1.5
147.08250	0.5
149.08467	0.7
164.10794	100.0
165.11147	4.1
166.08752	0.9
181.30089	0.5
182.11729	3.9
208.10054	0.4
209.11838	2.5
226.11174	2.1
227.12943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0721
Annotation	L-Arogenate
Peak:m/z	Relative Intensity
55.01001	1.2
56.03549	1.3
61.98827	26.3
66.03481	3.9
67.01886	3.3
69.03452	1.8
70.85110	3.1
71.01375	1.4
76.52998	1.2
78.81599	1.2
82.02991	2.1
84.04555	19.5
85.02945	1.7
93.03485	1.3
94.02975	5.2
95.01385	17.9
95.05045	1.9
96.04547	4.9
97.01695	4.3
97.02937	6.4
99.00900	1.7
106.08702	1.4
108.04556	19.2
109.06612	7.3
110.02470	10.7
111.04502	2.0
111.08174	2.2
111.18267	1.3
112.04051	33.0
112.98829	2.4
113.02448	28.3
120.04537	6.6
121.05332	5.2
121.06599	28.5
122.06107	2.1
122.06892	1.7
123.04530	6.3
124.04022	1.3
134.06119	78.0
135.04526	4.6
135.06398	1.5
136.04066	2.9
136.07680	100.0
137.04810	10.6
137.06076	4.1
137.08049	2.7
138.05565	1.9
138.09253	1.5
139.04114	1.2
139.07625	4.9
146.06119	10.3
149.04811	3.5
151.29916	1.3
152.07152	19.6
153.92255	1.2
164.07159	90.7
165.05568	3.7
165.07533	2.3
166.05098	5.5
178.05087	56.8
179.05562	1.5
182.08206	7.0
182.09958	2.9
183.13881	2.0
196.41885	1.2
208.06125	2.3
209.04558	6.3
209.11812	1.8
225.92703	8.5
226.07188	6.4
226.09000	2.8
227.05624	3.3
227.20271	1.6
228.92012	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1496
Annotation	Annuionone G
Peak:m/z	Relative Intensity
50.40493	0.2
54.79091	0.2
57.03434	0.6
58.22963	0.1
69.03439	0.2
69.53568	1.0
83.05030	5.3
97.06586	3.7
99.77477	0.2
123.08150	0.4
137.09685	0.5
137.79668	0.2
163.11292	7.5
164.11578	0.2
165.12849	3.0
172.36613	0.2
179.14413	9.4
180.14764	0.5
181.15926	0.7
225.14949	100.0
226.15288	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	225.1132
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
57.03426	0.5
59.01363	2.1
61.98816	0.7
63.29925	0.4
66.17456	0.4
72.40749	0.5
73.02945	18.5
75.34501	0.5
93.03490	0.8
95.05054	0.5
97.02974	0.6
98.19878	1.3
104.24643	0.5
106.54459	0.5
107.49072	0.5
109.06584	2.0
111.25496	0.5
113.06103	0.6
131.75607	0.6
161.09703	0.5
163.11267	8.2
164.62254	0.5
165.40126	0.5
166.10605	0.5
178.83316	1.1
181.12335	100.0
182.12627	4.6
197.38800	0.5
206.85745	0.5
207.10257	3.8
225.00356	0.7
225.11325	11.0
225.14960	1.5
226.11530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1495
Annotation	MKN-003C
Peak:m/z	Relative Intensity
56.16035	0.2
57.03433	0.9
59.01368	0.7
60.99299	0.7
64.02766	0.2
64.35244	0.2
66.11033	0.2
69.03445	0.7
69.36877	1.3
73.02942	0.4
83.05026	24.5
84.05352	0.4
85.02870	0.3
86.98626	0.2
93.03425	0.3
97.06589	22.9
98.06927	0.6
109.06641	0.3
111.08159	0.4
113.02451	0.6
121.06576	0.5
123.08175	0.4
128.58517	0.2
137.09705	0.6
149.06105	0.3
151.11267	0.8
154.24934	0.2
163.11285	4.7
165.12895	0.4
167.14412	0.5
169.12253	0.2
177.12825	0.2
179.14415	22.1
180.14735	1.2
181.12398	0.5
181.15976	6.6
195.13853	0.4
199.17052	0.9
207.10216	0.7
207.13855	0.3
224.90552	0.3
225.14952	100.0
226.13095	0.3
226.15283	4.3
228.75484	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.134
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
58.18219	0.8
59.01390	5.6
61.98819	2.4
69.03442	5.8
71.05012	1.9
71.28988	1.7
85.06557	1.0
95.05054	0.9
108.05839	0.8
109.06586	1.0
125.09770	0.9
135.11800	0.8
135.94093	0.8
137.09619	0.8
141.09239	1.3
149.09747	2.2
161.04596	1.2
161.13351	1.9
167.10791	7.4
176.83800	0.8
177.12840	1.5
179.10768	2.6
179.14415	9.1
195.13896	23.4
205.12325	21.2
223.02747	0.9
223.13390	100.0
224.13713	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	225.1132
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
59.01375	2.0
70.81491	0.6
70.81831	0.6
71.05020	0.7
73.38903	0.3
81.03451	0.9
83.05027	0.3
84.02165	0.5
93.03454	0.7
97.02950	9.6
99.00866	3.2
99.12311	0.3
107.05004	0.4
109.06588	4.6
110.03750	4.0
121.06599	0.7
123.04516	0.6
125.09713	1.1
135.08185	1.8
136.05324	2.2
137.09744	0.7
142.02719	3.8
151.07599	0.6
153.12791	0.4
161.09700	1.0
163.11288	10.8
165.09279	0.4
178.83299	0.4
179.10780	1.1
181.12335	31.6
182.12659	1.5
185.10387	0.3
189.09161	0.7
190.25482	0.3
197.11824	1.4
207.10246	70.4
208.10571	2.8
224.90520	0.4
225.11307	100.0
226.11674	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	222.0634
Annotation	Erinacean
Peak:m/z	Relative Intensity
52.76767	0.4
59.01370	1.5
61.98830	8.2
71.01387	2.7
71.49580	0.7
72.99303	0.7
73.02937	0.9
83.01387	1.0
83.98892	0.4
85.02947	0.5
87.00851	0.6
89.02428	2.3
92.02540	0.6
99.00865	0.7
102.05599	2.2
103.92032	1.0
106.06615	1.0
107.03629	3.0
110.92616	0.5
111.00896	1.6
111.61981	0.4
112.98808	5.8
115.00359	0.4
117.27909	0.5
122.89439	4.3
123.80664	0.5
126.90343	1.4
128.03539	3.9
128.90005	0.6
129.01898	0.7
130.02307	0.5
131.03464	0.5
134.04726	100.0
135.01247	0.5
135.05168	3.6
137.90092	1.8
141.86821	7.6
144.86955	0.6
146.04616	4.3
146.86678	7.5
148.86378	6.5
149.04556	7.5
150.94785	0.9
151.04007	1.7
159.87909	1.4
160.84210	2.1
176.83693	21.4
180.94060	0.6
221.84270	0.6
221.96677	0.9
222.04083	1.8
222.06197	10.0
222.82990	1.7
222.95248	0.7
223.06587	0.4
225.42496	0.4
236.89883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45467	1.0
55.01865	1.6
57.03434	3.8
59.01381	5.8
61.98832	65.5
67.01869	1.7
68.99811	1.6
70.64438	1.1
71.01008	2.5
71.01382	30.3
71.49619	2.4
72.99307	3.8
73.02946	3.5
75.00865	4.1
78.53912	1.1
78.95903	2.4
83.01387	8.7
85.02942	4.8
87.00887	6.3
88.98824	1.4
89.02444	11.8
99.00875	7.7
100.64415	1.1
108.93765	1.8
111.00880	19.3
112.98811	69.4
115.00365	3.5
117.01913	1.9
126.90363	12.8
128.03543	8.3
129.01947	5.7
131.03497	2.5
134.04692	5.7
135.01279	2.0
135.05116	7.7
136.07692	1.4
141.85713	2.3
141.86810	43.3
144.86905	2.5
145.01440	7.5
146.86688	30.8
147.03003	1.2
148.85263	2.1
148.86375	29.7
149.04558	40.5
150.94817	2.2
159.77065	1.2
159.87862	6.2
160.84230	11.7
162.91119	1.4
165.04047	2.9
173.00830	1.7
176.83698	100.0
180.94179	4.0
190.85622	2.9
222.83057	8.8
222.95189	7.3
223.06464	1.8
224.05743	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	222.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
57.03444	0.5
58.28660	0.3
59.01368	1.2
60.01697	0.4
61.98830	5.1
67.31683	0.3
69.03481	0.3
70.87647	0.5
71.01378	2.3
72.99311	0.3
78.03481	0.5
78.95914	0.7
78.98587	0.3
83.01374	0.5
85.02973	0.7
87.00887	0.9
89.02456	1.1
92.02542	0.7
97.02954	0.5
102.05611	1.3
103.92039	0.8
106.06630	2.3
107.03639	3.0
108.04551	0.6
110.92549	0.4
111.00882	1.7
112.98817	3.5
122.89429	4.5
126.90379	0.6
128.02612	0.4
128.03540	6.3
129.01930	0.7
130.02312	0.5
134.04729	100.0
135.01204	0.5
135.05130	4.4
141.86815	6.2
146.04604	3.7
146.86705	3.0
147.02965	0.4
148.86409	2.5
149.04553	4.6
150.01964	0.8
150.05530	0.4
150.68185	0.3
150.94778	0.5
151.03989	3.5
159.87877	0.8
160.04036	0.6
160.84232	1.4
162.83887	0.6
163.03964	0.4
176.83698	14.2
176.85248	0.8
177.91212	1.0
178.05125	0.6
180.06665	0.8
190.85698	0.3
192.03008	0.4
204.02969	1.0
221.96660	0.7
221.99437	0.7
222.04094	3.7
222.06342	8.7
222.82883	1.6
222.95157	0.6
223.06549	0.3
226.32028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.9774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.3
61.98830	100.0
63.06500	0.2
69.86008	1.1
73.02975	0.3
79.22346	0.2
103.92012	0.2
159.97395	0.3
160.84268	0.9
161.04553	0.5
177.96706	0.5
178.98582	0.8
198.01492	0.2
219.17560	0.7
219.97752	4.6
219.99754	0.4
220.17882	0.7
220.99608	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	219.1026
Annotation	Precocene II
Peak:m/z	Relative Intensity
57.03429	1.0
59.01384	3.6
69.35397	4.0
69.35804	1.5
81.03434	0.9
83.05036	1.8
89.00321	0.7
91.05540	1.8
93.07098	0.6
95.42457	0.7
97.06621	0.9
112.53769	0.6
119.05025	4.5
133.10239	5.0
141.07094	4.6
144.05786	1.1
145.06580	9.5
151.94119	0.6
155.08685	1.4
157.06595	6.2
157.10202	2.7
158.07335	1.1
159.08154	27.7
160.08928	24.2
173.09700	8.2
175.11275	100.0
176.11618	4.0
212.21210	0.8
219.10255	29.6
220.10646	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	219.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.7
59.01382	7.2
61.98823	6.5
63.96229	0.8
69.03444	0.7
69.82481	2.7
81.03429	0.9
83.04996	1.9
90.37933	0.7
91.05511	1.5
92.95023	0.5
94.89422	0.6
97.06606	0.7
119.05042	5.4
125.72909	0.6
132.07988	0.7
133.10222	4.8
141.07095	3.4
143.05060	0.8
144.05859	0.9
145.06583	8.1
147.06717	0.6
157.06567	4.7
157.10220	1.6
158.07254	0.6
159.08156	25.3
160.08934	21.7
161.09329	1.0
162.03268	0.7
173.09692	10.2
174.09967	0.9
175.11270	100.0
176.11606	5.2
185.06131	0.6
201.09169	1.9
204.04269	1.2
219.02902	0.7
219.10258	38.4
219.17497	12.1
220.10561	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	218.1033
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
59.01376	2.2
69.53844	1.3
69.54272	1.8
71.01383	10.4
71.05018	17.2
72.00903	0.8
88.04040	100.0
89.04358	0.8
99.04524	4.9
116.07208	3.0
129.05589	1.0
146.02451	1.0
146.08229	48.2
147.08543	1.5
174.01987	0.8
218.10330	29.5
219.10730	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0775
Annotation	N-Hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
53.24347	0.2
59.01382	3.5
61.98829	10.2
71.01366	0.7
71.19309	0.4
71.19649	0.2
74.02486	0.5
80.91682	0.3
82.02981	0.5
83.01382	0.4
86.02461	1.1
88.04036	2.1
89.04375	0.8
92.05061	1.3
101.02412	0.3
113.18828	0.2
113.72907	0.3
116.04996	0.3
118.98085	0.5
119.97774	0.2
120.04571	0.7
120.99643	0.9
122.99245	0.3
125.02416	0.5
128.03557	0.3
128.05040	0.5
130.06616	2.3
131.03781	1.0
132.04559	1.2
134.06125	1.1
144.04561	1.6
144.86978	1.3
145.01366	0.4
145.05118	0.4
145.06171	1.2
146.04874	2.2
146.08224	0.6
147.08548	0.8
157.07706	100.0
158.06108	0.5
158.08070	2.9
160.84215	0.9
165.05489	0.3
175.04047	0.3
175.08763	3.2
201.06711	4.2
201.95862	0.8
204.04240	0.6
218.77788	0.2
218.99333	0.2
219.03191	0.5
219.07765	15.0
219.10374	1.2
219.17506	3.7
219.97107	0.5
220.06099	0.3
220.08110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1193
Annotation	Ser Leu
Peak:m/z	Relative Intensity
50.65225	0.6
59.01377	9.7
59.79506	0.5
63.65028	0.5
69.97871	2.2
69.98293	1.1
70.05814	0.6
71.01389	1.4
71.05025	0.8
73.04066	13.3
74.63940	0.5
78.52588	0.6
84.71090	0.5
85.01171	1.2
88.04033	5.9
98.19962	0.7
114.09228	0.8
118.03062	0.6
120.99656	11.4
126.09203	0.7
129.00169	5.3
130.08739	85.2
131.03812	1.0
131.09084	1.8
141.10347	1.7
143.11900	22.5
145.03055	0.6
146.02495	1.2
146.08234	3.3
155.11934	1.2
174.01947	1.5
174.99234	2.9
187.10872	100.0
188.11195	3.3
199.10892	2.1
202.21747	0.6
217.00314	3.3
217.11937	53.4
218.10327	1.8
218.12247	1.7
239.08231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.9707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
61.98828	23.6
62.93262	0.3
69.56998	0.3
70.96629	0.4
71.01370	2.1
72.99318	1.6
73.02943	45.6
74.03287	0.4
78.24909	0.3
87.00851	0.4
88.04039	0.6
89.02428	0.6
99.00880	6.2
101.02448	0.3
103.98418	1.8
112.71127	0.2
115.00376	5.8
117.01939	100.0
117.99957	0.5
118.02283	1.3
119.96173	0.6
119.97891	6.7
127.05125	0.8
128.03572	0.5
130.25449	0.3
133.01427	12.3
133.02441	0.7
133.05055	1.8
133.05940	0.3
135.95689	0.3
144.86911	1.6
145.06200	3.8
146.08139	0.3
163.83318	0.3
163.95102	0.6
175.96860	18.4
176.96960	0.7
179.92953	0.3
186.76802	0.3
189.96707	3.7
191.98151	1.8
217.96141	6.4
217.97969	1.5
218.03105	0.5
225.88518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	18.8
59.01379	100.0
60.01709	0.5
60.71455	0.4
63.89370	0.4
69.17424	1.5
69.17852	2.4
80.82563	0.4
81.28227	0.4
91.05533	1.5
93.07095	0.4
97.06623	0.6
101.70901	0.4
108.68304	0.4
113.09728	7.5
115.74393	0.4
119.05061	0.6
128.93155	0.4
133.06622	1.3
133.10251	1.1
144.05762	0.6
147.08060	0.4
157.06584	0.9
157.08678	4.8
159.08194	1.6
160.08945	0.8
161.06036	0.5
173.09726	3.7
174.10493	0.4
175.09877	0.7
175.11273	13.2
175.12793	0.8
176.11624	0.5
187.07681	0.5
199.11302	1.9
201.09180	7.5
202.10007	4.1
215.10777	1.3
217.01488	0.6
217.04317	0.9
217.12331	53.2
218.12656	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	215.0924
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
54.52397	0.8
57.03457	0.9
59.01379	100.0
68.25983	0.8
69.57796	3.1
69.58207	1.9
71.01387	3.3
79.91611	0.7
93.81947	0.8
98.20669	0.9
101.60146	0.8
111.08160	9.9
114.68621	0.7
125.09702	1.3
135.04543	1.0
144.00906	3.3
153.09212	8.8
155.07164	6.3
171.10278	35.1
172.10712	0.8
173.07187	0.8
194.85275	0.9
197.08185	3.2
215.01004	24.0
215.03246	0.9
215.09239	35.7
215.12697	1.8
216.01143	1.0
216.09612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1287
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
57.03453	1.2
59.01411	0.3
61.98841	0.8
69.66080	1.4
69.66490	0.7
71.05042	0.4
87.00881	0.8
87.83173	0.3
89.18111	0.4
103.47268	0.3
122.89426	3.1
125.09722	1.4
144.00903	1.5
151.11305	1.0
153.12851	45.4
154.13184	1.7
168.88704	0.7
171.13947	0.7
177.94676	0.4
184.28525	0.4
186.89725	1.8
197.11819	60.0
198.12190	2.4
215.00977	10.1
215.07214	1.6
215.12863	100.0
216.01270	0.6
216.13217	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	217.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01728	1.1
71.27258	0.8
90.97128	1.7
101.77599	0.3
104.47403	0.3
115.91151	0.4
118.96704	0.6
121.67602	0.4
132.98177	2.6
139.68729	0.3
174.99245	27.4
217.00291	33.3
218.00580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90761	0.4
56.82833	0.3
57.03450	11.6
59.01378	100.0
60.01722	0.4
71.05026	0.4
74.78345	0.3
75.73488	0.3
82.88953	0.3
83.05012	0.4
91.05537	0.9
93.07092	0.3
94.82298	0.3
97.06609	1.0
111.08114	0.3
113.09724	7.0
113.10474	0.6
114.10030	0.3
133.06601	1.1
135.08096	0.5
139.07677	0.6
144.05800	0.5
157.06645	0.6
157.08722	4.8
157.10097	0.4
159.08150	1.3
160.08870	0.4
173.09671	2.2
175.09824	0.7
175.11266	7.0
189.12909	0.4
199.11298	1.1
201.09219	3.5
202.02660	0.3
202.09961	2.2
215.10735	1.1
217.12331	31.1
218.12590	1.8
232.92192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0922
Annotation	Decarestrictine D
Peak:m/z	Relative Intensity
55.01867	3.5
59.01373	12.3
61.81744	1.5
69.03441	1.6
70.29321	3.4
70.29675	3.0
71.01366	1.8
71.05006	8.5
73.02938	15.2
83.05025	4.4
92.00246	1.4
95.05040	5.6
96.94757	1.5
97.02946	4.9
97.06584	26.7
99.00877	100.0
99.08144	3.1
99.72798	1.8
100.01166	1.6
110.03719	2.3
111.10735	1.5
117.07102	8.8
123.04525	7.0
125.09697	3.2
127.03942	1.3
127.11296	8.5
133.06642	1.7
135.08154	20.7
142.02719	3.9
144.00928	4.3
153.09210	87.7
154.09521	2.0
171.10275	22.6
179.05666	2.8
179.07118	14.1
197.08180	76.5
198.08517	1.9
215.01001	36.7
215.03075	3.3
215.09227	84.5
215.12767	4.9
216.01414	2.2
216.09448	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01384	0.5
59.89119	0.2
61.98838	0.4
69.74410	1.2
84.14475	0.3
183.13893	23.1
184.14290	1.2
195.13890	19.4
196.14236	1.1
211.13390	0.8
213.14946	100.0
214.15324	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	215.0924
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
50.59945	1.2
51.60648	1.3
56.33144	1.2
56.95524	1.3
57.03439	1.8
59.01387	15.0
69.96360	5.6
71.01387	4.2
71.05019	2.7
72.99282	2.5
73.02943	13.1
78.43427	1.4
79.31651	1.2
80.05186	1.6
83.05038	2.9
85.97504	1.4
97.06573	9.3
97.64007	1.5
99.00872	17.2
111.08148	3.5
116.05110	2.5
123.04568	1.6
125.09749	6.7
127.11329	3.3
130.08818	1.8
135.04614	1.6
135.08186	5.3
137.72585	1.3
141.05580	5.4
141.09225	3.2
144.00887	8.9
146.06160	2.1
153.09219	39.6
155.07155	15.4
168.64117	1.6
169.08862	1.9
171.10263	57.7
172.10750	1.9
173.07220	5.5
179.07173	2.7
195.92079	1.5
197.08217	18.9
197.13142	1.5
215.00989	80.0
215.09265	100.0
215.12877	7.5
216.01326	3.3
216.09604	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	213.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42772	0.3
57.03416	0.3
59.01371	1.3
61.98830	0.5
63.95822	0.3
69.03468	0.8
69.50793	1.5
83.05022	0.3
95.05066	0.4
97.06598	0.6
117.48768	0.3
118.92439	1.2
124.37739	0.3
125.09710	0.3
136.22368	0.3
136.46368	0.3
151.11279	12.8
152.11632	0.5
161.54514	0.3
168.98952	1.2
169.12332	100.0
170.12645	3.3
183.13780	0.3
194.99434	0.4
195.10284	1.3
213.11314	22.2
213.14894	2.2
213.18587	0.7
214.11581	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
59.01382	3.2
60.07869	0.5
68.99811	2.1
70.46738	1.7
71.01388	1.0
97.02954	0.6
98.20630	0.5
101.06068	0.6
103.30833	0.4
108.02114	0.5
113.89134	0.4
137.09642	0.6
139.11279	0.9
141.12874	1.8
151.11295	1.3
153.12868	0.5
167.10802	2.6
169.12355	4.7
176.25067	0.4
183.13908	0.8
185.11821	76.9
186.12106	2.4
195.10266	13.8
195.13840	1.2
197.99263	0.5
199.29359	0.5
213.11319	100.0
213.14882	5.1
213.18561	1.7
214.11665	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	213.1132
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
57.03432	0.6
59.01382	3.2
60.07869	0.5
68.99811	2.1
70.46738	1.7
71.01388	1.0
97.02954	0.6
98.20630	0.5
101.06068	0.6
103.30833	0.4
108.02114	0.5
113.89134	0.4
137.09642	0.6
139.11279	0.9
141.12874	1.8
151.11295	1.3
153.12868	0.5
167.10802	2.6
169.12355	4.7
176.25067	0.4
183.13908	0.8
185.11821	76.9
186.12106	2.4
195.10266	13.8
195.13840	1.2
197.99263	0.5
199.29359	0.5
213.11319	100.0
213.14882	5.1
213.18561	1.7
214.11665	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	213.1133
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
55.01868	1.0
59.01375	0.8
61.98848	0.4
69.03452	0.4
69.41859	2.0
71.04992	0.7
80.02683	0.3
81.03452	0.3
83.05029	1.4
85.02956	0.3
85.06606	0.3
95.05028	1.1
97.02980	0.4
97.06580	2.6
98.03735	2.3
98.19854	0.4
107.05022	0.9
111.04479	0.3
111.08168	0.4
113.02465	0.6
123.08115	0.4
125.02451	0.5
125.09730	0.7
139.11305	3.9
149.09708	0.7
151.11281	100.0
152.11613	3.0
154.10040	0.3
165.09190	1.0
167.10756	0.5
169.12340	4.6
177.09160	0.5
183.10254	1.1
183.13924	0.6
195.10295	1.5
197.99130	0.4
213.03355	0.5
213.11282	3.2
213.14928	2.1
213.18607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
57.03447	0.4
59.01384	0.8
65.00315	0.3
69.03461	0.4
69.52779	1.5
90.95690	0.3
97.06572	0.5
105.04406	0.3
118.92357	0.4
145.35059	0.3
151.11282	14.3
152.11633	0.5
168.98897	1.8
169.12338	100.0
170.12720	3.3
177.09251	0.4
195.10271	0.8
195.14095	0.3
213.11314	17.4
213.14886	1.3
213.18436	0.4
214.11620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08670	0.3
59.01371	2.1
61.98827	2.5
69.03439	0.5
69.31662	1.6
69.32092	1.5
73.73125	0.4
82.58047	0.3
83.05044	0.6
117.93327	0.4
151.06145	0.5
155.10776	0.4
164.98294	0.4
167.10776	0.7
167.14398	1.2
183.13892	12.1
187.47688	0.4
193.12311	3.2
211.13379	100.0
212.13756	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	211.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
61.41538	0.4
61.98825	0.8
69.03444	0.8
69.35710	0.4
69.66315	2.3
76.43514	0.4
78.28254	0.4
83.05021	0.4
84.83513	0.4
85.72028	0.4
125.73862	0.4
129.93736	0.4
155.10690	0.7
165.12849	0.9
167.10817	0.5
167.14404	1.6
183.13887	11.9
193.12346	2.9
211.13385	100.0
212.13763	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	211.134
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.8
69.40861	1.5
69.41271	1.5
83.04977	0.5
96.03955	0.4
98.20650	0.8
108.07549	0.4
126.62347	0.6
142.15247	0.5
145.87143	0.5
145.92561	0.5
167.10788	0.8
167.14383	1.3
174.88548	0.5
183.13893	13.1
184.14349	0.4
193.12282	3.3
203.19852	0.5
211.13385	100.0
212.13705	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	210.0772
Annotation	3-Hydroxy-5-methyl-L-tyrosine
Peak:m/z	Relative Intensity
59.01368	2.1
61.98827	2.1
66.03453	1.4
70.91950	3.0
76.03403	1.2
84.04574	2.3
92.05048	1.9
94.04245	4.0
95.03799	1.4
97.02944	12.9
103.04330	2.0
104.04419	1.7
104.05078	23.0
105.07100	2.2
107.04981	2.1
108.04562	9.8
108.51116	1.4
109.01689	2.0
110.02484	66.0
110.06123	4.9
111.03312	3.2
111.04495	1.7
111.49442	1.4
112.04079	9.5
120.04556	3.6
121.06618	6.5
122.06142	9.8
123.04544	6.5
123.08173	41.8
124.04031	3.8
126.46336	1.4
132.04585	1.8
133.05290	1.9
136.04063	5.5
136.07677	2.2
137.04861	2.7
137.06111	4.0
138.09262	5.3
139.07661	2.7
143.02281	3.9
148.04071	38.9
148.07700	100.0
149.06113	3.5
149.08026	4.5
150.05602	3.8
151.06401	27.3
159.66313	1.2
166.05096	65.4
166.08749	35.3
192.06657	12.2
210.03963	9.0
210.07613	2.3
211.06081	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	210.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93828	1.3
59.01409	1.3
69.72952	5.5
84.04555	2.6
94.02937	1.7
94.04230	3.8
95.24470	1.2
97.02954	2.1
97.39259	1.2
98.03274	1.2
107.05055	2.0
108.04550	11.7
109.01736	1.4
110.02483	63.6
110.06111	5.6
111.03272	3.2
111.04463	1.7
112.04051	9.4
121.06562	4.2
122.06087	6.0
123.04536	5.7
123.08162	39.3
124.04038	1.7
136.04036	3.7
137.04884	1.7
137.06041	4.9
138.09210	4.7
139.07613	4.1
143.02209	3.0
148.07681	100.0
149.07996	2.9
150.05576	4.5
151.06383	24.1
158.64288	1.5
166.05026	3.0
166.08723	35.1
192.06705	9.2
210.04752	1.6
210.07762	2.2
211.06056	8.3
211.13426	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62382	0.2
61.98830	100.0
70.92136	0.3
70.92446	0.2
72.49155	0.2
75.88162	0.2
110.21503	0.2
140.56981	0.2
163.95625	0.4
164.96388	0.5
209.94897	37.9
210.94991	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	210.0408
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
55.01889	0.6
59.01395	0.9
60.52379	0.3
61.98839	1.0
64.01940	0.6
69.03468	0.6
70.13546	1.1
77.03990	0.6
78.95941	0.3
84.04564	0.4
92.05065	0.8
93.03452	1.0
94.03022	0.9
94.04283	0.8
94.06650	0.3
97.02957	4.8
98.03252	0.7
103.04271	1.9
104.05064	37.7
105.05414	0.8
105.07127	0.4
106.35370	0.3
107.03809	0.4
107.05042	0.6
108.02214	0.3
108.04572	2.1
109.01807	0.4
109.02948	0.7
110.02477	12.0
110.06112	1.3
111.03298	0.6
111.04528	1.1
112.04062	2.2
120.04554	6.3
121.06599	2.4
122.06103	2.6
123.04530	1.2
123.08162	13.6
124.04054	1.7
124.07712	0.4
125.06100	0.4
135.03287	0.5
136.04047	1.4
136.07698	0.7
137.02452	0.5
137.06100	1.0
137.08031	0.4
138.09258	1.2
139.07642	1.5
143.02307	0.4
148.01611	1.2
148.04048	58.5
148.07677	21.4
149.04439	1.6
149.06070	1.0
149.07976	0.5
150.05565	1.0
151.03909	0.4
151.06375	5.2
153.05544	1.5
163.03989	1.4
166.05086	100.0
166.08725	7.3
167.05402	2.4
167.06964	0.7
181.05063	1.5
192.06633	2.0
209.94817	0.3
210.04056	16.2
210.07661	1.2
211.04337	0.7
211.06104	5.4
211.13385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03456	2.7
59.01380	100.0
60.01715	1.1
69.61843	1.9
69.62249	0.9
73.94360	0.4
81.03461	2.0
97.06597	2.5
109.06593	3.4
121.02955	7.2
124.04027	0.5
165.12845	4.1
209.04533	1.7
209.11829	20.9
210.12114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05642	0.2
58.92162	0.2
61.98829	100.0
70.81828	0.4
70.82176	0.3
111.74571	0.2
163.95547	0.2
164.96394	0.3
169.44629	0.2
209.94894	38.0
210.94960	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.6
59.25949	0.5
61.98829	100.0
69.03445	0.6
69.66464	0.6
69.85349	2.9
74.39111	0.6
78.95895	0.7
91.92130	1.4
94.02986	2.8
97.02908	0.9
107.35345	0.7
124.04044	7.5
142.37404	0.6
148.07565	0.7
153.92264	0.6
156.93896	0.9
166.91042	2.9
166.93910	0.9
167.51620	0.6
209.94893	36.3
210.94984	2.0
211.13382	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	209.1182
Annotation	Pulchellon
Peak:m/z	Relative Intensity
52.06697	0.4
55.01868	1.1
56.94775	0.3
57.03446	4.2
59.01377	3.6
60.31008	0.3
61.98828	26.7
62.10531	0.3
65.00304	0.5
67.01898	0.4
69.03447	1.7
71.01379	12.5
71.05009	1.5
73.02944	1.3
80.02685	1.8
81.03454	2.7
83.01384	9.8
83.01884	0.4
83.05027	4.4
84.01714	0.4
84.02165	1.8
85.02961	1.0
91.01899	0.5
91.19101	0.3
92.99792	1.2
93.03465	3.4
94.02932	0.5
95.01363	0.4
95.05013	2.7
97.02976	0.6
97.06574	4.6
99.04489	0.5
106.04223	0.9
107.05042	0.6
108.02197	0.8
109.02945	0.5
109.06599	1.1
111.08170	1.9
113.27835	0.3
119.61212	0.3
120.02145	0.6
121.02955	41.1
122.03319	1.0
123.08168	1.9
124.04045	1.8
125.02428	0.6
125.06093	0.5
125.09725	13.1
126.10011	0.4
134.03751	1.2
135.08139	1.7
136.01639	0.5
136.98756	0.4
137.02405	0.6
137.06090	0.7
137.09706	1.4
144.00595	0.4
145.10219	1.7
147.11804	2.0
148.12152	0.3
149.09689	0.9
151.11276	18.5
153.09224	0.5
153.12833	3.2
161.09724	0.9
163.11290	9.9
164.98256	0.5
165.01913	1.1
165.05557	0.4
165.09183	0.9
165.12836	13.4
167.10745	1.2
173.09750	2.0
177.09276	0.5
179.10750	4.4
181.12331	36.0
182.12654	1.2
190.99899	0.6
191.10765	15.5
191.23828	0.4
192.11118	0.4
208.82584	0.7
209.01013	2.0
209.04521	6.2
209.11812	100.0
209.94907	10.6
209.96912	0.6
210.04816	0.4
210.12134	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	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96269	0.4
57.03202	0.4
57.03450	5.6
57.78883	0.3
57.79261	0.4
58.00590	0.7
59.01376	3.5
61.98830	16.7
65.00318	0.4
69.03457	2.6
70.69238	0.6
71.01378	15.6
71.05017	1.6
73.02934	1.5
80.02675	2.1
81.03454	2.3
82.51666	0.4
83.01376	1.9
83.05032	3.9
84.02166	1.3
85.02948	0.7
89.17147	0.3
91.01907	0.7
92.99822	0.7
93.03445	2.3
94.03004	0.6
95.01386	0.4
95.05027	2.9
96.96011	0.4
97.02952	1.0
97.06593	5.0
99.04517	0.5
105.49825	0.4
107.05031	0.6
108.02159	0.9
109.06567	1.5
111.08154	3.4
112.01669	0.6
120.02112	0.8
121.02955	40.3
122.03252	0.8
123.04504	0.4
123.08153	1.2
124.04031	1.5
125.02452	1.4
125.09731	6.3
127.07655	0.4
134.03712	1.3
135.08148	1.2
136.01628	0.6
136.98769	0.4
137.02460	0.7
137.09695	1.3
144.00589	1.0
145.10201	1.8
147.08191	0.5
147.11844	2.7
149.09706	1.3
151.07735	0.5
151.11273	24.7
152.11633	0.8
153.09235	0.8
153.12862	3.4
161.09706	1.0
163.11285	8.5
164.11633	0.4
164.98341	0.7
165.01898	0.7
165.12842	25.4
166.13182	0.5
167.10774	2.2
173.09665	2.5
179.10765	8.8
181.12335	40.2
182.12587	1.9
185.45778	0.4
191.10774	16.7
192.11169	0.7
194.05818	0.5
208.82465	0.5
209.01086	1.7
209.04567	6.2
209.11813	100.0
209.94861	6.2
210.04906	0.4
210.12137	4.1
216.71629	0.4
225.11249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
57.03447	1.7
59.01391	1.0
61.98831	2.2
68.99839	0.3
69.03443	1.0
69.18884	1.2
69.19291	0.5
71.01388	0.7
71.05007	0.6
80.02673	0.8
81.03455	4.2
83.01387	25.5
83.05026	3.2
84.01723	0.3
84.02167	1.1
92.99840	0.3
93.03465	0.8
94.02969	0.2
95.05025	1.5
97.02966	0.3
97.06589	4.0
98.19866	0.4
100.89530	0.2
106.04219	0.3
108.02196	0.3
109.06590	0.5
110.03735	0.3
111.08188	0.6
120.02164	0.2
121.02958	10.9
123.08165	2.0
124.04060	0.5
125.02531	0.2
125.06071	0.5
125.09723	22.6
126.10040	0.6
134.03737	0.4
135.08177	2.1
136.01659	0.3
137.06110	0.2
137.09750	0.2
145.10193	0.3
147.11823	1.0
149.09802	0.2
151.11360	0.2
153.12839	0.3
161.09695	0.3
163.11293	9.7
164.11661	0.2
165.12852	3.9
167.10745	0.9
173.09695	0.5
174.23074	0.2
181.12341	1.9
191.10785	7.9
191.32690	0.2
192.11137	0.4
209.00949	0.5
209.04573	1.7
209.11824	100.0
209.94878	0.8
210.12180	3.8
218.36508	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9746
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38721	0.2
59.01388	0.3
61.98831	100.0
70.32809	0.4
70.33176	0.7
71.01392	1.1
72.99348	0.3
89.02470	0.3
108.93764	0.8
115.00380	1.6
117.01936	0.4
133.01425	2.4
133.05054	2.2
162.98480	1.4
164.92758	1.2
167.40027	0.2
200.57152	0.2
206.97429	10.1
207.97533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0819
Annotation	3,4-Dimethoxymethylbenzoate
Peak:m/z	Relative Intensity
52.98015	0.9
54.02411	0.7
59.01363	1.8
71.01377	3.0
71.51535	0.9
72.99306	1.1
73.02946	2.6
77.47495	0.9
86.18242	0.9
91.05534	89.8
92.05922	1.9
93.03448	2.1
102.84865	0.8
105.22616	0.8
117.01953	2.5
117.03462	3.7
119.05015	3.4
121.02953	22.4
135.04523	10.3
147.04515	16.1
149.06033	1.7
163.04001	15.0
163.07628	3.1
165.05560	16.0
165.09222	5.5
191.07146	4.3
209.04613	4.5
209.08185	100.0
209.11758	5.4
210.08481	2.3
212.67651	0.8
216.56123	0.9
221.79799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
51.19767	0.3
52.37362	0.3
59.01377	2.4
61.98830	13.6
65.51828	0.4
71.07059	0.7
80.97335	0.4
81.03439	0.5
83.05025	0.5
91.01900	0.4
92.99808	1.0
93.03463	0.8
94.02998	0.8
94.68468	0.3
95.05006	0.5
96.72314	0.3
106.51546	0.3
118.94202	0.6
120.02137	0.8
121.02956	32.7
122.03276	0.9
124.04019	1.1
136.98792	0.5
137.02515	0.5
137.06068	0.4
151.07567	0.4
154.08200	0.3
156.63362	0.4
164.94034	0.4
165.12866	0.7
179.03557	0.5
186.19101	0.3
191.10727	0.6
209.00949	0.7
209.04546	5.8
209.11815	100.0
209.15315	2.8
209.94887	6.1
210.04942	0.6
210.12167	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	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	33.6
70.02979	12.9
70.85612	1.7
72.00897	5.2
83.66833	0.7
87.11730	0.6
91.05531	14.2
97.15294	0.6
100.87804	0.6
103.05518	1.5
107.78262	0.7
112.98069	0.7
118.09600	0.6
135.04474	1.3
147.04521	39.1
148.04848	0.9
159.49744	0.8
162.09215	1.5
164.07159	100.0
165.07509	2.6
201.94641	0.9
206.08212	44.5
207.08586	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	206.9745
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13386	0.1
61.98828	100.0
70.97173	0.3
72.67986	0.2
92.99209	0.2
162.98474	1.4
164.92616	0.2
164.96306	0.4
206.97435	10.9
207.97585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1597
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
58.02909	0.1
59.01362	0.6
61.98821	0.5
62.92470	0.1
66.94862	0.2
71.01374	0.3
72.99271	0.2
87.00868	0.2
105.92051	0.2
115.00329	0.3
117.03458	0.3
127.00354	0.2
161.02422	0.3
161.06047	0.2
162.89294	0.3
177.01901	0.1
189.12854	1.5
205.01500	0.3
205.15959	100.0
206.16302	4.6
211.14606	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	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
50.36356	0.7
58.02975	31.9
64.81839	0.8
69.32687	1.2
69.33092	4.1
70.02975	10.8
72.00906	4.3
74.36200	0.7
91.05533	12.9
103.05544	2.6
133.98976	0.8
135.04524	1.5
147.04515	37.5
148.04858	0.9
162.09357	0.6
164.07161	100.0
165.07475	2.2
180.16153	0.6
206.08206	40.2
207.08583	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	205.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44915	0.3
56.28991	0.3
58.02956	0.4
59.01377	3.5
61.19575	0.3
61.98829	2.1
62.73421	0.3
68.99812	1.3
69.03446	1.0
69.85772	1.3
71.01385	2.6
72.99319	1.7
73.02930	0.5
75.00880	0.8
79.01902	0.4
79.99018	0.3
82.00597	0.6
83.01372	0.7
85.02968	0.3
87.00866	0.9
87.92508	0.4
89.92584	1.1
92.02667	2.5
93.03465	3.2
95.01387	25.7
97.02957	0.3
99.00887	1.1
106.00609	1.3
108.02174	21.9
109.02512	0.4
115.00372	2.8
115.92029	0.8
117.03490	0.5
119.04982	0.3
120.30106	0.3
121.91568	0.6
123.00896	3.7
124.60650	0.3
129.01910	0.3
133.02928	0.4
133.06622	0.5
136.01660	100.0
137.01978	2.1
142.99854	0.8
145.01514	0.5
148.05302	0.9
149.06099	0.3
149.09663	0.4
154.99846	0.5
159.08235	0.4
161.02426	0.9
161.03587	0.4
161.06073	0.7
161.09702	4.2
161.98378	0.3
162.89383	0.8
163.11241	0.4
168.88942	0.3
175.11252	1.9
177.09262	0.4
177.12843	0.9
190.02762	0.6
205.01395	1.1
205.03333	0.3
205.05064	1.0
205.08691	5.0
205.12331	6.2
205.15950	7.2
205.17720	0.6
206.12704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1232
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.76725	0.2
54.89333	0.2
57.03449	2.3
67.69617	0.3
69.03450	0.4
70.79827	0.6
73.50878	0.3
81.03453	0.6
83.05021	0.3
105.95876	0.2
107.05049	0.3
107.16927	0.2
119.05002	0.7
119.08617	0.3
121.06587	0.5
123.08160	1.5
125.38961	0.3
131.05003	0.6
133.06575	0.3
133.10246	0.5
145.06592	0.4
145.10155	0.3
147.08183	0.3
149.06056	0.5
149.09697	3.7
157.06531	0.3
159.08176	2.9
160.08897	1.0
161.09718	2.1
162.06885	1.4
163.11272	0.6
171.08141	0.4
173.09714	3.1
175.11272	26.2
176.08463	0.6
176.11629	1.4
177.09245	3.1
177.12845	10.9
178.13148	0.3
187.11282	4.2
189.09204	1.6
190.09863	0.6
203.10777	1.1
204.11485	0.7
205.12321	100.0
205.31949	0.3
206.12651	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	205.0505
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene
Peak:m/z	Relative Intensity
52.38015	0.5
54.67957	0.6
55.01883	0.8
59.01376	6.0
63.58894	0.6
69.51908	3.2
71.01379	3.0
72.99310	2.1
75.00877	1.4
87.00882	0.9
93.03459	19.5
94.03802	0.8
95.05024	0.5
99.00872	1.7
106.04215	0.9
107.05034	1.3
108.02151	0.8
111.00901	2.0
115.00388	2.8
117.03467	40.2
118.03673	0.6
118.04330	0.8
119.05028	100.0
120.05373	3.2
121.02955	16.4
121.06599	1.5
123.04538	5.4
130.04269	1.7
131.05029	9.8
132.02188	0.8
132.05817	18.6
133.02972	11.2
133.06598	62.5
134.03764	3.9
134.06911	1.6
135.04506	2.5
137.02478	0.5
143.05034	1.3
145.02953	93.6
146.03386	2.4
147.04518	14.3
149.06076	20.7
158.03777	1.0
159.04552	3.9
160.05305	1.1
161.02473	1.3
161.06081	84.4
162.03214	4.8
162.06450	3.1
163.04039	2.5
175.03972	1.3
177.05568	21.9
178.05884	0.5
187.03975	3.6
205.05058	27.0
205.12302	1.7
205.15959	5.3
206.05319	0.9
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
50.71518	0.6
51.99372	0.6
53.51892	0.6
55.01865	2.1
55.95462	0.7
57.03454	3.7
58.02961	1.6
59.01376	16.5
61.98537	1.2
61.98831	16.6
67.01894	5.8
68.99802	3.3
69.90341	2.5
71.01379	21.9
72.99303	22.2
73.02950	10.1
75.00861	7.7
82.45177	0.7
83.01378	6.7
84.99317	0.8
85.02945	5.7
87.00339	1.3
87.00873	21.6
88.98817	1.0
89.02434	1.5
89.10992	0.7
93.27473	0.6
94.06248	0.8
96.96014	1.1
96.99291	1.8
99.00880	12.8
99.04506	3.5
100.98798	0.8
101.02436	8.6
103.00367	1.8
105.01922	1.6
111.00878	100.0
112.01206	1.1
112.21782	0.8
112.98801	12.8
115.00367	21.8
115.03999	1.6
117.01942	6.5
118.03336	1.7
120.99628	1.7
124.98798	3.5
125.02448	3.2
127.00390	2.2
129.01947	4.4
131.04634	2.0
132.03056	1.3
142.99857	5.3
143.03468	4.6
145.01405	6.2
145.05098	0.8
145.06195	1.3
149.43369	0.7
154.99861	12.6
156.00322	0.8
157.01433	0.7
161.04408	1.4
169.01369	1.3
173.00902	10.4
175.02451	3.0
187.08000	1.0
196.00346	1.0
204.99384	0.8
205.03494	6.4
205.08989	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67163	0.5
54.25676	0.3
56.30894	0.4
58.92613	0.4
59.01380	2.3
59.19510	0.4
61.98832	6.7
65.01436	0.8
66.91891	0.4
71.01382	0.9
74.32907	0.4
74.48188	0.4
80.91682	100.0
87.00861	0.4
98.19885	1.2
99.00906	0.5
115.00381	0.8
146.93869	51.2
161.89406	0.5
166.83301	0.4
186.01495	0.4
188.41589	0.5
190.92703	0.4
203.95995	43.5
204.96251	0.6
205.12329	1.4
205.15956	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	203.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.9
60.01712	2.3
61.01802	0.6
61.98830	100.0
65.92400	0.1
69.24796	1.1
92.09033	0.1
97.97648	0.1
98.19862	0.2
160.03700	0.3
190.56496	0.1
201.13728	0.1
204.00031	1.0
204.02721	1.2
205.15993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.0
55.72231	2.9
57.03436	8.4
58.02967	4.4
59.01382	78.2
61.98830	28.6
67.01882	6.5
68.24866	2.7
68.99818	9.1
70.37847	5.0
70.38216	5.9
71.01379	83.2
72.99307	54.7
73.02956	23.3
73.99645	3.5
75.00869	35.0
83.01407	20.9
83.05021	4.3
84.99334	4.0
85.02947	11.4
87.00880	41.5
89.02448	19.6
93.92259	3.2
96.99281	3.6
99.00877	59.6
99.04543	4.2
101.02455	12.5
103.00394	3.9
111.00883	79.9
112.98812	100.0
115.00379	79.8
117.01945	15.8
124.98793	10.3
125.02435	14.3
127.00372	10.7
129.01952	14.2
130.08698	4.9
141.07368	3.0
142.99863	20.1
143.03455	3.8
144.95488	3.6
145.01451	27.6
154.99899	20.1
157.01411	5.0
173.00949	15.0
175.02451	7.4
187.02521	3.7
205.03473	15.6
205.07156	4.0
205.08994	4.2
205.12439	4.0
205.15921	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	203.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01711	1.0
69.73888	1.8
84.34462	0.3
88.06026	0.4
99.08157	7.2
125.06100	0.6
143.07149	5.0
161.08218	0.6
168.87085	0.4
179.47784	0.4
203.61285	0.4
217.79337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1288
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
54.18447	0.2
56.00930	0.2
57.03449	3.3
59.01379	11.8
69.03450	0.3
69.60011	1.2
71.01349	0.2
71.96701	0.3
73.02943	0.3
83.01353	0.3
85.02959	0.4
87.04521	0.8
93.76920	0.3
96.63206	0.2
97.06564	1.4
99.08155	5.7
103.92078	0.4
120.42494	0.2
125.93369	0.2
127.11292	2.4
131.04991	0.7
139.11270	1.0
143.07150	1.7
150.00169	0.3
155.10779	1.1
157.12338	1.8
167.10768	1.0
168.59563	0.3
182.45868	0.2
183.10345	0.3
185.11826	4.9
186.12297	0.3
201.11327	3.3
203.03487	0.8
203.12872	100.0
204.13194	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	201.1496
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
53.54747	0.2
59.01376	4.0
60.93507	0.2
61.98830	0.3
67.97743	0.2
69.16614	2.0
69.17020	0.4
70.42639	0.2
95.01346	0.3
98.20597	0.5
99.92592	0.5
113.02451	0.3
116.92902	0.4
125.09720	0.3
127.11287	0.4
139.11311	0.5
141.93671	0.3
155.14417	4.9
155.15561	0.2
164.83667	0.6
166.86641	0.2
173.02431	0.2
183.10309	0.2
183.13902	2.0
199.13402	0.6
201.02446	0.6
201.05591	0.8
201.14961	100.0
202.08527	0.3
202.15329	3.7
219.90047	0.3
220.96068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0825
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
58.91110	0.6
59.01377	3.6
72.00906	26.2
74.02472	31.0
91.05905	0.5
99.88831	0.5
100.34441	0.5
116.05061	100.0
117.05399	2.7
130.06631	3.0
142.06621	27.5
142.33064	0.5
143.06964	1.0
157.07687	1.2
159.09273	19.1
160.09721	0.6
161.04817	0.7
175.08687	0.6
186.05600	4.0
203.08257	81.3
203.12852	2.7
204.08507	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	203.0826
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
54.51464	0.7
59.01374	2.2
62.06784	0.7
65.39346	0.7
69.47954	4.6
72.00504	1.2
72.00907	24.4
74.02475	31.7
100.22386	0.8
103.92027	0.6
116.05063	100.0
117.05365	3.4
122.58805	0.8
122.91335	0.8
126.40382	0.8
130.06631	2.7
130.08966	0.8
139.85632	0.7
142.06624	26.2
143.07016	1.1
151.40012	0.8
152.65234	0.7
157.07724	0.9
159.09268	17.4
160.40691	0.9
161.04817	0.9
168.60693	0.8
186.05690	4.2
203.08257	67.0
204.08644	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	199.134
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
55.59721	0.3
57.03440	0.6
70.53122	1.0
70.53490	0.6
71.05019	1.3
73.72943	0.3
83.05032	0.4
83.91936	0.3
85.02973	0.4
92.99828	0.4
111.30531	0.4
113.02412	0.3
125.09713	1.9
127.11273	3.5
138.06044	0.3
153.12871	0.9
155.10774	1.8
155.14342	0.6
163.11388	0.4
164.83615	0.4
171.10263	0.5
181.12306	0.6
197.11812	1.6
199.13397	100.0
200.13762	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1339
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
54.49629	0.4
59.01376	0.8
69.51716	3.0
73.02940	0.4
83.01369	0.6
83.04993	0.4
90.58601	0.4
99.00858	0.6
101.22720	0.4
105.33676	0.4
111.00848	0.8
113.02440	0.9
124.43689	0.4
127.03976	0.6
145.39079	0.4
153.12894	0.5
154.26961	0.5
155.10789	2.2
155.17654	0.4
162.83923	0.7
163.11243	1.0
169.12331	5.9
181.12328	18.2
182.12645	0.5
197.11864	1.4
199.13387	100.0
199.80435	0.6
200.13751	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	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56859	0.3
58.70814	0.3
59.01379	100.0
60.01721	0.6
70.67847	0.8
92.37815	0.3
113.04588	0.3
117.40433	0.3
144.21429	0.3
157.03569	7.3
158.03650	0.3
159.01466	1.6
159.06400	0.3
172.09373	0.3
197.45447	0.3
201.02545	17.5
202.02679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1133
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
54.03850	0.5
57.03450	7.7
59.01376	2.5
61.11947	0.5
64.95277	0.4
69.03477	0.5
71.05030	0.6
72.59838	0.5
77.79862	0.4
83.05036	0.5
91.47502	0.4
99.92588	0.8
111.08154	4.6
137.09767	2.3
139.11290	98.7
140.11624	2.1
141.93668	0.8
157.12350	1.7
183.10255	49.0
184.10594	1.1
201.01985	1.3
201.11314	100.0
202.11688	2.5
207.97931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1244
Annotation	Ala Ile
Peak:m/z	Relative Intensity
55.01857	0.5
59.01379	3.0
61.98817	1.2
69.31194	4.9
70.02964	2.1
71.99962	0.6
72.39285	0.5
72.90953	0.5
73.31994	0.5
82.06611	1.1
84.08180	1.0
87.05636	13.2
113.06111	0.9
114.09241	0.8
130.08745	34.4
139.00327	0.6
140.10814	5.9
141.10381	0.8
145.02867	0.6
157.13463	46.7
158.13770	0.7
181.42062	0.5
201.12450	100.0
202.12811	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	199.0975
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
52.55386	0.5
62.08992	0.5
69.28487	0.9
69.28900	3.0
83.05012	0.7
92.73504	0.5
137.09718	6.6
155.10773	100.0
156.11075	2.8
157.84468	0.6
175.31729	0.5
181.08707	1.1
199.09746	9.6
199.13409	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	199.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27735	0.8
55.19492	0.8
57.03440	2.4
59.01384	1.9
61.98843	1.5
67.01889	2.7
69.03439	1.7
69.18994	2.1
69.19418	4.8
71.05020	5.8
72.99304	0.8
73.02953	2.2
83.01366	3.0
85.02932	1.4
92.99816	2.2
95.05025	1.2
97.02950	0.9
98.20686	1.2
99.00866	5.0
99.04492	1.0
99.08147	2.7
111.00872	3.1
111.04539	0.8
113.02439	4.9
123.04517	1.5
124.19459	0.7
125.02475	1.1
126.56236	0.7
127.00342	2.1
127.04002	2.4
136.98799	1.6
137.06056	0.8
137.09731	3.3
139.11295	4.7
141.05562	0.8
152.85793	0.6
153.12842	7.6
154.99893	1.8
155.10773	17.6
156.10315	0.9
158.29102	0.7
162.83873	3.9
163.11235	0.7
164.83592	3.8
169.12328	1.7
181.01416	1.2
181.08804	0.7
181.12314	1.7
197.11691	0.9
198.98894	1.0
199.06129	1.5
199.09700	5.2
199.13390	100.0
199.17041	5.4
199.80498	3.8
200.13744	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	197.1547
Annotation	cis-5-dodecenoic acid
Peak:m/z	Relative Intensity
51.20783	0.1
51.50401	0.1
55.01872	0.4
57.03447	4.7
59.01379	0.5
69.03461	1.4
70.56178	0.4
70.56534	0.1
71.05036	0.3
73.02966	0.2
81.26894	0.1
83.05025	3.3
84.30273	0.1
85.06586	5.1
95.01396	0.3
95.05048	0.3
96.40961	0.1
97.06593	1.2
99.08134	0.1
107.05041	0.3
109.02936	0.3
109.06583	0.7
111.04501	0.2
115.32289	0.1
121.02934	0.4
122.99460	0.1
123.00892	1.6
123.08162	8.1
125.02415	0.1
125.09734	0.9
126.90508	0.4
135.08148	1.3
137.09724	1.1
138.03253	0.2
139.11287	22.9
140.11646	0.5
141.12843	1.8
149.09715	0.3
151.10104	0.3
151.11287	3.8
152.11531	0.1
152.90865	0.1
153.05565	0.6
153.09215	0.3
153.12817	0.5
159.13937	0.2
161.09686	0.3
163.11310	1.3
165.09172	0.1
165.12859	0.2
166.99869	1.1
167.14423	1.6
169.12387	0.3
177.12859	0.5
178.99869	0.4
179.10777	0.4
179.14410	3.0
181.12344	3.6
182.02185	2.1
185.11852	0.4
195.13902	7.4
196.14171	0.2
197.04553	0.9
197.15459	100.0
198.15776	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	199.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41070	0.2
57.87181	0.3
69.28993	0.8
69.29416	0.9
69.98334	0.2
73.02949	2.6
94.97401	0.2
98.19938	0.4
99.00901	0.2
102.80299	0.2
135.08176	1.1
137.09718	8.5
155.10779	100.0
156.11121	3.1
181.08742	0.4
188.60204	0.2
199.09760	9.1
200.10127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
54.83101	0.4
57.07322	0.3
57.07679	0.3
59.01365	1.1
61.98817	1.8
69.03452	1.7
71.05019	0.5
73.02911	0.4
76.07490	0.4
81.03431	0.5
81.70139	0.4
83.05010	0.9
95.01375	0.5
95.04956	0.4
97.06503	0.4
98.19915	1.1
103.97681	0.5
109.02979	0.7
109.06646	0.5
112.01635	0.5
112.04124	0.4
116.92883	0.9
121.02969	1.0
123.00868	3.7
123.04515	0.5
125.02403	0.6
126.90510	2.7
137.09785	0.5
138.03198	0.9
141.09253	0.8
151.11276	0.6
151.14990	0.4
153.01935	0.5
153.05542	1.3
153.09175	1.4
153.12875	4.1
155.32986	0.4
160.84212	4.2
161.84200	0.5
162.83914	11.0
166.99908	2.8
169.12341	15.3
179.10779	1.2
182.02246	6.3
197.04692	2.5
197.11830	100.0
197.80789	6.5
198.12198	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	197.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62352	0.6
53.68392	0.5
55.79363	0.5
57.03445	0.5
59.01350	0.9
61.98816	2.5
69.03455	2.0
70.81792	1.5
71.01376	0.6
71.05016	1.8
81.03432	0.8
83.01385	0.6
83.05020	1.0
94.61077	0.5
95.01379	1.4
96.44968	0.5
109.02954	1.2
111.00981	0.6
112.01666	1.6
116.92848	2.4
121.02943	1.6
123.00874	5.9
123.04508	0.5
126.90511	2.9
133.88327	0.5
135.04477	0.7
138.03236	2.1
151.00409	0.6
153.01906	1.2
153.05571	2.1
153.09175	1.8
153.12869	4.8
160.84210	16.2
161.84218	1.4
162.83908	45.9
166.99867	4.6
169.12340	11.7
178.99821	1.0
179.10753	1.2
182.02194	9.2
196.81218	0.6
196.91057	0.5
197.04659	3.7
197.08206	2.9
197.11815	100.0
197.80785	27.2
198.12167	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03456	2.3
59.01374	1.3
61.98839	2.8
69.03452	1.9
69.86523	2.8
71.05021	100.0
71.39510	0.7
72.05325	1.2
73.02952	1.4
78.91834	0.8
83.05043	4.4
92.69407	0.7
95.01379	1.0
95.05050	1.0
97.06618	1.0
108.78378	0.7
109.02970	1.4
116.92872	1.3
121.02953	2.1
123.00885	6.5
123.04662	0.8
125.09700	2.5
126.90472	4.1
135.08160	1.0
135.56894	0.7
137.09746	2.5
138.03200	1.7
153.01953	1.7
153.05577	2.4
153.09219	1.7
153.12849	43.9
154.13103	0.8
160.84189	5.8
162.83920	14.5
166.99889	4.4
169.12347	3.3
179.10767	1.9
182.02214	12.2
197.00784	0.8
197.04523	4.7
197.11824	51.1
197.80780	8.2
198.12204	1.8
208.78746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01895	0.5
56.28368	0.4
61.98825	0.6
69.03458	0.5
69.40925	2.1
69.41344	0.8
70.33942	0.4
71.05006	1.3
75.18424	0.4
85.65631	0.4
97.06592	13.2
98.19912	0.9
99.08160	4.6
110.00675	0.4
111.08170	0.5
116.92879	1.5
122.03766	2.0
123.00864	0.5
125.02448	0.4
125.09690	0.5
126.03243	0.8
126.90527	0.5
137.09691	2.2
151.11272	1.3
153.12845	100.0
154.13179	3.8
160.84210	5.8
161.84280	0.9
162.83911	14.8
166.99826	0.8
179.10768	22.4
180.11133	0.9
182.02155	0.8
197.11819	9.6
197.80807	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.55340	0.2
57.03438	0.2
58.00578	0.2
59.01364	0.6
60.49664	0.2
61.98828	2.9
68.99553	0.3
69.03461	1.3
69.83329	1.0
71.01366	0.3
75.75240	0.2
81.03471	0.3
83.05042	0.9
85.06598	0.2
95.01382	0.6
95.05056	0.3
96.95982	0.3
97.02953	0.2
97.06602	0.3
99.08149	0.2
103.97646	1.4
109.02943	0.5
111.00916	0.3
112.98580	0.5
116.92871	0.7
121.02935	0.7
123.00870	1.7
123.08176	0.4
125.02419	0.2
125.09690	0.4
126.90518	1.7
134.86487	0.2
137.09677	0.4
138.03210	0.6
141.09262	1.1
141.10167	0.2
144.14012	0.2
151.11275	0.8
153.01956	0.4
153.05586	0.7
153.09251	1.3
153.11671	0.4
153.12852	4.9
160.84196	3.0
161.84238	0.3
162.83917	9.1
166.99841	2.0
169.12335	15.9
170.12634	0.5
170.14308	0.2
178.99838	0.4
179.10760	2.2
182.02202	4.4
196.91182	0.2
197.04648	1.5
197.11818	100.0
197.80777	5.3
198.12123	3.0
211.57788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
57.71641	0.4
57.99517	0.5
59.01381	100.0
60.01703	0.7
60.99296	0.5
61.98902	0.5
62.22347	0.4
65.00319	0.9
65.41250	0.5
71.29526	0.4
79.02259	0.5
83.01382	3.0
83.05052	0.7
95.01368	0.7
97.03438	0.5
98.20676	1.5
106.40099	0.5
107.01404	1.2
109.02941	1.6
111.00953	0.5
121.02966	0.8
123.00887	3.7
124.90920	0.5
125.02431	1.7
126.90549	1.3
130.90631	0.5
138.03180	0.6
151.00391	3.0
153.01923	7.8
153.05586	1.6
153.12881	0.6
154.97508	0.5
166.99806	2.3
169.12244	0.7
178.99858	1.0
182.02199	6.8
183.99918	0.5
197.00883	0.8
197.04596	2.3
197.11823	21.1
197.14587	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.2
58.87454	0.1
59.01367	0.7
61.98540	0.2
61.98832	2.5
65.00326	0.2
68.99566	0.7
69.03455	1.6
71.01392	0.2
71.05011	0.3
80.02649	0.2
81.03442	0.2
82.02969	0.2
83.05011	0.8
85.06593	0.2
94.69113	0.1
95.01391	0.6
95.05037	0.2
96.96028	0.3
97.02940	0.2
97.06587	0.5
99.08172	0.2
101.98053	0.2
103.97659	1.7
109.02948	0.3
112.98563	0.8
113.91975	0.2
116.92863	0.9
121.02959	0.8
123.00880	2.6
123.08157	0.4
125.02406	0.2
125.09709	0.3
126.90507	1.5
134.86542	0.3
136.39876	0.2
137.09679	0.2
138.03227	0.7
139.00230	0.2
141.09192	1.0
151.11298	0.9
153.01906	0.4
153.05563	0.7
153.09225	1.7
153.12840	4.9
153.14104	0.2
154.13225	0.3
160.84221	2.3
161.84151	0.3
162.35620	0.1
162.83905	7.3
166.99835	2.2
167.10715	0.2
169.12337	15.0
170.12646	0.4
178.99835	0.5
179.10745	1.7
180.92059	0.1
182.02206	4.4
196.81053	0.2
196.91083	0.2
197.04669	1.5
197.11821	100.0
197.78929	0.3
197.80783	5.1
198.12164	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	197.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
61.65432	0.2
61.98831	100.0
71.50450	0.3
89.63321	0.3
94.38015	0.3
95.01394	0.3
96.96011	3.5
99.94170	0.3
106.67294	0.3
107.03683	0.3
121.02977	0.4
134.04750	2.1
137.02162	0.3
160.84151	1.6
162.83923	4.7
197.04626	0.4
197.11842	0.3
197.80806	2.6
197.90314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0818
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
57.03450	1.3
59.01407	1.3
69.03477	1.6
70.77913	1.2
71.05042	2.0
71.51471	1.7
73.02941	7.3
95.01349	1.3
121.02956	2.4
123.00877	6.0
126.90519	1.9
135.08168	4.6
138.03223	2.4
153.01997	1.5
153.09209	100.0
154.09555	2.6
166.99820	4.3
169.12355	2.4
182.02179	8.3
197.04524	4.3
197.08163	3.6
197.11803	10.6
197.15385	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	195.139
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01381	7.5
61.98835	2.1
68.99581	0.8
70.08391	1.2
71.01373	0.5
73.02971	0.4
75.00881	0.7
83.05020	0.5
93.03480	0.4
101.00200	0.7
112.98565	1.2
121.02950	0.7
129.01903	0.3
135.06635	0.9
142.11806	0.4
150.03203	1.1
151.07646	0.8
158.84651	1.0
160.84215	39.4
165.05583	0.5
176.89594	0.4
177.12872	3.1
180.04283	1.3
194.90604	0.5
195.02954	0.7
195.13898	100.0
195.81090	17.4
196.09763	0.4
196.14232	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	196.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44525	0.3
58.10810	0.3
59.01387	1.6
69.46437	1.7
75.00867	2.2
76.01212	0.8
79.68093	0.2
79.95736	100.0
80.96524	0.4
87.00879	0.4
88.01211	0.3
93.37665	0.2
98.19880	0.5
99.00874	0.3
100.01280	0.3
104.03972	0.2
104.05389	0.5
104.25432	0.3
108.04560	0.7
121.02914	0.4
123.00866	0.7
125.02430	0.5
125.87970	0.3
129.01888	0.3
130.02312	1.7
132.04898	13.7
152.07104	0.3
153.05571	0.3
160.03264	0.3
166.99837	0.6
182.02197	1.1
195.64372	0.3
196.01073	36.5
196.05284	3.0
197.01331	0.6
197.04485	0.3
197.11760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.139
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01380	2.8
61.98833	2.7
66.03480	0.2
68.45822	0.2
68.99571	4.1
69.03516	0.2
70.02303	0.6
75.00880	0.2
82.35178	0.2
85.02938	0.3
95.01385	0.2
95.05039	0.2
96.91196	0.2
96.96017	0.6
97.02946	0.2
98.20016	0.2
99.28884	0.2
101.00198	1.9
103.92009	0.3
107.05033	0.3
109.06595	4.0
111.08170	2.8
112.98563	4.3
121.02968	0.4
122.03740	0.6
123.00835	0.3
123.04496	0.4
123.08154	0.2
125.02447	0.2
125.09734	0.6
127.74548	0.2
129.01950	0.2
130.99243	0.8
132.86778	0.6
133.03085	0.2
135.06615	0.6
135.11833	0.5
137.02455	0.2
138.06879	0.6
139.07567	0.2
150.03212	0.5
151.07639	0.2
151.11258	0.7
152.91718	0.2
153.92166	0.2
155.07155	0.2
158.84669	0.3
160.84213	13.9
165.01952	0.5
165.05594	0.4
167.14403	6.2
167.85114	0.2
177.12918	0.4
179.10771	4.1
180.04280	0.8
180.11554	0.3
183.14078	0.2
194.95534	0.2
194.99319	0.3
195.02942	0.6
195.13898	100.0
195.81091	6.1
196.14221	4.2
197.21669	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1389
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
51.78112	0.2
57.03447	45.9
58.03783	0.6
59.01382	1.1
69.03442	0.4
71.05032	0.4
75.53892	0.1
76.12769	0.1
81.03473	0.4
81.07123	0.2
83.05023	2.3
85.06586	1.4
95.05005	0.2
97.02988	0.2
97.06585	0.6
105.01931	0.2
107.05045	0.3
109.06605	0.8
111.08170	0.3
121.06591	2.3
123.04563	0.3
123.08164	10.3
133.06624	0.3
134.07391	2.0
135.08199	0.3
136.05319	0.3
137.09721	14.1
138.10027	0.2
139.07671	0.5
139.11285	6.7
146.54913	0.1
147.11751	0.3
148.77501	0.1
149.09714	23.9
150.03188	0.3
150.10056	0.6
151.07672	0.5
151.11282	3.5
161.09703	1.2
165.01996	0.2
165.05592	0.3
165.12834	7.4
166.13266	0.2
167.14398	2.6
169.08969	0.2
177.09274	0.4
177.12840	7.5
178.13205	0.2
179.10748	4.3
180.04297	0.3
180.11110	0.2
193.12299	0.9
195.13893	100.0
196.14223	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	193.0506
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
59.01376	0.4
66.08234	0.2
68.55439	0.2
70.18831	0.2
71.01380	0.2
71.08543	0.5
88.53696	0.2
89.03970	2.9
101.02438	0.3
106.04253	0.9
117.03463	6.5
121.02963	0.6
133.02957	1.4
134.03740	100.0
135.04060	2.0
135.16127	0.2
137.02440	4.3
137.30200	0.2
139.03998	1.5
149.06079	8.1
150.03165	0.4
163.15579	0.2
165.01935	0.3
178.02707	15.6
179.03041	0.4
193.05046	15.2
194.05324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.051
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
57.03448	4.4
57.16000	0.3
58.00625	0.4
59.01379	17.4
68.99836	1.0
69.60797	2.1
71.01380	10.5
72.99312	6.5
75.00872	100.0
76.01196	0.6
83.01380	0.6
85.02949	6.4
87.00875	17.1
89.02442	5.3
97.02950	0.4
99.00878	14.0
101.02457	1.7
111.00920	0.4
123.06527	0.4
124.76373	0.4
129.01949	48.7
130.02330	0.5
141.01952	0.7
153.41000	0.4
159.03001	3.9
165.74965	0.4
177.04062	5.3
195.05096	81.3
196.05409	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	195.0509
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
55.01873	0.8
57.03450	4.6
58.00590	0.7
59.01377	18.9
64.22882	0.3
68.99820	0.7
69.42812	0.3
71.01378	10.1
71.01784	0.5
71.24307	0.5
72.99306	6.4
73.02959	0.4
75.00871	100.0
76.01203	0.7
83.01402	0.7
84.02178	0.4
85.02940	5.9
87.00874	15.9
89.02440	5.8
97.05333	0.3
99.00882	16.6
101.02424	1.9
103.13573	0.4
111.00883	0.5
113.02482	0.4
118.63848	0.3
123.08189	0.4
129.01944	50.1
130.02293	0.7
130.99246	0.5
141.01968	0.4
151.07651	0.4
159.02975	3.9
177.04041	5.3
195.05089	87.3
196.05444	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02967	0.3
59.01383	0.6
69.59412	1.4
69.59819	0.4
71.01402	0.4
72.49445	0.3
73.02946	0.4
79.75298	0.3
82.93016	0.3
85.02943	0.5
89.03970	3.7
92.87488	0.3
93.03436	0.3
101.02473	0.4
103.00381	0.5
106.04257	1.0
117.03467	7.7
117.04298	0.5
120.67493	0.3
121.02939	1.2
133.02969	1.9
134.03741	100.0
135.04083	2.1
137.02440	6.1
139.04007	1.9
149.06081	10.2
150.03235	0.5
150.06422	0.6
155.40892	0.3
161.04539	0.8
161.24324	0.3
178.02711	23.4
179.03044	0.6
193.05055	20.7
194.05475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
69.76717	0.9
71.01350	0.2
73.02971	0.3
85.02969	0.2
89.03973	2.8
99.00911	0.2
101.02467	0.4
103.00363	0.2
106.04232	0.9
117.03462	5.0
121.02998	0.2
133.02977	0.5
134.03741	100.0
135.04062	2.1
137.02423	0.7
139.04140	0.2
149.06085	2.9
157.78557	0.2
161.04539	0.5
175.11287	0.3
178.02718	2.9
179.03055	0.2
193.05052	8.3
193.06837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98830	11.0
66.91712	1.0
69.03467	1.1
69.77287	4.4
71.01395	1.6
73.02969	1.1
75.00887	2.0
81.44956	0.9
83.01382	1.0
98.02458	1.9
99.04529	0.8
101.02459	4.3
101.16257	1.0
102.05618	0.8
113.02458	1.8
119.80742	0.8
128.03528	1.6
130.08730	2.0
131.03522	2.1
141.86819	50.2
142.05107	1.0
142.08647	1.0
144.06679	1.1
144.10289	2.2
146.08261	1.5
159.87869	5.8
187.86113	3.9
188.05579	1.7
188.09380	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Citric acid
Peak:m/z	Relative Intensity
51.74488	0.5
54.41118	0.5
57.03452	5.0
57.79308	0.4
59.01388	1.0
59.05198	0.5
67.01898	3.0
68.65893	0.5
70.56408	0.9
70.56787	1.0
71.01383	1.2
72.99310	2.7
72.99651	0.4
73.02936	4.6
83.01414	0.6
85.02950	29.9
86.03230	0.5
87.00877	38.2
90.59469	0.4
99.00857	0.9
101.02429	0.8
111.00880	100.0
112.01240	1.3
112.98794	1.5
117.01929	5.8
127.56567	0.5
129.01929	7.0
130.99869	1.0
147.02971	0.6
148.95061	0.5
154.99902	3.3
169.34987	0.5
173.00903	6.0
191.01974	12.6
191.05638	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	191.0351
Annotation	Pisonin F
Peak:m/z	Relative Intensity
55.00224	0.2
57.03437	0.9
59.01380	11.0
61.98836	0.5
67.01888	0.3
69.72782	0.7
69.73197	0.7
71.01376	0.6
72.99313	0.8
73.02939	1.3
80.65555	0.2
83.01399	0.5
85.02955	5.8
87.00874	5.4
93.03471	0.6
99.00884	0.4
99.27837	0.2
101.02441	0.3
107.79327	0.3
111.00879	14.0
117.01953	0.7
118.99345	0.5
119.05019	1.4
121.02954	100.0
122.03285	2.6
129.01935	0.7
131.03484	1.0
144.86447	0.4
145.86293	0.4
147.04509	5.6
148.01723	0.3
154.99876	0.8
159.42789	0.2
163.04010	1.2
173.00896	0.9
176.01111	1.6
191.01935	1.3
191.03506	9.5
191.05600	5.0
191.07117	0.3
191.10774	0.7
192.03847	0.4
192.06551	0.3
200.54916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.2
57.03451	6.2
58.00595	1.0
59.01380	20.0
62.75733	0.4
63.76321	0.4
65.46120	0.4
67.01886	0.4
68.99828	0.7
69.03442	1.0
71.01382	100.0
71.51231	0.4
71.51639	0.5
72.01718	0.8
72.99297	1.7
73.02946	28.1
75.00845	2.0
83.01391	11.5
83.05037	1.0
84.02180	0.6
85.02951	48.6
87.00873	3.3
87.94754	0.4
89.02451	2.8
95.01387	8.4
97.02942	1.3
97.89118	0.4
99.00886	10.3
101.02444	35.2
111.04534	1.1
112.59998	0.5
113.02454	35.0
114.02843	0.6
125.02443	1.2
127.07654	6.8
129.01941	1.0
129.05573	9.7
131.04681	0.6
132.05374	0.5
141.86836	1.5
143.03529	0.9
144.04550	9.9
144.05602	0.9
159.02991	5.1
159.04184	0.9
160.04871	1.6
161.02483	0.5
161.04556	12.5
161.05917	0.8
171.06676	1.2
172.85431	0.4
183.49358	0.4
188.04283	2.4
189.07732	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	185.1183
Annotation	[1S-(2-endo,3-exo)]-1-(hydroxymethyl)-7,7-dimethyl-bicyclo[2.2.1]heptane-2,3-diol
Peak:m/z	Relative Intensity
62.51487	0.9
69.42860	3.9
73.02946	18.5
81.07082	1.1
85.02968	3.5
96.19492	0.7
97.06575	0.9
108.71451	0.7
112.98856	1.4
122.18592	0.7
125.09688	0.8
137.09724	6.1
141.09222	2.5
149.09698	2.1
155.10774	35.9
156.11121	0.8
160.14549	0.9
167.10777	21.8
183.10286	0.9
185.11823	100.0
186.05586	1.0
186.12119	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	185.1183
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
51.24530	1.7
59.01370	3.1
68.79498	2.0
68.99803	3.1
73.02911	2.8
83.05025	1.9
85.02970	2.2
97.02937	3.7
97.06605	4.7
98.67491	2.2
112.98816	5.3
113.02338	2.2
113.09684	2.0
123.08127	3.3
135.11623	2.1
139.11281	6.8
141.09244	10.1
141.12831	5.7
155.10831	5.3
167.10808	5.5
185.06122	2.7
185.08209	6.4
185.11816	100.0
186.12222	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	185.1183
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
54.28356	0.5
57.04265	0.4
58.32762	0.5
59.01376	3.1
68.99820	0.7
69.13981	3.8
69.14384	1.0
71.01376	0.5
71.05017	0.8
73.02947	0.6
83.05032	0.6
84.36002	0.4
85.02946	0.6
85.06560	0.5
88.70260	0.4
97.02951	0.9
97.06590	1.1
98.20646	1.1
112.98822	1.3
113.06091	1.4
123.08129	1.0
137.09731	0.7
139.11348	2.1
141.05626	0.5
141.09232	2.7
141.12852	0.8
149.09721	1.8
155.10779	13.0
163.18277	0.5
166.99911	0.5
167.10773	25.2
168.11137	0.5
183.10237	1.2
185.11823	100.0
186.12227	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	185.1182
Annotation	Epomediol
Peak:m/z	Relative Intensity
53.67082	0.7
59.01377	34.8
65.90323	0.6
69.03453	0.9
69.25219	1.6
69.25638	4.2
71.01379	4.5
71.05026	5.1
97.06604	0.7
100.54948	0.6
111.08138	2.1
112.98798	2.7
115.04009	100.0
116.04356	1.6
123.04541	0.8
125.09695	0.7
125.58990	0.7
132.67596	0.7
139.11285	1.0
141.09187	1.8
141.12811	0.9
162.96983	0.6
163.46910	0.7
167.03511	0.8
167.10776	18.4
168.11160	0.7
183.10225	3.0
185.11819	96.6
186.12164	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	185.1182
Annotation	Epomediol
Peak:m/z	Relative Intensity
51.46306	0.4
59.01378	100.0
60.01720	0.6
65.05621	0.4
69.20728	3.9
85.02950	0.6
97.02948	0.5
97.06590	0.7
112.98812	0.9
123.08218	0.7
139.87263	0.5
141.09200	1.5
185.08293	0.7
185.11829	20.8
185.13492	1.1
186.17433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0379
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02962	0.9
59.01386	1.3
61.98829	100.0
62.98568	0.4
63.99254	5.3
67.01888	0.9
68.99555	0.9
69.72102	1.7
69.72504	0.6
71.02181	0.4
73.02930	0.8
74.02453	0.4
78.95907	1.4
84.36165	0.4
87.00889	0.4
88.04023	1.1
92.93164	0.4
98.02472	1.0
98.20701	0.4
99.00882	1.0
99.04492	1.5
101.07227	0.5
102.05583	0.9
103.98326	0.4
108.90194	0.7
110.89912	13.6
110.98533	1.5
111.00887	4.4
112.89637	6.5
112.98502	0.5
114.05598	0.7
114.09244	0.6
115.03993	0.5
116.03545	1.1
122.89378	0.8
125.02471	3.1
125.07156	0.5
125.09677	0.9
127.00365	0.6
128.03520	1.4
140.87181	0.7
140.93094	0.5
141.86813	38.4
142.08763	0.5
143.03471	1.0
143.04510	0.5
143.11870	1.7
144.02983	1.5
144.06616	0.8
159.87872	8.0
164.62347	0.4
170.04408	0.5
186.86397	0.8
186.92426	31.3
186.98160	0.7
187.02260	0.7
187.03752	0.7
187.10950	3.2
187.86086	3.5
187.97740	0.5
188.05582	0.6
188.09206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
59.01378	2.9
67.01901	0.6
68.99789	0.6
69.03456	6.1
71.01394	1.3
71.50616	0.6
72.99298	1.6
73.65843	0.5
78.95901	2.6
79.05534	4.9
81.03459	2.5
83.01373	0.9
83.05034	0.9
85.02947	1.6
87.00874	100.0
87.14133	0.5
88.01217	1.6
93.03471	0.5
95.05038	1.4
97.02951	30.3
97.06586	29.6
98.06922	0.7
99.04496	2.6
108.21492	0.5
109.02966	2.4
110.02502	0.6
110.94591	0.5
110.98522	3.3
111.04475	0.7
112.04053	2.2
112.98785	0.8
113.02450	0.7
113.04382	1.7
123.04524	45.4
123.08195	0.7
124.04816	1.0
125.02445	1.3
125.04350	1.8
139.05957	0.9
139.87270	0.7
141.01933	0.6
141.05583	9.7
141.07484	0.5
141.09222	3.4
141.10243	0.8
167.02162	0.9
167.03488	10.8
185.00813	0.7
185.02281	1.3
185.04532	3.7
185.06400	3.0
185.08157	1.4
185.11830	4.8
185.15451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0615
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
59.01379	54.8
70.02962	1.8
71.01382	14.1
71.27005	1.8
76.29375	0.9
84.04551	7.7
87.28968	0.9
94.02991	4.4
95.05025	1.8
96.00940	1.0
97.01686	5.5
98.06092	1.1
104.58833	0.9
106.01723	0.9
109.02980	2.1
110.02467	2.5
112.04048	100.0
113.02457	1.5
113.04395	1.6
113.06075	1.3
122.06128	9.6
124.04044	79.7
125.04371	1.4
133.84727	0.9
140.07176	37.6
145.89700	0.8
154.05106	1.4
166.05064	7.2
184.06139	95.1
185.06450	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	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
53.00297	0.3
57.03441	0.3
59.01388	0.5
65.00310	0.4
67.01895	0.7
68.99569	0.7
69.03448	0.3
78.45306	0.3
83.05044	0.4
95.01389	0.7
97.02956	0.4
98.02497	0.3
101.02402	0.3
109.02879	0.3
109.46959	0.3
111.00845	1.5
111.04488	0.6
112.00401	0.3
112.04044	0.4
112.98579	0.9
116.92848	0.4
118.14089	0.3
121.06608	0.4
123.00886	0.4
123.04530	0.3
124.01675	0.6
137.02504	0.3
137.21658	0.3
139.00375	0.6
139.03984	0.5
139.07660	0.6
139.11267	0.6
152.98277	0.4
164.98326	0.4
165.01901	0.6
168.00647	0.9
183.00488	0.8
183.02980	2.2
183.06544	0.9
183.10573	2.5
183.13896	100.0
184.06133	0.6
184.14229	3.7
193.89584	0.3
202.06213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58320	0.8
66.03480	1.3
69.03447	1.6
69.21152	4.5
69.21577	2.7
78.03503	0.9
84.04547	6.7
94.02973	3.0
95.03780	1.5
96.00905	1.0
97.01674	2.1
97.06640	1.0
98.20613	1.5
110.02460	3.9
111.08154	1.5
112.04048	100.0
135.06900	5.6
136.03993	0.8
137.09706	3.1
139.11284	7.2
149.08437	2.4
150.01959	1.0
164.10797	84.9
165.11119	2.1
182.11850	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1025
Annotation	Crocusatin B
Peak:m/z	Relative Intensity
57.03439	18.1
58.38752	3.7
59.01382	6.6
68.99561	12.0
71.51694	5.9
76.20519	4.9
83.05031	8.3
90.75000	4.0
95.01430	6.3
112.98587	6.2
113.06108	9.8
121.10236	17.9
139.11305	57.0
165.09215	9.0
183.03024	4.4
183.10260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0458
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
50.18326	0.2
51.16678	0.2
52.08082	0.3
56.97412	0.2
57.99678	0.2
59.01351	0.3
61.98830	53.3
66.03499	0.4
66.56724	0.3
67.84738	0.3
70.70067	0.4
70.70388	0.4
71.01383	0.3
82.02985	0.5
83.01421	0.3
83.05038	0.4
84.04562	0.5
92.05068	3.7
93.03469	0.4
93.19451	0.2
94.02981	1.4
95.01392	0.7
96.95990	1.9
98.06143	0.4
104.49106	0.2
108.04558	49.1
108.90181	0.8
109.02989	0.4
109.04893	0.6
110.02478	0.5
110.03289	0.6
110.06123	1.1
111.04527	0.8
114.24273	0.3
120.04553	4.7
122.02467	1.7
123.00925	0.5
123.03275	1.4
123.04533	0.3
123.77935	0.3
124.04046	0.6
134.06123	0.3
136.04056	1.7
136.07649	0.4
136.93904	0.6
137.96278	0.4
138.05612	100.0
139.02713	0.3
139.04031	0.3
139.05960	1.9
143.86507	0.9
145.86218	0.4
147.37019	0.2
147.38342	0.3
152.00728	0.4
152.03523	1.4
164.03534	0.6
164.07230	0.4
165.05574	0.6
167.03076	0.5
168.00652	0.4
181.83850	0.3
181.92503	0.7
181.95279	0.8
182.04575	29.6
182.08087	0.9
182.93001	14.6
183.03094	0.5
183.04910	0.6
183.06514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31812	0.3
59.01374	1.4
61.41191	0.3
61.98817	0.7
64.66893	0.3
69.78249	0.9
71.01375	0.7
87.00889	1.0
89.02462	0.3
93.10091	0.2
119.93716	1.4
134.96091	57.2
135.96133	2.6
136.94008	100.0
137.94077	4.0
151.92719	16.3
152.92819	0.5
161.04529	0.5
178.95061	79.7
179.05617	0.6
179.95168	3.8
196.96057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
59.01389	0.9
70.85670	0.3
70.86012	0.4
71.01385	0.7
84.41792	0.2
87.00893	0.6
89.02419	0.3
89.03954	0.3
90.77055	0.2
91.05521	0.6
106.04279	0.4
107.05022	1.8
109.03035	0.2
117.03470	0.6
134.03752	5.9
135.04526	100.0
136.04848	2.7
151.00381	0.2
161.04488	0.3
179.03502	19.5
180.03844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0506
Annotation	Ethyl 3,4-dihydroxybenzoate
Peak:m/z	Relative Intensity
52.90711	0.3
59.01376	2.2
63.26714	0.3
65.00322	0.5
65.03965	9.6
67.01894	2.6
69.43029	1.5
69.43444	0.5
71.01379	2.2
71.05016	0.4
73.02919	0.3
75.61575	0.3
83.01427	0.3
83.05042	0.6
84.34963	0.3
85.02932	0.4
91.01888	0.9
91.05525	0.3
93.03464	3.3
93.07130	0.3
95.01326	0.4
95.05013	1.2
98.20636	0.6
101.02420	0.9
108.02168	0.6
109.02951	100.0
110.02616	0.4
110.03281	1.7
111.04533	0.5
119.05020	1.4
121.02940	0.9
121.06609	0.3
122.03731	0.6
123.00854	0.5
123.04531	2.9
135.00859	1.6
135.04504	0.9
137.02449	3.9
137.05104	0.5
137.06088	5.1
137.09724	2.1
138.01897	0.5
139.40083	0.3
148.01663	5.2
151.00414	2.2
151.04004	3.7
153.01927	0.5
163.04015	4.8
163.07745	0.4
166.02727	4.1
169.68304	0.3
181.01610	0.9
181.05061	43.1
181.08626	1.6
182.05373	1.0
190.19136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1283
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
57.03445	8.7
59.01373	0.8
66.18983	0.2
71.51134	0.2
79.05529	0.3
81.03452	2.7
83.05038	0.3
90.56432	0.1
93.07108	0.3
97.06582	0.9
104.67459	0.1
105.03503	0.1
106.04263	0.7
107.05023	0.6
109.06596	0.3
109.90276	0.2
119.08663	2.7
120.05774	0.4
121.06594	9.3
123.08183	0.8
133.02948	0.2
133.06598	0.2
134.07368	0.6
135.04512	0.7
135.08136	0.5
135.11784	1.4
137.09720	0.4
145.06607	0.3
146.07401	0.2
149.09703	1.7
159.11795	0.9
161.09715	23.8
162.10080	1.0
175.11247	0.6
177.01941	3.0
177.12837	100.0
178.02199	0.2
178.13174	3.3
187.44550	0.2
189.55394	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Esculetin
Peak:m/z	Relative Intensity
52.19590	0.1
59.01369	0.8
61.39719	0.1
63.02399	1.6
65.00319	1.3
65.03976	0.3
67.01891	1.0
68.99816	0.3
69.48631	0.3
69.49042	0.6
77.03981	0.3
81.10896	0.2
85.34042	0.1
88.22659	0.1
89.00311	0.8
89.03967	3.9
91.01891	3.0
93.03496	0.2
95.05029	0.7
102.96626	0.1
105.03452	1.4
107.01382	1.9
109.02946	2.1
121.02939	0.9
123.04524	0.9
132.02168	0.2
133.02966	5.4
135.00891	2.6
147.00876	0.3
149.02414	1.3
151.00369	0.2
162.03227	0.2
162.11044	0.2
177.01932	100.0
178.02274	2.8
191.89656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05439	0.3
55.00646	0.3
57.03437	0.5
59.01360	0.3
69.46129	0.3
81.03432	0.6
85.02957	3.0
85.06599	2.4
91.05511	1.3
93.07123	0.5
97.06567	0.4
101.06091	2.9
113.06089	6.3
119.05060	1.5
129.05592	5.6
129.09222	1.1
131.07138	3.5
133.10229	2.0
141.07100	0.6
144.05836	0.5
145.06583	1.2
147.08124	0.4
155.08682	0.4
157.06575	1.8
157.10216	1.2
159.08156	13.0
160.08961	4.2
173.09717	3.4
173.66707	0.3
175.09766	14.2
175.11252	100.0
176.10190	0.4
176.11617	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	175.1127
Annotation	N-butyryl-L-Homoserine lactone-d5
Peak:m/z	Relative Intensity
55.58617	0.2
57.03432	0.5
57.70078	0.2
59.01373	0.3
66.93913	0.2
69.21556	1.4
71.01376	0.4
80.28474	0.2
81.03449	0.6
82.60114	0.1
83.05015	0.5
85.06583	0.5
87.00893	0.3
91.05529	1.1
93.07105	0.7
95.41058	0.2
95.90395	0.2
97.06612	0.4
101.06076	0.3
107.05108	0.2
113.06108	1.2
115.00361	0.4
119.05037	2.3
122.19628	0.2
124.54774	0.2
129.05559	0.7
129.09160	0.2
131.07094	0.5
131.08620	0.2
133.10233	2.1
134.10625	0.2
141.07124	0.8
145.06606	1.1
145.07616	0.2
147.08136	0.5
157.06596	1.7
157.10202	1.1
159.08154	11.8
160.08943	3.8
173.09703	3.2
175.09975	3.6
175.11269	100.0
176.10051	0.3
176.11598	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	175.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.8
69.03437	0.9
71.01382	2.2
83.05034	0.9
84.07500	0.7
85.02952	14.4
85.06590	16.7
87.00879	2.6
95.05016	0.8
101.06081	18.1
110.35861	0.7
113.06087	44.6
114.06473	0.8
115.00394	1.3
115.07653	1.0
115.52494	0.7
129.05580	37.7
129.09224	6.0
131.07138	22.9
132.07555	0.8
144.65651	0.7
157.08604	0.8
159.08092	0.8
169.66043	0.7
175.09758	100.0
175.11174	5.3
176.10100	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	175.0976
Annotation	L-Cladinose
Peak:m/z	Relative Intensity
59.01357	1.1
69.30867	8.4
69.31189	1.8
71.01379	1.0
83.05017	1.3
85.02950	17.7
85.06588	20.6
87.00877	1.9
91.05598	1.1
98.19972	2.4
101.06081	19.5
113.06091	45.8
114.06408	1.5
115.00352	2.4
119.05007	1.3
129.05580	37.2
129.09219	5.2
131.06139	1.4
131.07132	26.6
133.10228	2.0
134.47226	1.0
157.06529	0.9
159.08159	8.3
160.08856	3.2
173.09641	1.5
175.09723	100.0
175.11255	70.0
176.10167	1.1
176.11577	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	175.0975
Annotation	Metaldehyde
Peak:m/z	Relative Intensity
53.50300	0.4
57.03448	7.1
57.34530	0.4
59.01377	12.3
64.38658	0.5
64.66199	0.5
68.99820	1.2
69.03452	1.7
69.63398	3.3
71.01382	11.4
71.05021	20.3
72.99307	1.4
73.02937	1.7
85.02962	2.4
85.06569	0.7
87.00872	17.6
87.04518	2.4
95.04994	0.6
99.08162	6.6
100.98842	0.8
101.02437	0.9
101.06068	1.7
111.08124	2.7
113.06081	2.8
113.09768	0.5
115.00368	19.3
115.03254	0.5
115.04017	2.3
124.98785	1.4
127.07654	1.7
129.09218	9.2
131.03572	0.7
131.05043	0.7
131.10777	2.0
139.07660	0.6
147.04529	1.3
147.05614	0.7
155.07042	0.9
157.08684	14.0
173.08188	6.1
174.82829	0.7
174.88971	5.6
175.02461	6.5
175.04012	2.2
175.09750	100.0
176.03557	1.2
176.10114	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	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03435	1.5
59.01377	9.3
68.99797	0.5
69.03447	0.5
70.84082	1.3
70.88734	0.6
71.01379	5.3
73.15871	0.5
76.41248	0.6
77.09304	0.5
78.36921	0.5
85.02936	1.2
85.06590	44.0
86.06923	0.6
87.00876	9.6
87.04528	1.6
105.32597	0.5
107.88280	0.5
110.96239	0.5
113.06089	39.8
115.00370	11.1
115.04011	100.0
115.92010	0.6
116.04351	1.8
129.05576	1.8
131.03699	1.2
131.07133	7.6
141.10495	0.5
157.05055	10.8
160.01677	0.8
174.88957	2.8
175.02498	3.1
175.06114	63.0
176.06505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
51.91722	0.3
57.03451	0.6
59.01381	21.2
61.98835	0.5
68.99819	1.2
69.03449	1.9
70.25713	1.4
71.01382	7.3
71.05022	1.7
71.53024	0.4
72.99314	1.5
73.02949	1.2
83.01373	0.5
85.02963	1.9
85.06590	20.8
87.00878	100.0
87.04516	5.2
88.01224	0.7
89.03554	0.6
98.58337	0.4
99.00906	0.4
101.02467	2.1
113.02497	0.5
113.06091	15.8
115.00375	13.8
115.03996	4.4
117.01968	0.7
122.86234	0.4
124.98804	1.1
127.00349	0.7
129.05591	1.5
131.03654	1.2
131.04955	0.7
131.07137	1.6
132.98184	0.9
133.05177	0.4
147.02905	0.5
147.04523	0.8
148.04036	0.6
157.05020	2.7
174.82841	2.9
174.88956	4.1
175.02609	5.1
175.03940	0.8
175.06120	29.2
175.09735	1.4
176.03557	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	173.0819
Annotation	Suberic acid
Peak:m/z	Relative Intensity
55.01881	1.8
57.03453	4.8
59.01379	100.0
60.99298	2.3
61.98820	1.5
65.00307	1.0
67.01891	9.8
69.03448	4.1
71.01380	49.3
71.05022	19.6
72.99286	2.7
73.02936	5.5
73.06582	2.0
77.14051	0.8
77.89169	0.8
79.84840	0.8
81.03455	2.2
83.01397	1.8
83.05023	12.3
85.01189	2.0
85.02953	15.9
87.04495	1.7
93.03461	38.8
93.07083	0.9
94.03835	1.0
95.05032	2.3
97.02941	1.8
99.00909	4.5
99.04520	5.5
99.08170	2.2
101.02444	1.6
101.06080	53.2
102.06462	1.0
104.24783	0.9
109.06598	2.8
111.00893	17.0
111.04526	9.7
111.08170	10.0
112.98803	1.3
113.06091	5.6
118.88253	0.7
125.99582	5.2
127.07661	1.8
129.00215	0.9
129.01913	3.6
129.05577	1.0
129.09178	2.3
130.06645	1.0
131.08270	5.2
132.44342	0.8
137.02452	1.7
137.06070	2.4
140.01155	1.1
142.99870	1.2
145.02901	1.0
145.04964	1.1
146.06108	0.9
154.99883	2.2
155.03503	1.6
155.07133	22.4
172.83014	2.2
173.00865	1.6
173.02364	1.9
173.04640	7.0
173.08182	66.3
174.08562	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	173.0091
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
53.00312	0.8
55.01868	1.8
57.03461	1.0
58.02970	2.7
59.01379	2.8
61.98829	4.2
67.01888	5.2
68.99815	1.3
70.37105	1.6
70.37497	1.3
71.01379	22.9
72.99303	6.8
73.02936	2.4
83.01390	5.6
83.05061	0.6
85.02949	50.3
86.06094	0.9
87.00880	2.6
93.03451	4.6
96.96019	4.6
96.99318	1.7
97.02979	0.7
99.00868	11.5
100.07678	2.8
101.02429	5.6
111.00878	100.0
111.04522	1.6
112.01229	1.6
112.98807	20.1
113.04384	0.9
113.99092	0.8
115.00349	1.7
124.98813	6.5
128.07170	6.7
129.01933	11.9
131.08260	17.7
132.06653	1.0
135.05142	1.6
138.95697	0.7
140.98273	1.0
142.99858	31.8
154.99869	13.8
155.03493	0.7
156.00273	0.7
172.83044	11.5
172.87965	0.8
173.00894	10.2
173.08125	1.3
173.10474	1.7
173.88525	1.4
174.07677	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	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.0
53.81071	0.8
55.01869	2.3
57.03441	3.2
58.02964	1.5
59.01379	6.3
61.98540	1.3
61.98833	16.8
67.01891	7.0
68.99832	1.9
70.03895	2.6
71.01384	43.0
72.99300	4.7
73.02943	4.3
78.95891	1.1
83.01404	8.2
83.05000	1.0
83.06149	0.8
85.02953	61.6
87.00893	4.4
93.03478	3.9
96.96027	1.8
96.96959	2.3
96.99285	1.6
99.00878	14.0
100.07657	1.4
101.02445	4.7
103.92008	0.9
111.00883	100.0
111.04499	4.3
112.01215	1.4
112.98813	49.1
113.02482	0.9
113.75673	0.9
114.05672	0.9
115.00356	2.3
124.40349	0.9
124.98799	8.8
128.07172	2.5
129.01952	11.1
129.05589	1.2
131.08269	43.3
137.02452	1.8
140.98311	1.7
142.99857	39.0
144.00098	0.8
154.99879	8.0
155.03517	1.4
156.07741	1.5
172.83049	10.1
173.00902	8.5
173.04549	1.9
173.10460	3.3
173.12567	0.9
173.88588	5.9
174.07695	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	172.0979
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
53.22416	0.3
58.02970	1.2
59.01386	0.4
67.01893	0.6
70.09357	0.9
73.02958	0.3
74.71585	0.3
85.02953	0.7
86.68762	0.3
93.03447	2.5
111.00876	0.9
111.04575	0.4
111.08129	0.4
112.04029	0.4
114.32487	0.3
128.10805	4.6
130.08737	100.0
131.09106	2.1
144.04521	0.6
145.06541	0.4
172.04057	0.5
172.09784	18.2
173.04518	0.4
173.10063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
59.01361	0.4
70.99868	0.4
71.28754	0.9
76.38279	0.4
99.00835	0.5
99.08157	0.6
99.92576	1.9
104.63719	0.4
108.51038	0.4
110.65956	0.4
115.92133	0.4
125.09732	2.8
127.07643	1.9
127.11295	6.3
139.75777	0.4
143.07135	0.5
151.34784	0.5
153.09171	1.4
171.01923	1.2
171.10262	100.0
172.10667	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	165.0557
Annotation	Caffeyl alcohol
Peak:m/z	Relative Intensity
55.45023	0.2
58.27477	0.2
59.01400	0.3
70.02475	1.0
71.01366	0.4
72.99306	1.7
75.00896	0.5
77.03992	0.4
87.00910	0.6
89.02460	0.2
93.03466	0.5
101.02498	0.3
105.01942	0.5
119.05008	1.7
121.02960	6.7
122.03751	9.0
123.04596	0.5
135.04565	0.3
137.02428	0.3
137.06100	0.3
147.04533	5.0
147.05658	0.3
150.03229	100.0
151.03575	3.3
165.01949	1.5
165.04166	0.8
165.05560	17.0
165.09143	1.0
166.05998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0873
Annotation	Epinine
Peak:m/z	Relative Intensity
58.02962	2.2
66.03490	3.1
70.91797	4.5
70.92177	4.3
72.04580	2.2
94.02964	2.5
94.04244	4.1
95.05016	5.5
97.01691	2.5
105.07113	2.8
107.04974	2.5
108.02192	11.1
108.04573	7.5
110.02476	43.0
110.06125	11.7
111.61429	2.0
112.04050	13.5
113.23750	1.8
121.06602	6.9
122.03307	6.6
122.06121	15.0
123.04546	11.4
123.08174	59.6
124.01640	1.9
124.07674	5.8
125.06055	5.0
125.98705	1.8
133.05275	2.1
133.67503	1.9
136.04022	4.3
136.07689	4.9
137.04826	14.1
137.05916	3.4
138.05589	8.7
138.09239	12.2
139.07669	9.1
143.02234	2.3
148.04001	3.0
148.07692	30.3
150.05646	2.0
151.06390	75.4
152.01160	22.0
161.96280	2.3
166.02281	6.5
166.05061	10.8
166.08731	100.0
167.03470	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1393
Annotation	Nitramine
Peak:m/z	Relative Intensity
58.02974	100.0
59.03303	0.4
67.35031	0.2
68.99812	0.6
69.03461	0.3
70.02961	0.5
70.26344	1.0
76.91157	0.3
81.03465	0.3
97.02960	0.5
122.89412	0.7
123.04490	0.3
125.02449	6.0
132.86774	1.8
149.50351	0.3
151.11279	0.6
153.00485	0.4
153.01550	0.4
168.06593	0.3
168.13916	12.2
168.83580	0.7
168.99010	0.4
169.01419	2.5
169.14291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29445	0.2
59.01364	0.3
65.00317	0.5
65.03967	0.3
65.37810	0.2
67.01895	0.8
68.99811	0.7
70.78188	0.4
71.01385	0.4
74.84598	0.2
75.00887	0.2
77.03988	0.6
79.01910	0.4
93.03461	8.2
95.01394	1.1
105.01935	0.3
110.02501	0.3
121.02957	48.2
121.65273	0.2
122.03305	0.9
123.08165	0.6
137.02449	0.5
138.05699	0.3
147.04486	0.3
148.03999	0.5
148.07709	0.5
150.03242	0.7
151.06349	0.6
165.01927	100.0
166.02248	2.8
166.08763	0.8
176.23424	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
59.57335	0.2
65.00323	0.4
65.03942	0.4
66.21630	0.2
67.01885	0.8
68.99808	0.5
69.98660	0.8
70.16712	0.2
77.03954	0.4
79.01890	0.9
79.94458	0.2
93.03460	8.1
94.27122	0.2
95.01389	1.3
102.47582	0.2
116.05754	0.2
121.02954	43.9
122.03295	0.9
165.01923	100.0
166.02264	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	165.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
65.00327	0.4
67.01888	0.8
68.72269	0.2
68.99805	0.4
70.11967	0.3
70.53532	0.8
72.99283	0.3
75.00858	0.7
77.03983	0.4
79.01891	0.9
84.45430	0.3
87.00873	0.3
93.03455	9.0
93.04029	0.5
95.01385	1.2
102.89812	0.2
105.01917	0.4
121.02956	48.5
122.03284	0.7
136.04904	0.3
150.03192	0.4
165.01929	100.0
166.02242	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	164.0717
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
71.21483	1.0
72.00909	32.8
90.13694	0.6
91.05534	2.0
103.05534	6.5
119.05044	1.0
121.02946	1.4
134.06194	0.6
136.07712	0.8
144.08075	0.6
146.06172	0.7
147.04521	100.0
148.04861	3.8
164.07166	59.8
165.01941	1.0
165.07484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
59.01382	0.3
65.00306	0.2
71.01381	0.2
77.03927	0.5
78.93816	0.2
80.05059	2.8
81.05344	0.2
92.05064	0.4
93.03461	0.9
96.04595	0.2
102.54441	0.2
107.03725	0.2
107.05018	0.2
108.04574	0.3
108.08195	1.7
109.02966	0.4
115.86145	0.2
115.92155	0.2
117.91901	0.9
119.04998	1.0
120.04547	1.2
120.05363	6.0
120.06239	0.4
121.02954	11.7
121.05323	3.7
123.04521	0.3
124.03996	0.5
134.06148	0.3
135.03224	0.3
135.04495	0.3
136.04095	1.9
136.07680	13.7
137.02403	0.4
137.04845	2.4
137.08002	0.5
147.04500	0.7
149.04819	5.3
150.03276	1.1
152.03539	0.7
153.04292	1.6
163.91278	0.3
164.03461	3.4
164.07159	100.0
164.83603	0.6
164.89679	0.3
165.01938	2.1
165.05569	0.7
165.07504	3.6
165.08972	0.5
181.03792	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	164.108
Annotation	Hordenine
Peak:m/z	Relative Intensity
57.47118	0.5
58.69378	0.4
66.03482	1.2
71.51221	0.8
75.00887	0.7
77.03984	0.5
82.77927	0.4
92.05080	0.7
93.03456	1.2
95.03732	0.5
96.04549	0.8
110.84439	0.4
119.05019	1.6
120.04549	0.9
120.05345	7.1
121.02952	13.4
121.05360	0.7
122.03745	5.5
135.06900	100.0
136.04053	0.5
136.07755	4.3
137.02473	0.7
138.43793	0.5
147.04532	2.6
149.08479	2.2
150.03218	72.4
159.39624	0.4
162.09190	0.5
164.04588	0.8
164.07129	1.7
164.10791	66.0
165.01942	3.5
165.04135	0.9
165.05544	12.1
165.11125	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	163.0401
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.74395	0.2
53.93767	0.2
58.99633	0.2
66.90812	0.1
70.66840	0.5
73.63125	0.2
75.27512	0.1
84.50768	0.2
90.01398	0.2
93.03462	1.3
119.05025	100.0
120.05360	2.3
126.20442	0.2
127.21845	0.2
135.04623	0.3
163.04002	10.5
164.04318	0.4
164.92625	0.1
167.74568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66009	0.7
85.78264	0.3
87.06033	0.3
93.03445	1.8
109.66644	0.2
117.03461	0.3
119.05027	100.0
120.05368	2.6
147.04520	0.5
163.04005	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	163.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20948	0.2
56.56578	0.2
64.96523	0.2
70.37917	0.4
70.38281	0.4
87.22622	0.2
87.37521	0.2
92.05067	0.9
93.03458	0.8
94.15587	0.2
106.44032	0.2
119.05029	100.0
120.04537	2.1
120.05374	2.2
136.04095	0.2
161.48447	0.2
163.04013	10.6
164.04506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.3
59.19281	0.7
61.98811	1.4
69.98129	2.8
71.01369	1.0
91.05506	1.3
93.03462	1.9
97.19579	0.7
100.74025	0.7
116.92081	1.0
118.99276	0.9
119.05025	100.0
120.04611	1.0
120.05339	3.7
121.02976	2.3
135.04478	1.2
142.13138	0.7
147.04539	2.1
148.05302	87.9
149.05652	2.8
162.83913	0.8
162.89325	1.2
163.00388	2.1
163.03996	11.8
163.06248	1.3
163.07642	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	161.0245
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
51.90317	0.2
55.01866	0.3
57.03446	1.7
57.51283	0.2
58.00594	0.5
59.01378	8.4
60.01724	0.2
61.98822	0.2
65.00304	0.4
69.03456	0.6
69.66998	0.2
70.17650	0.4
70.18046	0.3
71.01380	6.7
71.05011	0.2
72.88313	0.1
72.99313	1.0
73.02946	6.3
73.03364	0.3
75.00874	0.7
77.03953	0.4
81.03454	1.2
83.01387	2.4
84.02177	0.2
85.02950	11.1
85.72207	0.2
86.46873	0.2
87.00870	1.5
89.02444	2.2
89.03954	0.9
93.03426	0.2
95.01394	0.3
95.05010	0.8
97.02954	0.7
98.19999	0.2
99.00880	0.3
99.04520	0.7
101.02437	1.9
103.04006	0.2
105.03446	0.4
108.55714	0.1
113.02444	2.5
115.03982	0.3
115.92078	2.4
116.92857	0.3
117.03454	2.8
123.04530	3.5
125.02443	0.3
125.09705	0.2
129.01942	0.3
131.02544	0.3
131.03500	5.5
133.02954	14.6
134.03284	0.3
137.71315	0.2
143.03499	0.3
160.84216	0.7
160.89215	0.3
161.02437	100.0
161.04594	4.8
161.89474	0.2
161.91319	0.3
162.02817	3.5
170.97778	0.2
181.75876	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	161.0819
Annotation	D-Cymarose
Peak:m/z	Relative Intensity
50.44196	0.8
57.22111	0.7
57.37041	0.7
71.01377	10.4
71.05018	23.0
71.05415	1.2
71.13175	1.5
73.02948	1.8
85.02944	2.5
87.04514	17.2
99.04516	69.8
100.04852	2.3
101.06105	0.9
115.04008	47.6
115.07640	11.2
117.05579	29.9
161.08185	100.0
162.08453	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	160.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03355	1.2
57.03655	0.6
58.00511	0.4
59.01283	6.8
59.01620	1.4
61.98759	0.5
69.03400	0.4
71.01293	6.7
71.52047	0.5
72.99246	1.0
73.02855	8.5
73.03305	0.7
75.00813	0.7
80.56554	0.3
81.03383	1.3
83.01379	2.4
85.02946	10.2
85.03407	0.5
87.00793	1.1
88.03989	0.4
89.02442	2.3
95.01324	0.6
97.02924	0.8
99.04462	0.9
101.02450	2.0
107.90603	0.4
113.02457	2.2
116.05064	9.4
116.91668	0.4
117.05424	1.0
119.08659	0.5
125.02439	0.4
125.55042	0.4
130.03275	0.6
130.04242	10.7
131.03511	5.2
131.04486	0.7
133.02937	0.5
135.04518	0.6
144.05820	3.9
145.06589	100.0
146.06927	4.8
158.06947	1.9
159.08162	0.7
160.04056	1.1
160.08932	73.2
161.02452	2.8
161.04572	5.2
161.05963	0.7
161.09703	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	159.1026
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
50.76056	0.4
53.05314	0.4
54.53619	0.4
59.01373	1.6
69.51041	2.9
71.01376	2.0
73.02950	3.3
83.01380	0.5
85.02949	0.6
87.00871	1.5
97.06580	0.8
99.00889	0.7
99.92606	0.5
101.02443	1.3
111.00890	1.1
111.08161	0.7
113.02463	0.5
113.09726	19.5
114.94905	0.6
116.92863	1.6
123.08150	1.0
125.54837	0.3
129.01938	2.1
130.04219	0.9
138.60983	0.4
139.12051	0.4
141.09212	1.4
143.04991	1.0
144.05812	1.6
145.06598	9.0
157.06587	3.0
157.08678	1.3
159.03024	2.5
159.08264	17.7
159.10258	100.0
160.03993	0.9
160.08881	6.4
160.10583	3.5
175.17390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69434	0.4
55.01813	0.6
57.03382	1.3
59.01309	8.7
59.01630	0.9
61.98792	0.4
62.95262	0.4
69.03411	0.7
71.01381	6.4
72.99241	0.5
73.02946	7.2
75.00809	0.6
81.03403	1.1
83.01382	2.4
85.02952	10.9
87.00822	1.4
89.02438	2.7
95.01318	0.4
97.02915	1.3
98.20644	1.4
99.00838	0.5
99.04474	1.0
99.20737	0.4
101.02431	2.0
108.38812	0.4
113.02431	2.4
113.83971	0.4
116.05023	0.5
130.04254	12.0
131.03485	4.9
131.04472	1.0
133.02960	0.6
139.14957	0.4
144.05872	3.4
145.06589	100.0
146.06943	4.4
158.06915	1.9
160.08929	73.0
161.02440	2.3
161.04567	5.6
161.05927	0.7
161.08185	0.5
161.09302	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	157.0871
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
55.01863	0.9
59.01382	20.4
65.47765	0.8
67.05530	2.2
68.99821	0.9
69.03471	1.0
69.97930	2.6
69.98338	1.5
71.01382	11.9
83.05048	1.3
84.99308	3.9
87.00892	1.3
93.07105	1.5
93.25002	0.8
93.25703	0.7
96.00380	0.8
98.20583	1.0
99.00898	1.3
109.06590	7.7
111.08161	3.8
113.09704	1.2
115.00378	1.2
121.06580	2.5
126.51176	0.8
127.00363	5.1
127.07650	38.5
128.07968	1.3
132.37695	0.8
139.06631	1.8
139.07652	25.5
155.07126	1.2
157.01418	1.2
157.08696	100.0
157.12303	3.0
158.03583	2.0
158.08989	3.2
177.07216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77584	0.2
57.03457	0.5
59.01380	100.0
60.01714	0.8
61.98830	10.5
68.99821	1.7
69.03463	1.0
70.35525	0.7
71.01388	2.1
72.99316	0.3
73.02940	0.3
77.94131	0.2
81.03453	0.3
83.01396	0.6
83.05044	0.5
84.99303	0.4
85.02955	1.3
86.06116	1.4
87.00868	1.2
95.05016	0.6
96.95993	1.8
96.99345	0.4
97.00451	0.8
97.02983	0.3
97.06612	0.4
98.20661	0.3
98.95633	0.3
99.00887	1.7
99.04539	0.3
109.04062	0.5
111.08167	0.4
112.04040	1.2
113.02463	0.4
113.06097	0.7
113.09727	0.5
114.03107	0.9
114.05648	0.4
114.92071	0.9
115.00399	0.7
115.05958	0.6
116.07185	1.1
124.98815	0.5
127.00385	4.5
128.67766	0.2
131.02013	0.6
139.00417	0.3
139.03891	0.3
139.07703	0.4
142.33537	0.2
156.86595	0.6
156.90250	2.7
156.91464	0.4
156.93114	0.3
157.01439	1.4
157.05133	0.9
157.07655	0.7
157.08746	3.5
157.12315	2.3
157.13380	0.3
157.86345	0.9
157.90820	4.2
158.04695	0.4
158.08131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1079
Annotation	60046-50-6
Peak:m/z	Relative Intensity
55.01879	0.4
69.50890	0.6
69.51292	2.3
73.02953	6.1
83.01389	3.7
85.02969	0.7
98.20546	0.6
111.00895	0.8
111.08173	0.5
114.05611	1.6
133.20128	0.3
135.08052	0.5
137.09740	4.4
140.01152	1.0
154.99971	0.6
155.03560	0.8
155.10780	100.0
156.11108	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1285
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
56.71565	0.5
66.03463	0.8
66.84739	0.5
67.37870	0.4
69.03452	1.0
69.72489	3.0
71.05000	1.3
81.03456	0.8
82.41480	0.5
96.27803	0.5
97.06585	12.3
99.08144	3.3
108.02177	11.4
109.02962	13.9
109.06635	1.2
110.00089	1.7
112.97930	0.5
115.72992	0.6
118.89989	0.9
123.04526	2.1
124.03992	1.2
125.02430	1.8
135.04475	0.5
137.09731	1.2
137.99583	2.0
148.91095	0.5
151.00323	0.6
151.11282	1.0
153.01947	7.1
153.05617	1.0
153.11505	0.7
153.12846	38.4
153.86865	100.0
154.02432	0.5
154.05109	0.5
154.13179	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	155.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.8
57.03445	2.5
58.00601	5.7
59.01381	30.8
65.03970	1.1
67.01891	5.0
68.99816	1.8
69.03440	3.1
69.71209	1.2
70.02958	1.6
70.69386	1.8
70.69705	1.5
71.01373	6.9
72.02171	3.6
72.99294	3.7
73.02973	1.2
78.95902	1.7
81.03460	3.6
83.01386	26.4
83.05025	10.6
84.00910	1.8
84.02171	2.6
84.04548	16.9
85.02963	5.2
86.00108	6.8
86.64343	1.0
90.37190	1.2
93.03448	5.9
94.02983	7.1
95.01403	3.0
95.05031	22.6
95.05623	1.9
96.00928	3.6
96.96046	2.3
97.01717	6.9
97.02938	1.7
97.06593	7.7
99.00918	1.6
99.04492	2.3
99.08152	19.3
107.05026	43.1
108.02173	3.0
109.02935	2.8
109.06583	4.6
111.00890	11.2
111.04525	12.5
111.08170	5.6
112.04048	100.0
113.02450	6.0
113.06089	7.9
114.05607	38.4
123.00906	2.2
123.04509	1.8
125.04469	1.2
125.06075	15.5
127.00365	2.9
127.01800	1.2
127.07666	15.5
130.37177	1.2
137.02438	3.7
137.06075	5.4
140.01163	11.8
153.01924	1.3
154.86916	1.9
154.99875	5.3
155.03563	9.3
155.07152	13.8
155.08278	2.8
155.10742	2.0
155.86583	12.3
156.06648	23.7
156.07808	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	149.0609
Annotation	p-Hydroxypropiophenone
Peak:m/z	Relative Intensity
59.01374	3.5
63.50171	0.8
69.61970	1.8
69.62375	4.1
71.01375	6.1
72.99319	1.1
73.02940	1.9
77.21316	0.8
82.15658	0.8
84.86005	1.0
87.00850	2.0
89.02438	11.4
93.03442	1.9
94.99329	4.2
95.05018	1.2
98.20623	1.6
103.03973	0.8
104.97739	2.4
105.03448	1.0
106.04248	10.5
107.05016	2.2
108.02156	4.0
121.02964	9.9
121.06607	1.1
123.04504	2.6
131.03448	1.0
134.03740	100.0
134.72829	0.9
135.04068	4.8
138.03218	2.0
148.96719	1.8
149.02475	7.6
149.04599	5.8
149.06076	53.9
150.00188	2.1
150.06462	2.1
155.28325	1.0
158.72414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0609
Annotation	p-Hydroxypropiophenone
Peak:m/z	Relative Intensity
59.01382	3.8
63.94090	0.8
63.99244	0.8
69.33050	3.7
69.33454	2.2
71.01377	6.2
72.99319	1.1
73.02967	2.6
87.00936	1.7
89.02443	11.3
93.03484	2.5
94.99318	3.1
95.05049	1.8
98.20676	1.5
103.04021	1.1
105.03461	0.9
106.04247	8.1
107.05067	1.2
108.02177	4.9
121.02960	10.4
121.06587	1.8
122.06087	0.8
123.04504	1.9
131.03513	1.3
131.04941	0.7
134.03741	100.0
135.04097	4.2
138.03226	2.0
148.96710	2.2
149.02484	8.8
149.04601	6.0
149.06071	56.6
150.00180	3.2
150.06422	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	150.0422
Annotation	Guanine
Peak:m/z	Relative Intensity
51.06457	0.4
59.01376	2.3
65.99844	0.5
66.00967	6.6
70.41354	0.3
71.01380	3.9
71.50357	0.7
73.02945	1.0
78.00969	2.3
80.02533	0.4
82.04106	1.2
87.00926	0.4
89.02441	2.0
90.00972	1.6
90.02791	0.9
101.02419	1.8
105.02079	0.4
106.19780	0.4
107.03632	7.7
107.05076	0.5
108.02040	22.6
108.93690	0.4
109.39646	0.3
122.06127	1.6
123.04507	1.0
126.03098	9.3
133.01561	100.0
134.01993	1.8
136.01646	4.6
148.48102	0.4
150.04208	40.9
150.05569	3.9
151.02628	16.2
151.03958	1.8
151.06012	2.5
160.57172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	DL-Xylose
Peak:m/z	Relative Intensity
55.01886	2.8
57.30608	1.2
59.01381	9.8
59.72052	1.1
69.03442	3.6
69.92310	4.5
69.92733	2.0
71.01379	33.1
73.02945	26.2
73.07700	1.2
74.92754	1.1
75.00880	4.9
77.42912	1.1
85.02956	2.7
87.00887	13.6
89.02445	100.0
90.02776	1.6
101.02423	2.6
103.03378	1.1
103.04007	6.8
111.73141	1.2
121.03024	2.0
131.03503	16.4
133.01556	3.8
135.63741	1.2
148.86348	2.8
149.03363	2.9
149.04555	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0608
Annotation	Phenylpropanoate
Peak:m/z	Relative Intensity
59.01377	2.6
60.51122	1.4
62.85744	1.2
71.01382	2.5
71.52034	1.5
73.02955	1.7
84.09763	1.2
89.02467	7.0
93.03500	1.6
96.03943	1.4
103.05522	2.4
106.04269	10.2
107.05036	2.1
108.02174	4.3
121.02968	7.1
123.04449	1.4
130.04248	17.1
131.05032	31.5
131.66643	1.6
133.73050	1.5
134.03746	100.0
135.04091	5.6
138.03229	2.1
149.02443	6.5
149.04652	2.4
149.06084	56.1
150.06517	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	147.0452
Annotation	4-Hydroxycinnamyl aldehyde
Peak:m/z	Relative Intensity
59.01373	2.1
61.98829	6.6
69.24805	3.1
71.01379	3.0
75.00877	0.6
84.99304	0.8
85.02938	0.9
87.00838	0.5
89.02457	0.5
93.03446	0.9
98.19855	0.6
99.00878	2.1
119.05021	6.3
120.05330	0.4
129.03470	3.0
147.04517	100.0
148.04887	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	148.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	2.0
62.58707	1.6
65.05629	1.6
66.47417	1.6
68.55935	1.6
69.97832	8.1
71.01375	5.2
71.86823	2.1
73.34362	1.7
87.00853	1.7
89.02433	7.5
91.05525	1.9
93.03458	2.8
105.03438	2.7
106.04253	3.8
119.05051	4.3
121.02959	26.5
130.04216	7.2
131.05032	8.7
134.03738	34.6
147.04520	22.8
148.05302	100.0
149.02461	4.4
149.04626	4.2
149.06039	21.5
158.71445	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	148.0768
Annotation	Isogentialutine
Peak:m/z	Relative Intensity
53.14379	2.0
59.01369	7.8
66.03471	2.6
70.26267	7.3
71.01379	8.1
72.04475	2.2
73.02937	3.7
87.00875	3.0
89.02449	16.8
93.03468	4.6
94.99303	4.6
95.03769	6.4
105.03439	2.5
108.04627	3.0
119.19766	2.1
120.04545	6.8
121.02953	25.3
123.87877	1.9
127.74836	2.0
132.04555	9.1
133.05345	2.5
134.03745	7.0
148.04016	13.3
148.07693	100.0
149.02475	16.4
149.04523	7.5
149.06128	16.0
149.08049	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	145.0619
Annotation	glutamide
Peak:m/z	Relative Intensity
51.84101	2.7
54.58572	2.4
55.21414	2.5
58.02980	7.1
61.98820	3.4
67.03030	4.6
67.84483	2.9
68.27979	2.7
70.97090	5.8
71.01387	3.4
72.00919	6.8
72.99283	3.5
74.02472	15.5
82.02988	6.0
84.04565	18.3
93.26210	2.5
97.04063	4.4
98.19707	2.6
101.07220	13.5
102.05605	100.0
106.66681	2.7
107.02481	3.4
109.04076	18.3
125.03542	8.7
127.05136	59.9
128.03534	65.8
144.86969	38.7
145.06186	49.7
146.04593	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	145.087
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
53.67158	1.3
59.02257	0.9
59.31686	0.9
70.89153	1.9
87.40577	1.1
90.53060	0.9
97.06615	1.4
99.08157	100.0
100.08506	2.2
107.62931	0.9
116.95940	0.8
143.07161	1.6
145.05005	1.2
145.08707	53.5
146.02452	1.1
146.09041	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	145.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95050	1.9
55.70164	2.0
57.03455	8.5
59.01380	2.6
65.80031	1.6
66.99693	1.6
69.70547	9.2
71.01394	8.8
73.02953	3.6
74.02479	2.2
79.62775	1.7
83.01379	3.5
84.04527	2.6
87.00880	5.1
87.76447	1.6
101.02435	32.9
102.05603	9.5
115.00370	4.7
116.45844	1.5
123.73118	1.5
127.00414	3.0
127.05170	3.6
128.03535	4.0
144.87088	2.0
144.96481	100.0
145.01419	6.2
145.05157	2.4
145.06200	4.1
146.02481	2.5
146.04582	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	145.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95050	1.9
55.70164	2.0
57.03455	8.5
59.01380	2.6
65.80031	1.6
66.99693	1.6
69.70547	9.2
71.01394	8.8
73.02953	3.6
74.02479	2.2
79.62775	1.7
83.01379	3.5
84.04527	2.6
87.00880	5.1
87.76447	1.6
101.02435	32.9
102.05603	9.5
115.00370	4.7
116.45844	1.5
123.73118	1.5
127.00414	3.0
127.05170	3.6
128.03535	4.0
144.87088	2.0
144.96481	100.0
145.01419	6.2
145.05157	2.4
145.06200	4.1
146.02481	2.5
146.04582	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	143.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.4
59.01392	4.6
64.07560	3.0
66.04607	2.6
69.03440	9.8
71.01373	29.4
71.05003	9.6
71.50262	4.3
73.02940	4.4
81.03443	11.1
83.05018	20.3
85.02934	17.7
87.00896	4.2
97.02961	5.9
97.06579	27.2
99.00848	5.3
99.04501	8.7
99.08157	100.0
100.08506	4.0
102.74480	3.2
111.00880	6.3
113.02447	3.7
124.98804	2.9
125.02443	9.3
125.06065	26.7
135.82706	3.2
143.03510	13.8
143.07143	36.6
143.10797	9.1
144.04552	64.1
144.06641	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	143.0714
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
51.29169	3.0
57.03442	7.3
59.34420	2.7
60.72269	2.7
61.42221	2.6
69.03458	7.5
69.40382	20.3
71.01382	21.4
71.05023	8.6
73.32290	2.6
73.64662	2.5
81.03436	5.7
83.01388	4.0
83.05029	22.4
85.02959	11.5
85.07507	2.7
87.00875	4.4
97.02954	6.9
97.06582	18.1
99.04492	6.4
99.08164	100.0
100.08519	3.7
125.02444	7.2
125.06077	22.6
143.03532	5.3
143.07133	27.4
144.04541	33.7
144.06557	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	138.0561
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
66.03495	0.9
70.85455	1.5
70.85761	1.0
72.61468	0.8
83.01384	1.3
93.03474	1.7
94.03799	3.9
94.98146	1.0
95.05025	2.3
108.02160	3.1
111.00894	4.5
111.90934	0.9
120.04562	1.6
123.03268	68.7
124.03579	3.2
137.89201	1.8
138.01942	5.7
138.05600	100.0
139.00354	2.7
139.04033	1.6
139.05954	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	138.0561
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
50.87026	1.2
54.71008	1.2
55.01891	1.6
61.57815	1.1
66.03482	1.7
67.01890	2.6
69.48870	8.0
79.95717	1.7
83.01384	2.6
93.03459	3.4
94.02995	1.8
94.03172	1.9
94.03801	12.9
94.98071	3.5
95.05024	3.3
98.20716	2.2
108.02155	6.7
111.00890	9.4
122.02409	1.4
123.03267	79.0
124.01691	1.9
124.03611	2.4
136.25430	1.4
137.89175	3.4
138.01933	13.5
138.02812	4.6
138.05602	100.0
139.00359	7.6
139.04036	2.9
139.05942	5.4
150.25693	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0971
Annotation	Crocusatin E
Peak:m/z	Relative Intensity
53.26413	2.2
57.03447	2.6
57.68356	1.9
69.21341	20.0
69.21634	1.7
93.03469	20.3
95.08649	5.7
109.02950	2.1
121.06590	100.0
122.06922	5.4
135.06438	1.8
137.02438	14.2
137.09720	99.2
138.01932	3.7
138.10039	6.9
139.39960	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	137.0972
Annotation	Isophorone
Peak:m/z	Relative Intensity
57.03437	1.0
69.21912	8.1
70.04000	0.8
71.48390	0.8
71.55116	0.9
81.03466	2.9
93.03448	6.4
95.08672	4.9
121.06596	82.1
122.06933	2.9
137.02437	2.7
137.09723	100.0
138.10051	5.7
140.03471	0.9
149.77467	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
56.94467	0.3
71.51399	0.6
94.03775	1.1
108.02175	50.7
109.02502	2.1
111.00898	1.6
111.23053	0.4
122.06895	0.5
123.03289	0.5
132.52599	0.4
138.01967	100.0
138.10020	1.0
139.00449	0.7
139.02342	4.2
139.03993	0.4
140.15990	0.4
142.86705	0.3
158.22348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28822	0.6
54.63962	0.5
57.04174	0.5
59.01371	1.9
60.37761	0.4
63.24919	0.5
65.01438	0.6
70.06399	0.5
70.66721	0.9
70.67059	0.6
71.01380	60.3
72.01730	1.0
72.99312	4.6
73.88110	0.5
82.59262	0.5
87.00872	26.3
87.04518	5.0
89.02435	6.5
92.02544	5.9
107.03634	24.2
108.07164	0.5
115.00370	33.9
116.00707	1.4
122.69781	0.6
125.14807	0.5
132.86806	3.8
133.01428	9.4
133.05066	33.0
134.04720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0375
Annotation	4-Methylbenzoate
Peak:m/z	Relative Intensity
56.59402	0.7
59.01378	1.9
69.55851	3.9
71.01389	3.8
72.01715	6.1
72.99292	1.3
73.02949	0.9
73.99675	0.8
75.00873	2.7
79.47108	0.7
85.02946	1.5
91.05524	1.1
92.02570	2.4
93.03458	17.2
95.01382	1.2
106.04251	2.6
107.03629	6.8
107.05045	4.0
108.02177	6.5
116.00717	11.8
117.00794	1.9
125.49222	0.7
134.01775	2.5
134.03731	25.1
134.04741	28.6
134.86533	9.9
134.89493	6.3
135.04524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0473
Annotation	Adenine
Peak:m/z	Relative Intensity
51.95496	0.3
60.02501	0.3
65.01434	0.8
68.02534	0.7
71.12048	0.8
80.02554	0.4
92.02541	5.9
99.41019	0.3
107.03634	25.1
108.03984	0.5
116.00721	0.8
125.24699	0.4
134.04724	100.0
134.89484	1.3
135.04225	0.6
135.05249	2.3
136.44418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01354	1.4
69.10080	0.9
69.27433	6.1
69.27849	2.6
71.01381	69.1
72.01709	1.2
72.99306	16.6
87.00867	2.4
89.02429	6.4
104.90461	0.9
115.00372	100.0
116.00704	2.9
117.11207	1.1
133.01427	29.9
134.04710	1.4
137.71205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	(R)-Malate
Peak:m/z	Relative Intensity
55.53560	1.2
59.01387	1.7
59.05626	1.0
65.13828	1.0
69.93275	4.6
71.01384	57.9
72.01730	1.4
72.99313	15.5
87.00872	1.7
89.02448	5.3
92.02516	6.4
95.99429	1.1
107.03636	27.0
107.14079	1.1
115.00373	87.4
116.00741	2.2
133.01427	27.0
133.05028	2.5
134.04729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57276	1.0
59.01363	1.8
60.38391	1.0
61.40779	0.9
69.77567	5.5
71.01382	66.4
72.99310	15.9
87.00849	2.2
89.02433	6.8
109.86675	1.0
115.00372	100.0
116.00676	3.1
127.35339	1.1
131.15337	1.0
133.00459	2.3
133.01425	28.4
133.05031	1.3
134.01833	1.0
134.04747	1.7
143.44301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0714
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
51.50990	0.9
53.91233	0.9
57.03443	1.9
59.01374	12.3
68.99797	2.3
69.03436	1.3
69.91538	4.2
71.01390	7.8
73.02944	17.7
75.00885	1.6
81.96552	0.9
84.85845	1.0
85.02950	4.3
85.06588	100.0
85.24877	0.8
86.06922	3.1
87.04511	9.5
100.91617	1.0
101.02445	1.8
102.43221	0.9
113.02441	1.7
125.90289	0.9
131.03506	3.9
131.07137	55.4
132.04572	1.2
132.07455	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	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01377	1.7
60.45238	0.8
70.67178	1.4
70.67553	1.7
71.01382	70.0
72.01707	1.6
72.99307	15.0
87.00870	9.0
87.04527	2.6
89.02435	9.6
111.10049	0.7
114.47226	0.9
115.00371	100.0
116.00692	2.9
132.88623	0.8
133.01427	27.5
133.05072	11.2
134.04713	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	129.0559
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
57.31314	10.5
59.46805	10.5
70.92558	14.3
70.92887	17.1
85.02959	25.2
94.60126	12.7
128.90189	19.9
129.05559	100.0
129.72792	9.8
130.08731	34.5
144.67879	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	130.0875
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.68903	0.4
53.79174	0.4
54.28596	0.4
70.32397	1.8
88.04047	0.5
92.74324	0.5
123.64355	0.5
130.08739	100.0
131.09109	3.5
146.75322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0715
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
59.01362	1.3
68.05990	0.9
68.99808	1.3
70.00024	4.2
71.01365	2.2
73.02946	6.9
73.18200	1.1
73.62019	1.1
83.05045	1.1
85.02970	1.8
85.06591	100.0
86.06934	3.0
87.04512	3.0
101.02422	1.0
129.05556	1.2
131.03465	1.4
131.07143	49.3
132.07475	2.2
134.92152	0.9
142.83290	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0715
Annotation	5-Hydroxyhexanoic acid
Peak:m/z	Relative Intensity
59.01378	100.0
60.50826	0.9
69.96439	3.5
71.01367	2.9
71.81409	1.1
73.02946	6.7
73.42577	1.1
85.06579	1.7
85.08728	1.1
87.04504	3.2
98.20596	1.1
131.03418	1.2
131.07121	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	121.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90897	0.7
59.01348	1.0
64.98367	0.6
69.57641	4.9
79.05524	2.0
93.03443	4.5
94.02981	7.9
95.75468	0.7
105.08143	0.8
108.02151	2.4
121.02959	100.0
121.06591	64.4
122.02473	9.1
122.03314	4.3
122.06918	3.0
129.91315	0.7
134.34404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.9
61.64360	6.4
71.01382	11.5
71.52628	6.6
77.71486	5.1
85.02943	16.1
98.02465	6.5
99.00887	8.1
115.93310	5.9
126.90446	100.0
127.00346	33.4
127.03956	19.2
127.07644	49.7
128.03519	46.4
128.07182	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.9
61.64360	6.4
71.01382	11.5
71.52628	6.6
77.71486	5.1
85.02943	16.1
98.02465	6.5
99.00887	8.1
115.93310	5.9
126.90446	100.0
127.00346	33.4
127.03956	19.2
127.07644	49.7
128.03519	46.4
128.07182	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0354
Annotation	Pidolic acid
Peak:m/z	Relative Intensity
54.16941	1.0
57.03439	6.1
66.03474	2.2
67.01900	10.4
68.99821	1.8
70.05535	4.7
71.01384	1.9
72.99327	7.8
82.02988	3.7
83.01318	1.3
84.04555	1.4
85.02950	38.9
98.02493	8.4
99.00882	1.3
101.02438	1.9
107.20792	1.0
110.02459	5.7
128.03543	100.0
128.07172	9.7
128.89226	17.5
129.01953	7.0
129.03885	2.5
129.05598	3.9
129.59232	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27990	0.7
59.01382	57.1
59.84986	0.7
60.01705	1.1
61.28920	0.7
67.79230	0.7
70.25241	1.8
70.25597	1.5
71.01383	1.4
71.05032	4.9
73.02945	77.0
74.03247	1.5
94.48502	0.8
99.00883	7.1
99.92586	30.2
100.92601	2.1
116.92862	100.0
117.01946	14.4
117.03502	0.7
117.05571	15.0
117.92881	10.2
118.03020	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	120.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51717	0.5
59.01368	0.9
61.87336	0.6
61.98858	0.5
66.03508	0.7
70.09416	1.1
70.09801	1.1
71.01380	1.5
79.77357	0.5
81.07829	0.6
93.03470	3.4
94.02979	6.0
98.19981	1.0
108.02178	2.3
120.99657	7.9
121.02959	100.0
122.02480	7.4
122.03318	4.8
127.36613	0.6
136.54407	0.5
137.72658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50664	0.9
61.81851	0.9
61.98829	33.6
64.94713	1.2
66.03474	1.3
71.01382	2.8
71.49681	1.3
86.91985	1.2
93.03457	3.0
94.02972	9.7
107.41563	1.1
108.02177	3.3
112.47657	1.2
120.99660	19.6
121.02955	100.0
122.02470	9.1
122.03304	5.4
122.06081	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0089
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
67.01889	67.0
68.02251	2.2
69.47818	10.6
72.50799	1.5
73.87077	1.4
78.95904	5.2
83.01387	4.5
102.04687	1.5
110.68518	1.6
111.00883	100.0
112.01202	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	113.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58241	0.9
55.01864	1.9
55.73247	1.0
57.03447	5.8
64.16479	1.0
68.99570	100.0
69.03448	1.5
69.99918	1.3
70.34452	3.5
71.86839	1.2
84.02128	1.3
85.02952	14.4
112.98558	3.7
113.02449	6.2
114.05598	3.1
129.78683	1.0
131.08226	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
63.93101	0.6
70.44805	1.7
70.45183	0.5
71.68001	0.5
73.02946	100.0
74.03274	2.3
83.10845	0.5
90.73856	0.4
96.40474	0.4
99.00880	8.4
113.24731	0.4
116.92838	0.7
117.01939	17.7
118.02295	0.6
128.68857	0.5
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	Succinic acid
Peak:m/z	Relative Intensity
52.33396	0.6
54.27564	0.4
71.50095	0.9
73.02946	100.0
74.03284	1.8
99.00885	7.1
116.92920	0.8
117.01951	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	110.0249
Annotation	Pyrrole-3-carboxylic acid
Peak:m/z	Relative Intensity
50.00330	4.4
55.01880	8.4
66.03487	61.0
67.01890	36.7
67.03792	2.1
68.01444	5.2
69.28720	2.2
71.50291	3.0
73.05875	2.2
78.95905	100.0
83.01383	25.7
110.02481	35.1
110.03300	8.2
110.89913	8.7
110.97575	3.8
111.00887	64.4
111.01746	3.0
111.01997	3.3
129.64233	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	110.0249
Annotation	2,6-Dihydroxypyridine
Peak:m/z	Relative Intensity
50.00329	9.5
66.03486	100.0
67.01884	10.7
67.03824	4.7
68.01398	8.3
70.42597	8.4
70.42986	5.4
78.95904	29.1
110.02473	16.6
111.00892	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0089
Annotation	2-Furoate
Peak:m/z	Relative Intensity
51.68102	2.4
53.00848	2.1
55.01878	12.6
57.07923	2.1
58.65716	2.0
60.55344	2.1
66.65744	2.3
67.01093	2.0
67.01561	4.1
67.01893	41.4
67.03787	2.9
68.01410	2.2
70.85644	5.2
71.01378	3.2
71.87114	2.1
78.95905	100.0
83.01386	45.3
84.01736	2.6
110.89925	9.0
110.97598	5.8
110.98551	4.3
111.00887	78.2
111.02022	9.9
111.02766	2.8
111.04539	3.0
112.01235	2.8
112.04047	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	1058.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
75.88019	0.2
80.05049	0.4
84.57954	0.2
94.06621	1.5
102.03488	0.3
104.05077	0.9
106.06618	1.0
107.03767	4.1
108.04562	0.8
116.05129	0.2
120.04543	0.8
121.05335	0.4
122.06124	26.3
124.07693	1.0
132.04552	5.2
134.06113	4.4
135.06911	0.2
136.03998	0.4
139.02762	1.9
144.04578	0.8
146.06081	0.4
147.03232	0.9
148.04092	0.5
149.04865	0.4
150.05605	1.4
152.07167	52.7
153.07515	1.0
158.02484	1.5
160.04036	3.8
162.05627	1.0
164.03500	0.5
166.05083	0.7
172.03954	0.6
174.05611	0.8
176.03543	2.0
176.07178	0.6
190.05084	4.9
191.05804	0.3
192.06662	0.4
196.11296	0.5
199.08734	0.3
209.07230	0.3
211.12352	1.4
212.10710	0.4
215.11852	1.5
220.10062	0.2
223.08722	3.8
224.09479	3.4
225.10210	0.4
226.07298	0.4
227.03484	1.8
227.08255	0.8
229.05002	0.7
235.08754	0.3
236.09467	0.8
237.10329	1.0
238.08939	0.3
238.11072	1.1
239.08101	0.6
239.11887	13.5
240.10349	2.3
240.12346	0.3
241.09781	2.3
241.14378	0.9
249.06703	0.6
250.07454	0.5
251.08176	0.8
251.11879	3.1
252.08801	0.3
252.10425	0.4
253.06163	3.4
253.09773	0.7
254.06973	0.5
255.03018	4.1
255.07599	1.7
255.11348	1.6
256.03461	0.4
256.08249	0.6
257.04596	0.4
265.06104	0.3
265.09796	1.7
266.10449	0.3
267.07779	3.2
267.10892	1.9
268.08472	3.4
271.10803	0.9
277.09808	0.8
279.07697	1.2
279.10855	0.4
280.08536	2.3
281.09280	1.4
281.12680	0.4
282.10141	0.6
283.10861	48.7
284.03250	6.8
284.11218	2.6
285.04016	6.0
286.04288	0.3
293.09384	0.4
295.10858	10.8
296.11255	0.9
297.12512	0.5
305.09134	0.3
307.10892	0.9
307.14481	0.2
309.08853	0.4
309.12366	0.6
311.10373	0.5
312.07883	0.4
312.11157	3.5
315.13571	0.6
323.10278	2.1
324.11166	0.5
325.11926	0.7
327.09769	0.6
327.13458	0.6
339.09760	0.5
341.11301	2.1
355.12927	1.1
356.13882	0.3
376.20288	0.3
402.18091	0.7
404.19916	1.5
420.19522	5.0
421.19589	0.4
428.15906	0.5
430.17639	1.6
432.16354	0.3
446.17130	0.8
448.18759	21.9
449.19226	1.7
455.20221	0.2
456.15329	0.6
464.17700	1.1
474.16788	0.8
480.21671	0.4
489.10370	9.2
490.10828	0.8
492.17737	100.0
493.18027	8.6
506.19025	0.6
524.20325	81.8
525.20593	7.8
593.02856	0.3
868.62622	0.3
871.04602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02472	8.7
81.04556	0.6
82.02981	1.0
84.04549	0.5
86.02474	4.1
86.06104	0.8
86.99111	1.6
87.05650	1.8
88.04045	0.5
90.00174	0.5
96.04525	0.5
97.04074	1.3
98.19940	0.4
99.05649	9.6
100.00388	0.5
101.02406	0.5
101.07191	1.3
102.05618	1.7
109.04077	1.9
109.07693	0.5
110.25896	0.4
111.05595	1.1
111.62821	0.5
112.04061	0.9
113.03545	0.7
113.07234	0.5
116.01770	0.7
116.92828	1.4
123.05659	1.3
124.04048	0.9
124.07668	0.4
125.03549	1.3
126.05604	0.5
127.05128	2.4
128.03548	26.9
134.60837	0.4
135.05681	3.2
137.07175	0.6
141.06699	2.4
143.04630	37.7
144.04872	0.5
145.06204	3.0
146.04610	3.4
153.06708	2.8
160.00737	9.2
166.09869	1.3
167.04596	2.9
167.08287	1.5
170.03328	0.5
171.04106	0.7
171.07770	1.1
176.99873	0.4
177.03418	3.2
179.04613	9.4
181.06189	1.0
184.10963	0.5
185.05676	1.6
192.07817	1.1
197.05666	1.6
210.08823	8.3
242.07805	0.9
249.41812	0.4
254.07823	10.8
272.08875	20.5
273.09589	0.7
277.21677	0.9
288.06607	7.0
304.06085	3.7
306.07657	100.0
307.07974	2.3
314.08063	0.6
332.09207	6.0
846.94122	0.6
1046.51355	5.7
1047.51428	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
72.98647	0.2
72.99297	1.2
73.02930	0.2
75.00871	17.7
83.01385	0.6
84.02190	0.2
85.02946	2.7
87.00876	4.3
87.04525	0.2
89.02445	1.3
93.03455	0.4
97.02954	0.4
99.00876	6.9
101.02436	0.6
103.00372	0.9
107.01332	0.1
111.00897	0.7
113.02454	0.3
117.01920	0.3
117.03477	0.9
119.05023	14.2
120.05368	0.4
121.03017	0.2
129.01944	18.9
130.02324	0.2
131.03532	1.0
132.05795	0.3
133.06572	1.0
134.82964	0.2
141.01942	0.4
145.02946	4.8
151.00407	0.4
159.03015	2.2
161.06113	1.5
163.04004	18.5
164.04353	0.4
177.04045	9.3
177.05444	0.3
183.04529	0.4
187.04021	0.3
195.05089	49.9
196.05373	0.8
203.07149	0.2
205.05006	1.5
211.03899	0.4
213.05640	0.2
227.03488	2.0
239.03470	0.2
255.02977	7.9
256.03525	0.7
265.07196	0.9
269.04510	0.2
270.87692	0.2
283.02463	14.4
284.03183	4.0
285.04028	11.5
286.04361	0.5
297.04083	0.4
299.05719	0.2
307.06229	0.2
323.07602	0.8
326.04437	0.3
327.05002	0.5
339.07037	0.3
340.07599	0.3
341.08743	100.0
342.09079	3.2
446.08606	2.8
447.09082	1.1
489.10352	7.4
490.10751	1.0
531.11554	1.1
580.04822	0.2
651.15631	16.4
652.15997	1.8
653.16479	0.6
989.41528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02931	1.1
74.02475	8.9
81.03464	1.4
82.02991	3.7
83.01376	1.0
85.02924	1.0
86.02480	4.6
86.99069	1.0
87.00873	2.1
87.05659	1.3
89.02464	3.7
97.02956	4.2
97.04110	1.1
97.06580	0.8
99.05641	8.2
100.04047	3.4
101.02450	4.3
102.01985	5.5
102.05602	1.0
108.04573	4.4
109.02953	1.0
109.04087	1.6
110.02480	1.2
111.04458	0.9
112.04008	0.9
113.02435	3.2
116.92851	2.3
119.03517	1.3
123.05617	1.2
124.04063	2.0
125.02430	2.0
125.17052	0.6
127.05121	1.8
128.03543	21.6
135.05659	2.1
136.01775	0.8
136.04047	13.3
137.07161	0.9
138.05615	0.9
139.02747	1.1
139.08693	0.9
141.06685	1.3
143.03677	1.0
143.04613	29.0
144.03018	13.6
145.06207	1.4
146.04617	2.5
152.03554	4.9
153.06671	1.3
154.05106	4.9
154.06163	0.8
160.00742	8.2
161.04555	1.3
164.03604	1.3
166.09863	1.5
167.04642	1.9
167.08276	1.8
170.04578	2.0
171.10272	18.9
177.03381	2.9
179.04533	6.5
181.06168	0.8
182.04584	7.3
182.17093	0.7
185.05634	1.8
192.07793	0.7
197.05673	0.8
200.05594	2.2
207.10396	0.9
209.11810	2.6
210.08842	6.0
235.08192	1.9
243.95784	0.8
254.07854	7.1
272.08868	12.5
277.21719	17.0
278.21960	1.0
288.06552	5.9
306.07645	100.0
307.07901	3.3
341.23248	2.9
342.23828	1.5
379.12537	4.9
397.13492	12.8
415.14511	2.2
487.73413	0.7
537.11041	0.9
545.39941	0.8
551.23712	2.7
559.34210	0.7
569.24658	1.3
644.42554	0.7
657.35364	1.4
675.35852	2.0
709.30518	0.9
829.45233	1.1
964.47192	1.0
1012.52313	1.1
1030.51807	10.2
1031.53210	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	1019.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51753	0.5
71.52113	0.3
72.97105	0.3
83.05030	1.1
83.83135	0.3
94.02987	2.0
94.06603	0.3
95.05033	0.6
97.06586	0.5
98.02490	0.4
107.03769	0.3
108.04568	2.4
120.04475	0.4
122.06125	7.9
124.04055	1.1
132.04568	0.5
134.06120	1.4
136.04065	3.4
136.07674	7.7
137.09709	0.7
138.05617	1.4
148.03967	0.8
149.09650	0.3
150.05603	7.7
152.07162	3.2
163.11273	1.0
171.06746	0.4
172.07657	0.3
174.09221	0.9
175.05098	0.4
176.03551	0.7
179.14330	0.4
185.09764	0.5
186.09261	3.0
188.07106	0.4
188.10840	0.7
190.05113	0.7
195.13857	3.2
201.06491	2.1
202.07396	1.1
202.08975	0.8
202.12373	1.3
212.10822	1.0
214.07489	1.1
215.08182	1.9
216.08681	0.3
223.13399	1.9
228.10342	3.3
229.09801	12.8
230.11975	8.1
231.11514	0.8
239.08231	0.7
239.12836	1.0
240.09058	0.6
241.14455	12.6
242.14723	0.4
243.07835	0.4
244.08597	0.8
245.09315	4.5
245.12903	0.9
255.11337	3.2
257.09311	5.8
258.09976	1.3
259.10846	0.5
268.50986	0.3
273.12442	24.5
274.12976	0.7
275.10306	1.5
283.15512	4.3
284.03436	0.4
299.10211	0.6
317.11392	13.8
318.11734	0.5
334.11560	0.5
335.12479	100.0
336.12759	4.8
355.13046	1.9
460.18463	0.6
504.17654	1.1
536.20325	3.5
599.21686	0.6
619.24323	0.4
631.24072	2.5
659.23730	1.4
691.26166	17.7
692.27063	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	10.2
72.99316	1.1
73.02946	17.2
79.81190	0.4
82.02981	0.5
83.01385	8.1
83.05044	0.5
85.02956	4.8
87.00881	1.2
87.04514	3.2
89.02450	0.6
94.02984	26.3
95.01389	0.8
95.03328	0.6
95.05008	0.7
97.02950	1.8
97.06583	0.6
99.00892	1.1
99.04518	0.6
101.02441	79.7
102.02799	0.8
107.05054	0.4
109.06597	1.6
111.08170	0.6
113.02457	2.9
115.03990	2.1
121.06576	0.6
123.04521	0.7
125.02443	6.4
127.07600	0.9
135.08119	0.5
137.06076	1.1
137.09700	1.3
139.07632	1.0
139.11290	27.7
140.11655	0.7
143.03500	6.0
150.13185	0.5
151.11270	2.1
161.04552	0.8
163.11313	2.2
165.09212	2.7
167.10754	1.2
169.12335	6.8
177.12860	0.6
179.10762	4.7
181.12335	13.6
183.10248	44.8
184.10577	1.1
195.10172	0.5
195.12389	0.5
195.13867	3.2
197.11766	4.5
199.13445	1.7
202.29764	0.5
205.12445	0.6
207.10251	1.6
219.14113	0.4
221.11897	0.6
223.13376	0.7
225.11308	34.9
226.11618	0.8
231.10306	1.0
237.11296	0.5
239.12888	2.6
243.12349	45.1
244.12686	1.1
249.11301	2.7
255.12320	0.7
257.13873	1.5
263.12851	1.3
267.12378	5.1
273.13489	0.6
279.12494	0.5
281.13968	2.6
285.13428	14.7
286.13638	0.5
291.12390	2.5
297.13339	1.0
299.14954	1.1
309.13412	2.6
315.14493	3.4
323.14929	0.5
327.14478	15.0
328.14713	0.6
333.13489	0.6
345.15503	6.3
369.15530	1.8
387.16666	6.4
399.16565	2.5
399.75952	0.4
405.17664	9.0
411.16623	1.2
429.17639	12.7
470.20306	4.9
471.19031	1.4
482.20303	16.4
483.20609	1.0
489.19754	31.4
490.19925	1.8
500.21368	100.0
501.21817	6.7
516.20837	71.1
517.21313	4.2
563.96027	0.5
626.08307	0.5
674.87677	0.5
1020.66498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.6496
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52582	0.2
73.02937	0.2
74.80659	0.1
79.29910	0.1
83.05025	4.4
85.06596	0.1
97.06588	3.5
107.05018	0.1
109.06598	0.1
111.08152	0.1
121.06599	0.3
123.08164	0.7
135.08165	0.1
137.09715	1.6
139.11299	0.7
147.08144	0.2
149.09708	1.0
151.11263	0.6
161.09724	0.2
163.11285	6.3
164.11620	0.2
165.12836	1.3
167.14467	0.6
177.12852	1.0
179.10873	0.5
179.14410	3.9
180.14709	0.1
193.12349	0.1
195.13893	19.5
196.14244	0.4
205.12325	0.2
223.13383	15.4
224.13736	0.5
239.12959	0.7
240.13211	0.4
241.14442	100.0
242.14784	2.9
281.13876	0.2
282.14209	0.2
283.15491	57.3
284.15851	2.1
353.40546	0.1
365.15671	0.1
677.29431	0.1
677.49707	0.5
861.94604	0.1
906.36694	0.1
961.65741	0.2
1025.19177	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	1016.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.4
71.52576	0.2
73.02951	1.0
83.01395	0.3
85.02961	0.5
89.02461	0.2
95.01362	0.1
95.05023	0.3
99.04477	0.1
101.02444	0.5
113.02460	0.7
114.90561	0.1
129.05568	0.2
137.06105	0.2
137.09694	0.3
139.11290	17.3
140.11606	0.5
155.10802	0.2
161.04536	0.1
163.11241	1.0
165.09198	0.7
181.12332	9.9
182.12706	0.3
183.10251	23.2
184.10596	0.6
199.13376	3.3
200.13754	0.2
205.12344	0.2
207.10265	0.3
225.11313	8.4
239.12845	0.2
243.12354	100.0
244.12708	3.2
249.11342	0.5
257.13931	0.3
285.13409	2.8
315.14505	0.5
345.15543	1.9
387.16623	0.2
405.17627	44.0
406.17963	2.0
917.85040	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	991.5601
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	2.2
69.07082	0.4
70.04539	0.7
70.26661	0.3
71.01358	0.5
71.05002	0.5
73.02922	2.2
79.05499	1.9
81.03443	0.9
81.07063	2.1
83.08646	0.6
85.02905	3.9
91.03957	2.7
91.05502	1.6
93.07050	2.1
95.04995	0.7
95.08580	1.6
97.02898	3.9
99.04464	0.7
100.13357	0.3
101.02402	1.3
103.03984	0.4
105.07043	0.8
107.08624	1.3
109.02891	0.9
109.10193	0.5
111.37261	0.4
117.07011	0.5
119.08601	0.8
121.10168	0.8
127.03905	1.6
131.08595	0.4
133.10146	0.7
140.15520	0.3
147.07785	0.3
147.11646	0.4
185.04294	0.7
203.05206	0.4
220.89946	0.3
243.08469	1.9
244.12007	0.4
330.02664	0.3
333.20377	1.6
335.25873	0.5
347.09442	2.0
363.09335	0.5
365.10837	0.9
386.42151	0.3
389.23236	0.4
405.13718	5.2
439.19388	0.4
453.21124	0.4
467.39914	0.3
519.29303	5.6
536.20282	0.3
551.28369	3.2
681.34448	5.7
681.44830	0.4
713.33545	2.2
829.50909	1.1
935.24591	0.4
991.56030	100.0
992.55835	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.605
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	7.3
69.07072	21.5
70.02512	0.5
70.10463	1.2
70.10851	1.3
71.04987	5.0
71.08640	1.1
73.02921	2.7
77.03906	1.5
79.05495	62.7
81.03420	9.2
81.07058	78.2
83.04984	7.3
83.08619	12.9
85.02908	10.9
85.06548	3.2
91.03959	5.4
91.05482	53.8
93.07045	67.6
95.04977	9.0
95.08610	55.0
95.09240	1.4
97.02891	8.2
97.06537	9.9
97.10173	9.9
99.04472	1.8
99.08106	1.9
101.02393	0.7
103.05449	1.5
105.04522	2.4
105.07033	41.4
107.04964	5.3
107.08598	42.1
109.02881	2.6
109.06515	6.2
109.10158	32.7
109.10936	0.8
111.04459	1.1
111.07413	0.8
111.08070	4.3
111.11738	1.4
113.05972	0.7
113.09645	1.0
115.05466	1.9
115.07600	0.6
117.07019	16.6
119.06072	1.1
119.08588	31.0
121.06531	3.1
121.10148	28.7
123.08090	3.1
123.11707	6.5
125.09641	7.9
127.03913	5.1
128.06226	1.4
129.05489	1.3
129.07008	6.7
130.07751	0.9
131.04944	0.7
131.08575	24.7
133.06487	1.3
133.10141	26.0
135.08061	4.7
135.11699	18.7
137.09619	4.0
137.13245	1.5
139.11179	1.1
141.06979	2.4
141.38785	0.6
142.07770	1.6
143.08574	7.1
145.04985	2.6
145.06548	0.9
145.10130	22.4
147.08052	1.8
147.11690	14.5
149.09631	9.5
149.13261	10.0
151.11194	1.9
153.09109	0.9
155.08588	2.7
155.10622	1.1
157.10132	5.4
159.08084	1.4
159.10333	0.7
159.11693	14.1
161.09642	1.3
161.13274	8.2
163.06042	1.5
163.11197	4.1
163.14819	3.9
165.12743	1.8
167.08603	0.8
169.10114	3.4
171.11667	5.4
173.04463	3.1
173.09642	1.3
173.11760	3.6
173.13280	9.3
175.11224	1.4
175.14857	2.8
176.14432	0.8
177.12770	2.0
177.16394	1.4
179.14308	1.8
181.10228	0.8
183.11732	3.0
185.13232	4.3
187.11130	0.8
187.14848	3.4
189.11253	3.3
189.12808	1.4
189.16342	0.7
191.14293	1.0
195.11795	1.5
195.13815	2.2
197.13347	2.7
199.11208	0.8
199.14806	2.5
201.16382	2.1
203.14284	0.9
205.12328	0.7
211.14828	1.9
213.16490	1.6
215.17957	1.0
217.15909	1.3
219.17439	1.3
225.16353	0.7
227.12782	10.0
229.14326	17.7
229.19487	1.6
233.15265	0.6
233.22679	0.7
235.16917	0.8
239.18005	3.5
241.10773	0.6
241.19525	1.6
243.21098	3.8
245.13704	0.8
247.20631	1.8
255.15892	1.7
257.19034	6.4
258.14572	0.6
259.20630	3.6
261.22141	12.7
269.17480	13.5
273.18546	1.2
275.20074	25.7
277.21570	2.1
283.18936	1.2
291.19586	1.5
293.21161	2.7
299.23627	0.8
302.04630	0.6
303.15881	0.7
309.20587	4.2
313.21713	1.0
317.24890	2.9
323.27911	0.6
331.22757	2.8
333.24213	2.7
335.25806	100.0
336.26132	1.3
337.27441	1.8
349.23752	30.1
351.25189	3.7
356.78534	0.6
367.24899	2.1
387.25024	0.6
413.21872	1.0
419.24060	0.7
437.34030	1.4
441.60297	0.6
455.35275	0.7
489.35764	19.2
501.35385	0.8
505.35373	1.9
507.36282	1.1
513.39618	1.2
515.37250	9.3
517.40283	1.2
529.38947	45.6
531.40015	0.8
535.41473	1.5
543.40375	3.6
545.38287	0.9
555.40442	1.1
569.42047	19.3
591.43768	1.0
609.45160	50.5
610.45612	0.8
627.46191	14.4
649.39252	0.8
651.45410	0.7
673.42786	2.2
753.49084	1.0
771.49921	2.2
986.56409	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	986.605
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	7.7
69.07067	24.7
69.17682	6.7
69.18100	2.0
71.05000	4.3
73.02907	2.7
77.03935	1.9
78.08099	0.8
79.05494	59.5
79.79893	0.7
81.03429	6.9
81.07056	77.4
83.04979	6.3
83.08623	13.3
85.02909	11.2
85.06535	3.1
85.10151	0.9
91.03957	4.6
91.05479	51.9
93.07044	61.9
95.04965	9.1
95.08607	53.1
97.02891	8.1
97.06534	8.5
97.10168	15.0
99.04430	2.2
99.08087	2.3
101.02393	1.0
103.03863	0.9
103.05472	1.0
105.04524	3.0
105.06305	1.2
105.07030	44.1
107.04964	7.3
107.08593	48.0
109.02863	2.6
109.06516	7.3
109.10152	28.0
109.10713	0.9
111.08072	3.4
113.06000	1.1
115.03822	0.9
115.05438	2.3
116.06293	1.2
117.07024	16.3
119.06102	0.9
119.08576	36.0
121.06506	3.3
121.10141	27.1
123.08063	3.5
123.11687	6.5
125.09623	11.5
127.03928	3.6
128.06195	1.7
129.05524	1.6
129.06966	6.7
130.07784	1.9
131.08571	26.4
133.06465	1.5
133.10135	26.0
135.08051	4.4
135.11687	16.5
137.09622	2.5
137.13246	2.2
141.07001	2.4
142.07736	1.5
143.08536	9.0
145.04956	2.6
145.06496	1.4
145.10132	24.5
147.08014	2.3
147.11693	18.6
149.09613	9.8
149.13260	8.0
150.05489	0.8
151.11182	2.6
153.09045	0.9
155.08569	3.5
155.10657	1.2
157.10147	6.7
158.58405	0.8
159.08066	1.1
159.11697	17.2
161.09630	1.5
161.13268	8.5
163.05995	1.5
163.11162	5.9
163.14825	3.4
165.09142	0.8
165.12779	2.7
167.08586	1.0
169.10132	3.7
171.10240	1.6
171.11700	5.9
173.04411	1.5
173.09692	1.2
173.11757	3.8
173.13271	10.5
175.11227	2.4
175.14815	3.0
177.12733	1.8
177.16280	0.8
179.14339	2.6
181.10136	1.6
181.12399	1.1
183.11751	4.0
185.13274	5.9
187.11198	1.3
187.14825	2.4
189.11227	5.7
189.12764	1.6
195.11673	1.3
197.13281	3.8
199.14807	1.6
201.12782	1.1
201.16353	2.0
203.14253	1.8
205.15988	0.9
211.14851	1.3
213.16470	1.5
215.14359	1.0
215.17900	1.2
219.17455	3.0
223.14886	1.0
225.16580	0.9
227.12785	16.4
229.14326	12.5
229.19521	2.7
239.17970	3.2
241.10693	1.1
241.19655	1.8
243.21074	3.4
245.13887	1.1
247.20746	2.0
257.19006	12.6
259.11758	1.4
259.20639	4.2
261.22125	13.7
267.15936	3.3
269.17435	4.9
273.18478	1.7
275.20074	43.9
277.21558	1.5
285.22089	0.9
293.21161	3.5
309.20688	1.1
317.24832	2.1
321.24396	0.9
331.22690	4.9
333.24197	3.1
335.25797	90.1
336.26245	1.7
337.27435	2.1
349.23721	60.3
351.25510	2.3
367.24841	2.0
389.17892	1.3
431.31161	1.6
487.34103	0.9
489.35806	14.2
505.35162	4.1
513.39032	1.4
515.37299	3.6
517.40356	2.5
529.38910	9.7
535.41431	1.2
543.40399	1.6
545.38208	1.2
553.41516	1.4
555.40289	2.3
569.42053	5.0
591.43915	2.0
609.45135	100.0
610.45337	2.2
627.46173	21.0
693.47089	1.0
771.49603	1.9
795.53333	0.9
986.56793	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	984.5893
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	6.9
69.07072	19.3
69.07416	1.0
71.04958	2.2
73.02900	1.1
77.03896	0.5
79.05495	29.8
79.63626	0.5
81.03426	4.7
81.07054	34.0
81.07513	1.2
83.04970	4.0
83.08620	8.5
85.02905	4.9
85.06517	0.7
91.03908	2.4
91.05481	22.6
93.07042	33.1
95.04970	7.5
95.08606	24.4
97.02897	10.0
97.06532	3.1
97.10175	11.2
98.21520	1.5
98.46527	0.5
99.08025	1.0
103.05471	0.6
105.07032	15.6
107.04963	6.8
107.08595	18.3
109.02831	1.1
109.06510	3.0
109.10158	13.0
111.08029	2.0
115.05450	1.3
117.07009	8.0
119.04911	1.3
119.08588	13.4
121.06490	3.2
121.09348	0.9
121.10140	11.8
123.04430	0.6
123.08058	2.6
123.11689	2.7
125.09628	7.4
127.03871	1.4
128.06192	1.1
129.07014	3.5
130.07719	0.8
131.08568	11.0
133.06512	2.5
133.10143	7.5
134.07266	0.7
135.08044	3.5
135.11687	7.2
135.51262	0.5
137.09569	1.9
137.13231	0.8
139.11192	0.8
141.06958	1.3
143.08536	3.7
145.04915	0.7
145.06462	0.8
145.10136	6.9
147.08047	4.5
147.11696	4.6
149.09573	1.9
149.13266	4.3
151.11107	0.7
153.09039	1.0
155.08467	0.9
157.10098	3.5
159.08008	0.8
159.11728	4.2
161.09567	1.7
161.13213	2.6
162.10423	0.9
163.05994	1.1
163.11137	1.6
163.14818	1.4
165.09039	1.2
167.08595	0.6
169.12286	1.0
171.11638	1.5
173.09538	0.6
173.13268	2.8
175.11182	2.3
175.14784	1.3
177.12723	1.2
185.13229	1.1
187.11325	0.6
187.14777	1.2
189.11209	3.2
193.12209	1.4
195.11929	0.6
195.13702	0.6
201.16360	0.7
205.12184	1.5
211.13194	1.0
223.11159	1.0
223.13293	17.3
223.15453	1.2
227.12827	3.9
243.16264	0.6
243.21123	2.4
245.18997	0.9
249.14825	2.5
255.17499	1.2
261.19229	0.7
261.22116	8.1
263.20120	1.2
267.15820	1.4
273.18506	12.4
291.19540	95.1
292.19769	0.9
317.24707	2.9
335.25800	69.6
336.26147	1.1
347.22253	2.9
365.23230	74.4
366.23590	1.3
439.31836	0.7
527.37598	1.6
533.40314	0.9
545.30518	0.9
545.38397	7.0
551.41016	1.1
567.40503	0.7
607.43451	4.1
625.44635	100.0
626.44781	2.1
643.45911	2.6
689.42206	0.9
787.50488	0.7
984.56641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	5.5
69.07069	13.9
69.59545	0.9
69.59952	2.0
71.04978	1.1
73.02890	0.7
77.03913	0.6
79.05495	25.2
81.03428	3.5
81.07056	28.7
81.51182	0.4
83.04943	2.1
83.08619	6.1
85.02888	3.5
85.06502	1.5
91.03938	1.3
91.05480	16.1
93.07047	23.9
95.04975	5.1
95.08606	19.8
97.02896	6.5
97.06555	2.4
97.10168	8.1
99.04423	0.6
99.08061	0.7
105.04498	1.0
105.07027	11.0
107.04955	3.7
107.07905	0.8
107.08591	15.2
109.06523	2.6
109.10157	10.5
111.08065	1.1
115.05432	1.1
116.06227	0.6
117.06239	0.5
117.07011	6.1
119.04900	0.9
119.08580	9.8
121.06445	1.6
121.09348	0.7
121.10145	9.8
123.04448	0.6
123.08031	2.0
123.11651	2.1
125.09640	5.7
127.03860	0.7
127.07610	0.6
129.07002	2.2
130.07719	0.6
131.08566	8.2
133.06458	1.9
133.10132	5.0
135.08029	2.0
135.11722	4.5
137.09578	1.6
137.13196	0.5
141.06947	0.6
143.08571	2.4
145.10130	6.6
146.02744	0.5
147.08093	3.6
147.11678	3.4
149.09642	1.1
149.13292	2.9
151.11150	1.0
155.08513	0.6
157.10158	2.2
159.11699	3.1
161.09563	1.3
161.13200	1.5
163.05939	0.7
163.11133	1.2
163.14786	1.1
165.09067	1.2
169.10107	0.6
171.11697	1.4
173.13199	2.3
175.11211	1.8
177.12691	1.0
177.16283	0.5
185.13226	0.9
187.14876	1.0
189.11235	2.6
189.12683	0.7
193.12257	0.7
195.13657	0.8
205.12198	1.5
223.13289	12.0
227.12772	2.8
227.17778	0.7
243.21054	1.7
245.13669	0.5
245.19164	0.6
249.14871	1.7
255.17532	0.6
261.22171	5.8
273.18518	9.0
291.19547	60.8
292.20074	0.8
317.24771	2.5
335.25806	65.2
347.22223	2.6
365.23242	40.8
410.02646	0.5
505.35165	1.2
527.37238	1.0
545.38470	4.5
607.43744	3.8
625.44617	100.0
626.44757	2.9
643.45856	0.9
689.42059	0.8
787.50177	0.8
848.36365	0.5
984.57336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	3.0
69.06729	0.9
69.07069	11.1
69.72419	0.5
71.04991	2.1
71.12678	0.7
71.12989	0.7
73.02914	2.6
73.79455	0.6
77.03938	0.8
77.56229	0.5
79.05495	40.5
81.03424	2.7
81.07057	53.0
83.04980	2.6
83.08617	6.9
85.02910	7.7
85.06538	2.7
91.03954	5.3
91.05482	35.5
93.07046	47.9
95.04997	4.4
95.08611	43.7
95.09074	0.8
95.09241	1.0
97.02895	5.1
97.06533	3.6
97.10178	3.0
99.04462	1.2
99.08092	2.4
103.05476	1.0
105.04506	1.3
105.07034	29.6
107.05007	0.6
107.08597	26.7
109.02872	1.1
109.06530	3.2
109.10160	19.1
111.08091	2.5
111.11727	0.8
113.05979	0.7
117.07015	10.6
117.07766	1.1
119.06074	0.5
119.08585	21.7
121.06503	0.7
121.10145	22.5
123.08073	2.4
123.11713	5.7
125.09659	1.5
127.03949	2.9
128.06270	0.8
128.79489	0.5
129.05499	0.7
129.06992	3.6
130.07762	1.4
131.08569	16.6
133.10143	18.8
135.08107	0.8
135.11699	16.7
137.09628	2.1
137.13248	1.3
139.11185	0.7
141.06992	1.2
143.08569	3.6
145.04967	2.3
145.06537	0.5
145.10121	14.5
147.11691	14.3
147.12811	1.1
149.09628	0.9
149.13251	8.0
151.11195	1.5
155.08548	1.0
157.10124	4.0
159.11705	12.1
161.09656	0.6
161.13257	8.9
163.06026	2.5
163.11197	1.6
163.14833	3.1
165.12737	1.2
169.10092	1.2
171.11700	5.3
173.13275	7.1
175.11272	1.0
175.14886	3.2
177.12770	2.2
177.16441	1.0
179.14371	1.4
181.10139	0.7
185.13242	4.0
187.14822	5.6
189.12740	0.6
189.16425	0.9
197.13312	0.6
199.14824	2.7
201.16400	2.1
203.18082	0.7
205.15894	1.8
213.16393	1.6
215.17964	0.7
219.17386	1.0
220.90977	0.6
221.13388	0.6
221.15454	0.7
221.19174	1.1
225.16309	0.6
231.21149	1.3
239.17944	0.8
241.19557	6.5
243.21164	2.1
257.19019	2.1
259.20593	16.8
261.22183	6.6
269.17297	0.6
275.20215	0.7
277.21637	15.5
277.30060	0.6
285.22058	0.6
293.21152	1.5
295.22833	0.9
297.22147	1.1
301.21478	0.8
315.23071	1.0
317.24774	1.9
331.22540	0.9
333.20410	1.1
333.24234	15.0
335.25809	100.0
336.26151	1.2
337.27277	1.9
349.23792	0.8
351.25305	33.6
352.16568	0.8
353.27213	0.6
385.23950	0.8
421.25684	0.8
489.35754	1.1
513.30066	0.6
515.38062	0.8
519.41864	1.9
529.38745	4.1
553.42737	1.4
571.43445	1.6
593.45978	4.7
611.46716	56.7
612.47064	0.9
629.47437	1.9
635.46497	0.7
673.42419	0.8
719.48413	0.9
737.49365	1.4
755.50806	1.9
773.51135	1.5
970.57690	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	970.6097
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	3.2
69.06729	1.7
69.07069	17.6
69.70383	7.8
71.01346	1.5
71.04987	3.4
73.02901	3.1
79.05490	54.6
81.03400	3.6
81.07054	66.3
83.04994	4.0
83.08611	9.4
85.02898	15.8
91.03964	10.4
91.04901	2.7
91.05482	59.8
93.07041	71.4
95.04960	6.3
95.08604	54.3
97.02900	9.5
97.06539	4.2
97.10178	4.4
98.20772	2.7
99.08099	2.7
105.07027	58.2
107.08593	35.2
109.06513	3.1
109.10156	21.5
111.08080	2.3
115.05430	2.0
117.07003	20.3
119.08582	43.0
121.06527	1.9
121.10145	26.7
123.11724	8.0
125.09668	1.6
127.03905	4.9
129.06982	8.2
130.07768	1.8
131.08571	26.8
133.10121	38.9
135.08037	2.9
135.11684	22.8
137.09618	3.2
137.13248	2.1
139.11172	1.4
142.07764	1.5
143.08591	11.5
145.04976	5.2
145.10123	23.6
147.11684	29.7
149.09686	1.6
149.13261	12.1
155.08546	3.2
157.10118	9.9
159.11696	19.9
161.13246	22.6
163.05989	8.2
163.11209	1.8
163.14815	5.4
169.10139	3.1
171.11661	9.9
173.13271	12.9
175.14801	9.6
177.16415	2.2
183.11765	3.2
185.13264	11.0
187.14810	6.6
189.16397	1.6
197.13210	2.6
199.14803	7.9
201.16391	1.7
211.14894	2.1
213.16466	2.4
215.18048	2.2
217.15842	2.4
217.19434	2.0
227.17868	1.6
229.14294	2.0
231.21149	3.4
239.18143	1.8
241.19516	18.8
243.21077	2.2
245.22774	1.5
253.19716	1.5
257.18979	7.6
259.20563	52.8
261.22168	10.8
297.22113	2.4
313.21558	1.6
315.23190	4.4
317.24710	1.6
325.25153	1.7
331.22629	4.2
333.24249	42.8
335.25784	83.0
336.26190	1.5
337.27338	5.1
347.42789	1.4
351.25494	1.7
367.22791	2.1
385.23441	1.8
519.41742	6.1
529.38751	1.9
537.43329	2.6
541.38513	1.9
593.45587	18.3
611.46680	100.0
612.46698	2.2
623.46021	2.2
701.47577	4.7
719.48376	4.4
737.49719	3.4
755.50720	3.3
970.57709	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	965.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01869	1.3
67.05509	0.5
68.05017	0.1
68.99786	0.5
69.03431	6.2
69.07061	0.3
70.03762	0.1
70.06595	1.3
70.41115	0.1
70.41432	0.1
71.01361	0.2
71.04997	1.5
71.06902	0.1
72.08147	0.4
73.02912	0.2
74.06054	0.1
74.09733	0.1
79.05493	0.9
81.03417	10.8
81.07054	1.3
83.01339	0.3
83.04988	0.2
83.06109	0.1
84.04496	0.2
84.08143	0.8
85.02905	5.4
85.06551	0.1
85.08520	0.1
86.06087	0.1
86.09707	0.5
87.00834	1.0
87.05630	0.1
91.05476	0.7
93.07045	1.9
95.04996	0.3
95.08604	0.3
96.04478	0.1
96.75398	0.1
97.02891	9.9
97.06517	0.4
98.09682	0.8
99.04456	3.2
101.02393	0.1
101.07117	0.1
103.03951	0.1
103.05480	0.1
105.01873	0.3
105.03411	0.2
105.04518	0.1
105.07030	1.5
107.04971	0.2
107.08594	1.9
109.02879	8.9
109.06540	0.5
109.10151	0.2
110.07156	0.4
111.00800	0.5
111.04429	0.1
111.08076	0.3
111.09135	0.1
112.08700	0.1
113.06035	0.1
115.03947	0.2
115.05441	0.1
115.08668	0.1
116.06216	0.1
117.07027	0.3
119.04934	0.1
119.08586	0.7
120.08119	0.3
121.02866	3.8
121.06511	0.9
121.10142	2.3
121.11037	0.1
122.06037	0.1
123.08090	0.1
125.05948	0.1
127.03915	21.2
128.04301	0.1
129.01849	0.1
129.07120	0.1
129.10265	0.4
130.05014	0.1
130.07797	0.1
131.08580	0.3
132.22609	0.1
133.02876	0.5
133.04984	0.1
133.10164	0.2
135.04353	0.1
135.08078	0.5
135.11702	0.7
136.07599	0.2
137.02353	0.7
137.08601	0.1
137.09630	0.1
139.07550	0.1
139.11185	0.1
140.14346	0.3
141.06938	0.1
143.03391	0.1
143.08553	0.1
145.04970	0.7
145.06470	0.2
145.10120	1.7
147.02870	0.1
147.03296	0.1
147.04416	0.7
147.11682	0.4
149.06004	0.1
149.09619	0.7
151.03943	0.1
151.07524	0.1
153.01823	2.0
153.02991	0.1
155.08374	0.1
157.06483	0.3
159.02934	0.1
161.06018	0.1
163.11174	4.5
165.01834	0.9
167.10672	1.1
169.04977	0.4
169.06239	0.1
169.08600	1.0
171.02931	0.2
171.04449	0.2
173.09546	0.4
175.07602	0.1
181.12233	1.2
183.02919	0.5
185.06000	0.3
185.11708	0.4
187.06017	4.0
189.05469	0.2
191.10664	4.0
197.05978	0.2
199.03900	0.1
203.07083	0.1
209.11732	2.7
213.03929	1.2
213.05547	0.6
217.05037	0.1
218.05814	0.1
227.12779	5.3
231.04692	0.9
231.06636	0.3
241.04936	0.8
245.04463	0.1
245.13895	0.1
249.06042	0.1
255.04915	0.1
257.04456	0.2
258.05252	0.5
259.06021	0.2
263.05426	0.1
269.04306	0.1
269.13885	0.3
271.13266	0.1
273.06055	0.9
285.03857	0.2
286.04675	0.5
287.05490	100.0
288.05823	1.5
289.14471	0.1
291.07114	1.1
299.05557	0.5
299.12784	0.2
305.13797	0.1
311.05515	0.5
311.14856	0.1
317.13855	0.2
325.07236	0.1
329.06543	2.5
335.14938	0.4
339.08685	0.1
349.06915	0.1
353.06601	0.3
353.15881	1.4
371.16922	1.4
377.06641	0.3
389.18182	0.1
395.07602	1.4
431.09549	0.1
437.08911	0.1
449.10944	0.3
481.07547	0.2
499.08633	0.4
559.10785	0.5
577.11694	0.5
639.20367	0.1
657.21692	0.3
675.22723	1.1
778.91919	0.1
840.21185	0.1
900.70282	0.1
908.03363	0.1
921.33203	0.1
929.49274	0.1
965.45007	0.1
992.36365	0.2
1000.06824	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	962.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.0
68.05019	0.7
68.77981	0.1
69.03415	0.1
69.07065	0.2
70.06593	11.2
71.04996	0.2
71.51490	0.2
72.08141	0.3
74.06061	0.1
80.26553	0.1
81.07066	0.1
82.06564	0.2
83.07332	0.4
84.04507	0.3
84.08141	2.1
85.02892	0.5
86.06052	0.3
86.09698	0.4
90.58011	0.1
91.05484	0.3
96.08130	0.7
97.02888	0.2
98.09692	100.0
99.10009	0.4
102.05508	0.1
109.10162	0.4
110.07192	0.3
111.10477	0.5
112.11226	0.6
119.04939	0.7
120.08118	0.1
124.27238	0.1
126.12793	0.3
129.10255	0.5
136.07561	0.2
138.12770	0.1
140.14340	65.4
141.14746	0.7
147.04414	4.4
158.15381	1.1
192.67926	0.1
196.27223	0.1
234.41306	0.1
287.05463	0.2
304.19028	0.4
450.24893	0.7
488.74057	0.1
728.99207	0.1
760.35339	0.7
899.48944	57.2
900.49261	1.8
962.52405	0.2
965.75372	0.5
982.90735	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.487
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.0
68.05015	0.2
70.06592	4.4
71.04973	0.7
71.51888	0.2
72.08153	0.4
74.60330	0.2
78.88403	0.2
81.07049	0.2
84.04492	0.3
84.08125	1.5
85.02903	1.0
86.09703	0.6
91.05481	3.3
96.08123	0.3
97.02902	0.2
98.09692	44.1
99.10020	0.3
107.04942	0.9
109.10139	0.5
110.07189	0.4
111.04408	0.3
112.11202	0.3
113.26692	0.2
116.27221	0.2
119.04941	12.7
120.08068	0.3
129.05537	0.2
129.10243	0.4
140.14340	19.0
147.04408	95.2
148.04726	0.7
158.15404	25.5
159.08026	0.2
187.07391	0.2
201.05484	0.9
201.12306	0.2
217.05031	0.3
275.09131	1.7
287.05582	0.2
299.05148	0.2
304.19070	3.3
382.02347	0.2
450.24869	100.0
451.25204	1.5
510.42499	0.2
899.48608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.3
68.05030	0.9
69.03415	0.3
69.07051	0.2
70.06592	11.7
71.04971	0.2
72.08157	0.7
73.02901	0.2
74.06066	0.3
81.07053	0.3
82.06573	0.3
83.07355	0.2
83.08617	0.1
84.04493	0.5
84.08144	2.2
85.02908	0.7
86.06059	0.7
86.09692	0.9
87.05576	0.2
91.05473	0.6
94.06532	0.1
96.08126	0.7
97.02897	0.4
97.08845	0.1
98.09690	100.0
98.20740	0.3
99.10020	0.4
100.13013	0.1
103.05457	0.1
109.10147	0.4
110.07169	0.8
111.10446	0.8
112.11242	0.7
119.04935	0.9
120.08105	0.3
127.03996	0.2
129.10243	0.7
136.07529	0.2
138.12746	0.2
140.14337	77.2
141.14693	0.4
147.03235	0.2
147.04411	4.4
158.15381	1.3
229.57114	0.2
231.12488	0.1
287.05484	0.2
304.19241	0.2
450.24841	0.6
551.10638	0.2
614.29053	0.2
760.34967	0.6
786.83612	0.1
899.48932	58.5
900.49127	2.0
962.40381	0.5
962.95135	0.3
968.98297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6304
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	89.1
69.03425	3.4
69.07070	31.4
71.04996	3.1
71.08632	2.7
71.16709	1.3
71.17045	1.3
73.02921	6.8
75.04507	1.0
79.05495	40.7
81.03418	1.8
81.07059	91.9
83.04966	3.9
83.08147	1.7
83.08620	18.3
85.02908	24.8
85.06544	4.2
85.10216	1.0
91.03953	16.1
91.05485	28.2
93.07047	54.1
93.73154	0.8
95.04974	4.3
95.08611	77.2
97.02894	13.7
97.06525	5.7
97.10165	9.3
99.04484	0.9
99.08092	2.2
105.04518	2.3
105.07031	25.0
107.05029	1.0
107.08603	28.9
109.06544	1.9
109.10163	30.7
111.08072	2.3
111.11707	2.4
113.09658	1.0
113.64497	0.8
115.03931	1.1
117.07015	5.6
119.08591	20.4
121.10143	27.7
123.08082	1.8
123.11710	13.8
125.09637	1.7
127.03924	8.0
129.05466	1.0
129.07002	2.0
131.08583	13.1
133.10138	18.2
135.11696	18.7
137.09633	1.4
137.13271	4.0
139.11176	1.3
139.68140	0.8
143.08464	2.1
144.06546	0.9
145.04965	8.1
145.10123	9.5
147.11687	14.1
149.13263	13.8
151.11125	1.1
151.14804	2.8
153.12625	1.0
157.10092	1.4
159.11707	8.3
161.13269	9.5
163.06017	11.0
163.11128	1.5
163.14828	6.6
165.16367	1.3
169.10117	1.4
171.11674	1.8
173.13261	6.6
175.14801	6.1
177.16379	5.5
180.08670	1.5
185.13242	2.6
187.14790	3.8
189.16347	1.7
199.14864	2.4
201.16331	1.9
204.08623	1.2
231.21040	0.8
233.22617	2.0
241.19543	2.7
243.21089	7.6
245.22771	4.2
247.24254	1.2
259.20581	6.5
261.22165	28.0
263.23715	4.5
279.23251	1.0
287.23615	1.5
315.23117	1.0
317.24716	4.9
319.26266	1.0
323.25394	1.0
325.27225	1.2
333.24136	5.2
335.25809	88.3
336.26038	2.1
337.27374	100.0
338.27740	2.0
339.29080	8.0
449.37769	0.9
457.33749	1.0
489.36108	1.0
523.45404	4.9
536.72748	1.1
545.42059	2.3
559.43195	1.0
597.48834	44.2
615.49866	65.6
616.49658	2.0
637.16785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6306
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	10.2
68.05035	0.5
69.03439	3.8
69.07075	2.8
69.20241	0.3
69.20639	1.9
70.06600	5.7
70.06962	0.4
71.01353	0.7
71.04996	0.6
73.02921	4.4
77.73474	0.2
79.05502	9.3
80.05030	0.3
81.03427	1.6
81.07066	9.1
82.06591	0.2
83.05003	0.4
83.08639	0.9
84.08165	0.6
85.02914	5.0
85.06551	0.2
86.06085	0.4
87.04450	0.4
91.03972	2.7
91.05488	8.5
93.07051	8.2
94.06572	0.3
95.04989	1.2
95.08616	6.6
96.08147	0.6
97.02898	5.5
97.06532	0.7
97.10190	0.4
99.04494	0.7
101.02367	1.1
103.05514	0.3
105.04553	0.7
105.07045	6.4
105.56554	0.3
107.07415	0.3
107.08600	4.2
108.08138	0.3
109.02914	0.6
109.06541	0.5
109.10170	2.2
110.09697	0.4
111.08070	0.3
115.03950	0.4
115.05457	1.1
116.06268	0.3
117.07024	4.7
119.08593	4.8
120.08138	1.5
121.08907	0.2
121.10154	2.8
122.09683	0.7
123.08099	0.3
123.11762	0.3
127.03944	0.9
128.06212	1.6
129.07011	4.1
130.06573	0.2
130.07831	0.9
131.08575	5.2
132.08130	0.9
133.09032	0.4
133.10162	2.4
134.09656	1.1
135.11710	1.2
137.09615	0.3
141.06996	1.2
142.07800	1.4
143.08582	4.9
144.08098	0.4
144.09340	0.7
145.04883	0.3
145.08978	0.3
145.10126	5.7
146.09660	2.6
146.10823	0.3
147.10469	1.4
147.11731	1.5
148.11197	1.6
149.13322	0.5
150.12827	0.8
150.38126	0.3
151.07550	0.2
155.08569	1.5
156.09441	0.7
157.08910	0.2
157.10138	5.2
158.09700	1.3
158.10892	0.4
159.10501	0.5
159.11708	2.9
160.11217	1.8
161.12053	0.8
161.13289	0.6
162.12805	0.5
167.08626	0.6
169.10158	1.7
170.09706	0.8
170.11002	0.4
171.10435	0.4
171.11708	2.7
172.11194	2.0
173.12022	0.5
173.13342	1.6
174.12810	3.4
175.14874	0.5
181.10193	0.9
182.10966	0.2
183.11723	1.4
184.11256	0.7
185.11888	0.5
185.13293	2.6
186.12750	1.5
187.13448	0.4
187.14899	1.3
188.14299	1.2
195.11740	0.4
197.13338	1.0
198.12842	0.8
199.11560	0.2
199.14880	1.9
200.14308	2.6
201.16486	0.7
202.16161	0.3
209.13367	0.6
211.14958	0.5
212.14439	0.9
213.16519	1.2
214.15875	2.4
214.17537	0.2
216.17516	0.5
223.14938	0.4
224.14453	0.4
225.16499	0.4
226.16029	0.8
228.17474	3.8
229.18156	1.2
230.19052	6.2
230.21187	0.4
237.16428	0.5
240.17480	1.1
242.19130	0.5
254.19160	0.9
255.19893	0.3
261.22305	0.3
268.20734	0.8
282.22058	0.4
297.25793	0.3
325.25269	3.6
328.07330	0.3
335.25784	2.5
343.26611	0.4
356.25815	0.4
373.33688	0.2
394.31155	0.4
399.29108	0.7
409.22266	0.2
412.32184	5.8
417.30423	0.3
468.34869	0.4
592.43188	0.2
610.46112	0.3
630.40308	0.6
677.39728	0.4
677.51453	9.8
746.57141	4.1
908.62518	100.0
909.62640	3.2
954.63403	10.7
963.58112	0.3
967.01318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6149
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	68.8
69.03439	4.1
69.07069	16.2
70.71175	2.0
71.04974	2.1
71.08617	0.7
73.02924	4.8
73.06882	0.7
74.99858	0.7
77.03874	1.1
79.05492	44.7
81.03408	1.8
81.07055	71.1
83.04972	2.4
83.08616	8.6
85.02908	18.1
85.06538	1.8
87.82372	0.6
91.03957	12.7
91.04900	1.6
91.05479	30.5
93.07044	57.3
95.04982	4.5
95.08607	61.0
97.02892	9.7
97.06519	2.7
97.10172	4.4
99.04420	1.1
99.08088	2.1
99.48661	0.7
101.81801	0.6
103.05489	0.9
105.04517	1.9
105.07034	22.3
107.08591	32.4
109.02873	1.0
109.06557	1.9
109.10160	27.6
111.08073	2.6
111.11656	0.7
113.09698	0.7
115.03915	1.0
115.05489	0.8
117.07012	9.3
119.08580	22.9
121.10140	29.3
123.08087	1.6
123.11706	8.9
125.09628	1.6
126.50410	0.6
127.03890	5.2
129.07008	2.4
131.08571	17.5
133.10133	17.1
135.11694	18.9
137.09607	0.8
137.13231	2.9
139.11298	0.7
143.08548	3.0
145.04968	4.9
145.10115	13.2
147.11688	12.9
149.09563	0.8
149.13254	10.2
151.11064	1.0
151.14801	1.1
157.10133	3.0
159.11694	9.1
161.13275	11.4
163.06018	7.3
163.14790	6.1
169.10078	1.0
171.11678	2.9
173.13274	11.2
175.14870	4.4
177.16414	1.5
185.13293	2.8
187.14825	5.2
189.16325	1.4
196.19894	0.6
197.13239	0.8
199.14806	1.5
201.16406	2.1
213.16444	1.0
215.17950	1.0
217.19635	0.8
219.17592	0.8
231.13609	0.6
231.21016	1.2
233.22713	1.0
241.19553	4.3
243.21060	5.4
245.22803	0.9
247.20651	0.8
259.20566	9.7
261.22144	21.0
263.23788	2.1
277.21484	0.9
279.23434	1.0
299.23645	1.1
315.23431	0.9
317.24835	3.9
333.24200	11.4
335.25800	100.0
336.26062	0.9
337.27356	15.0
339.28925	1.0
359.92654	0.7
361.96719	0.7
431.79144	0.7
432.99866	0.7
489.35626	0.8
497.31058	0.8
503.43198	1.5
517.39026	0.8
521.43512	4.0
532.71228	0.8
543.40790	0.9
595.47211	21.2
613.48242	30.1
934.86993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6145
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	48.5
69.03425	2.3
69.07072	10.5
70.79305	0.5
70.79637	0.7
71.04990	1.6
71.08630	0.7
73.02921	3.0
73.92192	0.3
77.03951	0.4
79.05495	28.9
81.03421	1.5
81.07058	52.6
83.04990	1.6
83.08621	7.3
85.02904	14.9
85.06533	1.5
91.03963	9.4
91.05482	21.1
93.06396	0.4
93.07043	38.2
95.04970	2.5
95.08607	40.4
97.02898	7.4
97.06525	1.9
97.10155	3.0
99.04500	0.7
99.08087	1.2
105.04528	1.4
105.07034	17.0
107.08597	20.6
109.02900	0.6
109.06530	1.2
109.10158	18.2
111.08082	1.2
111.11731	0.7
113.09668	0.4
115.03937	0.6
115.05449	0.6
117.07022	6.6
119.08582	14.1
121.10143	19.6
122.80018	0.3
123.08068	0.8
123.11709	8.8
125.09622	1.2
127.03922	3.9
128.06209	0.3
129.07028	1.7
131.08577	10.6
133.10138	11.6
135.08064	0.7
135.11693	13.1
137.09616	1.0
137.13228	3.0
139.11221	0.8
141.06984	0.4
142.07784	0.4
143.08582	1.6
144.06630	0.4
145.04962	5.3
145.10121	9.1
147.11684	9.5
149.09647	0.4
149.13263	8.9
151.11212	0.5
151.14864	0.9
153.26247	0.3
155.08553	0.8
157.10126	2.0
159.11710	8.0
161.13268	8.3
163.06017	8.2
163.11168	0.5
163.14828	4.2
165.12770	0.7
171.11691	2.2
172.58234	0.4
173.13254	6.5
175.14766	3.7
176.51472	0.4
177.16452	1.2
180.08638	0.5
183.11700	0.5
185.13264	2.8
187.14845	3.1
189.16399	1.2
197.13217	0.6
199.14816	1.6
201.16396	1.3
211.76265	0.4
213.16432	0.9
215.17964	1.4
217.19547	0.9
229.19666	0.4
231.21094	1.1
233.22665	0.8
241.19621	4.1
243.21082	5.4
245.18846	0.4
245.22697	0.7
257.19131	0.6
259.20587	9.2
261.22159	18.0
263.23669	2.4
273.22113	0.7
277.21463	0.7
279.23203	1.2
281.21210	0.5
287.23727	0.5
291.23224	0.6
295.22672	0.5
299.23663	0.9
301.25204	0.5
305.24957	0.5
309.24353	0.6
313.25183	0.7
315.23032	1.1
315.26740	0.8
317.24765	3.9
325.25235	0.4
327.26736	0.5
330.37183	0.4
331.22748	0.4
333.24249	9.1
335.25800	100.0
336.26068	0.8
337.27368	13.6
341.28381	0.6
347.25784	0.5
353.27029	0.5
355.29779	0.5
445.32739	0.5
475.34341	0.7
489.35736	0.7
491.37286	0.6
503.36700	0.7
503.42908	0.7
505.38962	0.8
515.38226	0.5
517.38672	0.6
521.43384	2.7
531.40338	0.7
539.44434	2.0
543.40472	1.0
595.47247	18.9
613.48273	28.1
614.48468	0.7
619.03394	0.4
760.33563	0.5
908.62683	0.9
948.50745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	42.8
69.03432	4.1
69.07071	12.2
71.04972	2.6
71.52109	0.9
73.02892	2.6
73.32887	0.7
77.03928	0.9
79.05494	37.3
81.03418	2.6
81.07059	45.4
83.04967	3.3
83.08618	5.8
84.61155	0.8
85.02907	9.8
85.06519	1.7
91.03959	7.0
91.05484	46.1
93.07045	40.2
95.04982	5.1
95.08610	33.0
97.02902	6.5
97.06535	5.1
97.10152	3.7
99.04449	1.2
103.05460	2.8
103.72874	0.7
105.04488	1.2
105.07033	31.7
107.04946	3.1
107.08604	18.5
109.02891	1.3
109.06512	8.3
109.10149	9.9
111.08074	3.9
115.05427	3.7
116.06244	2.1
116.60938	0.8
117.07023	21.3
119.04942	0.8
119.08581	23.0
121.06504	5.2
121.10147	13.0
123.08076	7.1
123.11705	3.0
125.05994	0.9
125.09605	1.3
127.03896	2.3
128.06233	9.5
129.06995	12.6
130.07799	5.1
131.08571	35.8
132.36449	0.8
133.05598	1.1
133.06506	9.0
133.10127	14.3
133.32719	0.8
135.08064	5.1
135.11697	7.5
137.09612	1.8
141.07036	6.3
142.07762	3.0
143.08563	37.8
144.09290	0.9
145.04938	1.3
145.06461	2.2
145.10126	38.2
146.07245	0.9
147.08064	10.8
147.11707	6.8
149.09630	4.1
149.13242	4.4
151.07574	1.4
151.11151	1.9
153.06972	1.5
154.07735	1.3
155.05966	1.1
155.08566	5.9
157.06502	0.9
157.10135	12.4
159.08025	2.9
159.11690	14.3
161.09636	9.4
161.13239	2.6
163.06068	1.5
163.11240	4.4
163.14752	0.8
165.06998	2.5
166.07877	1.0
167.08522	2.5
169.10124	8.5
171.08026	1.8
171.11682	10.2
173.09587	2.5
173.13216	2.8
175.11151	5.2
177.12717	5.6
180.09309	1.1
181.10106	5.9
183.11671	4.6
185.09592	1.5
185.13287	3.2
187.11188	1.7
189.12811	1.3
193.10077	1.1
195.11693	10.1
197.13309	1.3
199.11278	1.8
199.14845	1.5
201.12668	1.8
209.13339	2.6
211.14848	1.3
213.12781	2.6
213.16393	1.1
227.14476	1.2
227.17923	3.4
237.16415	10.3
245.18988	3.1
255.17445	17.6
261.22101	3.6
262.32596	0.9
273.18497	47.7
275.20166	1.1
291.19604	1.7
315.19608	1.2
329.21057	5.0
335.25809	100.0
336.26089	2.0
347.22202	31.8
363.19269	1.0
417.22653	1.4
435.23694	1.9
466.19653	0.9
521.36407	0.9
589.42719	1.5
607.43579	82.9
608.43713	2.2
625.44623	11.1
751.46893	2.0
769.47827	2.1
787.49097	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	953.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	0.4
68.93248	0.1
68.99793	0.4
69.03431	2.9
69.07071	0.4
69.23196	0.3
69.23619	0.3
70.06596	0.7
71.04995	0.7
73.02917	0.5
77.03949	0.1
78.78754	0.1
79.05494	0.8
81.03419	4.7
81.07061	1.4
83.01340	0.1
83.04990	0.2
84.08147	0.4
85.02908	4.1
85.06564	0.2
86.09715	0.3
87.00831	1.9
87.01353	0.1
87.04469	0.1
91.03961	0.2
91.05482	0.6
92.02635	0.2
93.03412	0.3
93.07046	2.3
95.04964	0.3
95.08610	0.3
97.02896	1.7
97.06532	0.4
98.09695	1.2
99.04456	1.7
99.52878	0.1
103.03966	0.1
103.05483	0.1
105.01855	0.8
105.07034	1.9
107.04926	0.1
107.08594	2.5
107.20292	0.1
108.02113	0.1
109.02882	3.4
109.06535	0.5
109.10173	0.1
110.07180	0.1
111.00806	0.2
111.04432	0.1
111.08108	0.4
113.06018	0.2
115.03956	0.1
115.05527	0.1
117.01867	0.4
117.07038	0.3
119.04988	0.1
119.08576	0.6
120.08104	0.2
121.02881	0.5
121.06503	1.0
121.10148	2.7
123.04380	0.1
123.08042	0.2
126.03072	0.2
127.03918	4.7
127.07601	0.3
129.01831	0.3
129.10229	0.1
130.07771	0.2
131.08559	0.2
133.06612	0.1
135.04433	0.3
135.08054	0.5
135.11681	0.9
136.07512	0.1
137.02353	0.6
139.03900	0.6
139.07573	0.1
139.11192	0.2
140.14340	0.5
143.08585	0.1
145.04944	0.9
145.10124	2.2
147.02905	0.2
147.04424	0.7
147.11681	0.3
148.04765	0.1
149.05989	0.2
149.09625	0.9
151.03906	2.4
151.04951	0.1
151.07584	0.2
153.00558	0.1
153.01825	3.0
153.12657	0.1
158.15442	0.1
159.02899	1.3
159.04138	0.1
161.06013	0.1
161.09645	0.1
163.03908	0.4
163.11182	4.8
165.01813	0.4
167.10669	1.3
169.08632	0.9
173.09564	0.5
175.07623	0.1
177.05498	0.4
181.12222	1.2
183.02904	0.1
185.11719	0.5
191.10669	3.9
199.03871	0.1
201.05531	0.3
202.42560	0.1
203.03380	0.1
209.11736	2.7
213.03949	0.1
215.03464	0.1
217.04984	0.2
218.05777	0.2
219.06546	0.1
227.12788	5.2
228.04225	0.5
229.05013	1.3
231.02937	0.1
231.04988	0.4
233.52943	0.1
243.02864	0.1
243.06503	0.4
245.04515	0.4
245.13890	0.1
246.05232	0.8
256.03613	0.1
257.04459	1.4
260.03159	0.2
261.07516	0.3
269.13858	0.4
271.05988	0.5
271.13257	0.1
273.03931	0.8
274.04721	2.4
284.03235	0.3
285.03976	2.4
285.07355	0.1
286.04724	0.1
287.05545	0.2
288.06305	0.1
289.06860	0.1
293.06543	0.1
299.05469	0.2
299.12683	0.2
301.03540	0.1
302.04221	9.9
303.04599	0.1
311.15073	0.1
314.04282	0.1
315.05225	0.1
316.05984	0.1
317.06555	100.0
318.06921	1.2
329.06799	0.3
335.14966	0.3
341.06671	0.4
353.15988	1.4
359.07611	2.5
371.17004	1.3
383.07422	0.4
389.18161	0.1
425.08667	0.6
443.09424	0.1
450.24805	0.2
461.10571	0.2
479.11823	0.5
529.09790	0.2
547.10535	0.4
565.11591	0.4
687.22980	0.4
705.23798	2.0
905.19360	0.1
952.49188	0.4
953.47791	0.3
955.87189	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	939.277
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	0.1
67.05502	0.5
68.99786	0.6
69.03087	0.2
69.03436	2.6
69.07067	0.5
70.06605	0.9
71.05000	0.8
71.51753	0.2
71.87029	0.1
72.08150	0.1
73.02925	0.6
79.05489	0.7
81.03425	4.7
81.07069	1.4
81.87724	0.1
83.04988	0.2
84.08157	0.7
85.02917	3.6
85.06529	0.1
86.09702	0.2
87.00835	2.0
87.04507	0.1
91.03991	0.1
91.05501	0.5
93.03395	0.2
93.07048	2.6
95.04978	0.3
95.08619	0.3
97.02907	1.9
97.06522	0.4
98.09706	1.0
99.04465	1.7
105.01888	0.7
105.07041	1.8
107.04959	0.1
107.08604	2.2
109.02890	3.2
109.06518	0.6
111.00806	0.6
111.04425	0.1
111.08070	0.3
113.05978	0.2
117.01865	0.4
117.07018	0.3
119.04955	0.1
119.08594	0.8
120.08083	0.1
121.02900	0.5
121.06524	0.8
121.09322	0.2
121.10152	2.8
123.04433	0.1
123.08083	0.2
126.12829	0.2
127.03931	5.1
127.07533	0.3
128.06172	0.1
129.01859	0.2
129.10172	0.2
131.08557	0.2
133.06567	0.1
135.04475	0.2
135.08078	0.4
135.11703	0.7
137.02350	3.9
137.03401	0.3
139.11172	0.2
140.14366	0.4
143.08546	0.2
145.04973	0.9
145.10133	2.1
147.02739	0.1
147.04437	0.9
147.11728	0.3
149.02374	0.4
149.06052	0.2
149.09639	0.9
151.07545	0.2
153.01834	1.9
153.09090	0.1
159.02888	1.2
159.04166	0.2
161.05971	0.2
163.03935	0.5
163.11195	4.6
165.01840	1.1
166.02579	0.1
167.10687	1.2
169.08626	1.0
171.03021	0.1
173.06007	0.3
173.09676	0.5
181.12274	1.1
183.02904	0.4
185.11716	0.3
187.03903	0.3
191.07030	0.1
191.10678	3.8
195.02968	0.1
201.05473	0.8
205.05119	0.1
209.11748	2.7
215.03502	0.2
219.02802	0.2
227.12811	5.7
229.05019	2.2
231.04965	0.4
247.06104	0.4
257.04492	1.7
261.03983	0.2
269.13867	0.5
271.13269	0.2
274.04752	0.4
285.04056	0.8
287.05685	0.2
289.14389	0.1
299.12595	0.1
303.05014	100.0
304.05334	1.0
311.15228	0.1
315.04959	0.3
316.06006	0.1
317.13824	0.2
327.04871	0.5
335.15103	0.5
345.06091	2.5
353.16000	1.4
369.06079	0.4
371.17068	1.4
389.17731	0.1
411.07098	0.6
465.10162	0.3
515.07849	0.2
533.09192	0.5
551.10529	0.6
611.82245	0.1
673.21344	0.3
691.22394	1.4
938.44934	0.4
939.45245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5861
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	1.3
69.03430	2.5
69.07063	0.6
69.25021	2.8
71.04996	0.5
71.08643	0.8
73.02930	2.9
79.05495	0.7
81.03429	1.3
81.07057	1.6
81.13573	0.3
85.02911	4.5
85.10213	0.3
91.03953	3.0
91.04377	0.3
91.05492	0.7
93.07069	1.2
95.08614	2.0
97.02889	4.3
98.20786	0.5
99.04487	0.9
101.02393	1.3
103.03938	0.4
105.07053	0.8
107.08627	0.4
109.02907	0.6
109.10168	0.5
115.03946	0.5
121.10151	0.6
127.03933	1.3
145.05023	0.8
148.52586	0.3
176.75716	0.3
185.04289	0.8
203.05333	0.9
209.91673	0.3
239.23615	0.4
243.08429	1.8
291.86304	0.3
292.84872	0.4
335.25900	0.8
347.09451	1.8
365.10840	0.8
405.13611	5.2
497.30981	3.7
519.29352	4.8
541.64911	0.3
659.35944	5.0
681.34546	4.8
775.53711	1.2
937.58618	100.0
938.58820	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	935.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	0.1
67.05508	0.9
68.05029	0.7
69.03415	0.2
69.07064	0.3
70.06596	11.1
71.04990	0.2
71.06927	0.1
71.52000	0.1
72.08153	0.3
73.02921	0.2
74.06081	0.2
79.05488	0.1
81.07066	0.2
82.06585	0.3
83.07365	0.3
83.08567	0.1
84.04506	0.2
84.08140	1.8
85.02917	0.6
86.06074	0.4
86.09689	0.6
87.29916	0.1
91.05479	0.4
96.08141	0.6
97.02909	0.1
98.09697	100.0
99.10021	0.4
103.60390	0.1
109.10176	0.4
110.07203	0.3
111.10471	0.7
112.11226	0.7
119.04948	0.6
120.08142	0.2
126.12792	0.1
129.10271	0.5
133.04936	0.1
136.07596	0.2
138.12686	0.1
140.14346	75.9
141.14694	0.5
147.04414	3.9
152.94684	0.1
154.15984	0.2
155.08083	0.2
158.15419	1.0
185.09421	0.1
304.19244	0.3
374.62042	0.1
450.24945	0.7
450.74710	0.1
511.13074	0.2
564.05493	0.1
614.29773	0.3
672.49213	0.1
760.35364	0.7
821.93140	0.1
899.48981	52.5
900.49146	1.3
936.40668	0.4
952.98523	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	936.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03910	2.0
66.91571	0.6
67.05506	52.8
69.03439	4.0
69.07069	13.8
69.97397	1.8
69.97805	1.1
70.06552	0.7
71.05003	4.0
73.02893	2.3
75.91280	0.5
77.03923	0.9
79.05495	35.7
80.41216	0.5
81.03421	68.6
81.07057	56.7
83.04993	5.8
83.08620	22.0
85.02911	7.3
85.06520	2.0
91.03970	5.7
91.05482	32.5
93.07046	42.1
95.01291	0.8
95.04973	27.2
95.08607	40.8
97.02901	5.2
97.06532	5.3
97.10163	7.1
98.09683	1.4
99.08067	1.7
105.04493	1.0
105.06301	1.0
105.07032	25.3
107.04969	6.2
107.08596	26.1
109.02837	0.9
109.06537	4.7
109.10160	22.4
111.04426	2.2
111.07507	0.6
111.08087	5.6
115.05416	1.6
116.06239	0.7
116.95033	0.6
117.07021	8.8
119.04904	1.1
119.08589	23.7
121.06508	4.1
121.10146	23.1
122.33351	0.5
123.04388	2.7
123.08060	3.4
123.11701	7.3
125.09628	4.0
127.03916	2.9
127.44598	0.5
128.06194	0.8
129.07011	9.0
131.07607	1.2
131.08566	19.1
133.06506	3.1
133.10138	13.8
134.07292	0.7
135.04424	0.9
135.08060	2.6
135.10703	0.9
135.11696	14.7
137.09601	2.1
137.13219	2.2
139.11201	0.7
140.14320	1.8
141.06982	0.9
142.07742	2.5
143.08528	2.5
145.04990	3.3
145.06467	1.3
145.09062	0.8
145.10124	10.5
147.04379	1.4
147.08041	4.2
147.10524	0.7
147.11684	14.4
148.08899	0.7
149.09631	5.2
149.12202	0.8
149.13266	7.9
151.11215	1.1
155.08534	0.9
157.10126	11.1
159.08037	0.9
159.11703	8.6
161.09660	1.5
161.13283	4.8
163.06046	4.5
163.11156	3.0
163.14825	4.1
165.12752	2.4
167.08630	0.7
169.10100	1.3
171.08086	0.6
171.11674	2.4
173.09622	1.0
173.11880	1.1
173.13280	5.8
175.11182	8.4
175.14850	3.2
177.12798	0.8
177.16379	1.5
179.14252	0.6
181.10065	0.8
183.11662	1.2
185.13214	2.1
187.14828	4.5
189.05368	0.7
189.11189	3.2
189.12741	1.0
189.16408	0.8
193.12245	21.8
195.11743	0.8
197.13365	1.2
199.14850	1.2
201.12677	0.6
201.16408	1.8
205.12259	1.0
205.71727	0.6
209.13271	0.8
211.13196	1.4
211.14963	0.8
213.31203	0.6
223.13048	0.8
227.12752	8.3
229.14417	1.7
233.15338	0.8
233.22559	1.0
235.13332	3.1
243.15945	0.8
243.21082	6.1
249.14871	2.8
259.13297	1.8
259.20599	1.6
261.22150	20.7
261.96677	0.6
265.14377	0.7
267.15918	88.9
268.16354	0.8
273.14899	1.6
277.18011	0.7
277.21530	0.8
279.19754	0.6
279.23151	1.6
281.17703	0.5
283.24231	0.8
285.22067	1.1
299.23795	1.2
301.14398	1.9
301.21732	0.8
301.25204	7.3
307.18921	0.7
309.17026	4.6
317.24808	2.3
319.15442	1.0
333.17065	1.3
335.25812	100.0
336.26169	2.2
337.27380	0.9
351.17880	0.6
359.25641	0.8
363.25876	0.7
403.24872	1.2
417.26462	0.9
417.31613	1.9
421.25967	3.7
435.27423	2.8
435.32733	5.0
449.29156	1.8
453.33743	9.0
461.29141	0.7
471.34842	4.4
473.33746	0.6
475.30408	1.1
498.11691	0.6
509.36206	2.8
527.37341	75.0
545.38385	84.8
546.38989	1.7
559.40094	2.3
569.38446	12.3
577.40790	1.7
587.39166	2.6
593.38422	1.3
611.39386	3.1
623.39703	4.2
635.39496	5.9
653.40680	3.1
671.41577	4.0
689.43127	0.8
756.46808	0.8
774.47449	0.7
883.39111	0.6
900.49072	1.1
936.50305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6305
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.5
67.05506	31.3
69.03423	2.0
69.07069	8.5
70.53484	0.6
70.63931	1.5
70.64780	0.6
71.04977	1.5
71.08241	1.1
71.08632	18.4
73.02913	3.8
79.05494	16.5
81.03384	1.2
81.07056	40.3
83.04973	0.6
83.08617	10.2
85.02905	13.9
85.06534	0.9
85.10181	9.7
89.06011	1.5
91.03958	9.7
91.05479	9.9
93.07044	24.2
95.04940	1.3
95.08606	36.5
97.02898	7.7
97.06528	1.4
97.10177	4.2
99.08096	1.3
103.07550	0.9
105.04493	0.9
105.07030	6.9
107.08598	12.2
109.02900	1.0
109.10155	15.8
111.08096	0.9
111.11687	1.2
115.03943	0.9
117.07001	2.6
119.08579	5.7
121.10136	10.9
123.11701	8.2
127.03922	3.8
129.06999	0.6
131.08557	5.3
133.10172	5.7
135.11687	9.1
137.13255	1.9
145.04941	5.5
145.10124	5.0
147.11700	4.4
149.13255	6.1
149.30130	0.6
151.14821	1.0
159.11710	5.0
161.13300	3.4
163.06023	7.3
163.14876	3.3
163.92676	0.7
173.13286	5.6
175.14871	1.4
177.16380	1.3
187.14864	2.2
201.16376	1.3
233.22646	1.0
239.23700	2.5
243.21100	10.1
257.24844	1.9
259.48163	0.6
261.22141	34.8
275.06381	0.6
279.23132	1.2
313.27365	100.0
314.27676	1.5
317.24786	6.3
335.25803	74.7
336.26364	1.1
463.19370	0.8
499.45404	1.0
542.31921	0.7
573.48773	43.6
574.49249	1.1
591.49719	11.8
752.18402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.595
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	1.0
68.05023	0.2
69.03409	0.2
69.07042	0.1
69.25310	0.1
70.06594	4.2
71.05019	0.6
71.36095	0.1
72.08155	0.2
73.54900	0.1
78.04708	0.2
81.07047	0.2
82.06580	0.2
83.04955	0.3
83.08602	0.3
84.08146	1.4
84.08633	0.2
85.02911	0.6
86.06044	0.1
86.09708	0.4
89.03911	1.9
89.04423	0.2
91.05466	0.2
93.18450	0.1
96.08145	0.3
98.09692	47.6
99.09983	0.1
100.11259	1.6
106.04200	0.1
109.10152	0.4
110.07139	0.3
111.04465	0.3
111.10445	0.4
112.11248	0.4
115.77648	0.1
117.03377	7.5
124.05228	0.1
127.08739	0.1
129.04526	0.1
129.10205	0.2
134.03639	0.3
135.04395	0.4
137.06003	0.7
138.12769	0.2
140.14339	19.7
145.02843	39.6
146.03201	0.2
146.83238	0.1
147.04419	0.2
149.05977	3.1
156.13882	0.1
158.15402	21.3
163.03880	0.3
175.75085	0.1
177.05466	79.5
178.05801	0.6
182.15445	0.5
186.05464	0.6
209.16460	0.8
210.14839	0.6
226.19214	0.3
229.87723	0.2
231.06512	0.6
247.05960	0.3
305.10162	0.5
317.06525	0.1
326.27905	0.1
334.20126	6.1
336.22879	0.2
435.33163	0.5
453.34354	6.8
454.34085	0.2
480.25909	100.0
481.26120	1.5
761.25873	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	923.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.1
67.05510	0.8
68.05019	0.1
68.99794	0.6
69.03434	3.2
69.06783	0.1
69.07072	0.8
70.06596	1.5
71.01372	0.1
71.05000	1.1
71.52030	0.1
72.08147	0.4
73.02914	0.4
74.06055	0.1
77.03917	0.1
79.05072	0.1
79.05495	1.7
81.03423	5.6
81.06587	0.1
81.07062	2.8
83.01331	0.1
83.04984	0.5
83.08613	0.1
84.04497	0.3
84.08152	0.9
85.02908	3.9
85.06560	0.5
85.08489	0.1
86.06085	0.1
86.09710	0.6
87.00836	1.7
87.04462	0.1
91.03942	0.2
91.05476	1.2
93.07049	4.7
94.06627	0.1
95.04979	0.6
95.08614	0.6
97.02899	2.2
97.06519	0.8
98.06033	0.1
98.09708	0.5
99.03851	0.1
99.04462	2.3
101.06020	0.1
103.05470	0.2
105.01896	0.7
105.03385	0.2
105.04546	0.1
105.07037	3.4
105.41228	0.1
107.05007	0.4
107.08600	4.4
109.02885	4.5
109.06531	0.8
109.10144	0.3
110.07133	0.2
111.00797	0.4
111.04445	0.1
111.08103	0.7
111.11727	0.1
112.07625	0.1
112.08727	0.1
113.06030	0.4
115.03918	0.1
117.01891	0.5
117.07021	0.7
119.04961	0.1
119.08582	1.4
120.08099	0.4
121.02872	1.5
121.06512	1.9
121.10149	4.4
122.72762	0.1
123.08057	0.4
127.03925	4.9
127.07558	0.3
129.01826	0.3
129.06947	0.1
129.10286	0.4
130.07756	0.2
131.08607	0.6
133.02844	0.3
133.06499	0.2
134.07277	0.1
135.04401	0.2
135.08076	1.0
135.11708	1.4
136.06203	0.2
136.07512	0.1
137.02377	0.4
137.09615	0.1
139.07539	0.2
139.11174	0.3
140.14360	0.2
143.08551	0.1
145.04977	0.9
145.06363	0.1
145.10129	3.5
147.02834	0.2
147.04422	0.5
147.08043	0.2
147.11662	0.4
149.05957	0.2
149.09636	1.5
151.07544	0.3
153.01836	2.0
155.08366	0.1
157.06436	0.1
158.07309	0.1
159.02919	1.3
159.04143	0.2
159.07965	0.1
161.05966	0.1
161.09659	0.2
163.04007	0.1
163.11188	8.5
165.01843	1.0
167.10675	2.1
169.08606	1.8
169.09862	0.1
171.04344	0.2
173.09645	1.0
177.05412	0.1
179.10684	0.1
181.12241	1.7
183.02951	0.5
185.05945	0.4
185.11780	0.6
189.05489	0.1
189.09218	0.1
191.10678	5.5
209.11748	3.9
212.13707	0.1
213.05534	0.8
227.12787	8.6
231.04959	0.3
231.06718	0.2
241.04897	0.7
245.13773	0.2
253.12462	0.1
258.05191	0.6
259.06027	0.3
269.04391	0.1
269.13846	0.8
270.04932	0.1
271.13232	0.3
286.04758	0.1
287.05505	100.0
288.05771	1.1
289.14313	0.3
293.13733	0.1
299.05435	0.2
299.12836	0.3
303.05106	0.1
309.16882	0.1
311.05478	0.5
311.14978	0.2
317.13800	0.4
329.06552	2.3
335.14877	0.7
353.06717	0.4
353.15945	2.6
371.17023	2.2
389.18002	0.2
395.07651	0.3
413.08621	0.1
431.09406	0.1
449.11017	0.1
499.08844	0.2
505.85001	0.1
517.10071	0.5
535.10590	0.6
595.02594	0.1
675.21887	0.2
867.63318	0.1
923.45435	0.2
924.98224	0.1
936.75714	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	923.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.1
67.01868	0.1
67.05511	0.3
68.99789	0.5
69.03430	2.3
69.07053	0.3
69.61342	0.1
69.61752	0.2
70.06602	0.1
71.01354	0.1
71.04999	0.5
73.02920	0.4
79.05495	0.8
81.03420	3.6
81.06586	0.1
81.07057	1.3
83.01340	0.1
83.04978	0.2
84.08132	0.1
85.02907	3.3
85.06535	0.2
85.14769	0.0
87.00832	1.6
87.04460	0.1
91.03947	0.1
91.05478	0.4
93.03464	0.1
93.07045	1.7
95.04975	0.3
95.08587	0.2
97.02291	0.1
97.02892	1.7
97.06524	0.3
99.03848	0.1
99.04461	1.4
101.02386	0.1
105.01874	0.7
105.03380	0.2
105.07029	1.5
107.04956	0.1
107.08597	2.1
109.02884	3.2
109.06518	0.5
109.10148	0.1
111.00806	0.3
111.04438	0.1
111.08087	0.3
113.06028	0.1
115.03900	0.1
117.01852	0.4
117.07004	0.2
119.08565	0.5
119.60730	0.1
121.02870	3.3
121.06507	0.8
121.10144	2.3
123.08055	0.2
125.02369	0.1
127.03918	4.7
127.07536	0.2
129.01814	0.3
129.07069	0.1
130.07777	0.1
131.08549	0.2
133.02847	0.3
133.06476	0.0
135.04468	0.1
135.08076	0.5
135.11694	0.8
135.64693	0.0
137.02354	0.5
137.09604	0.1
139.07503	0.1
139.11192	0.1
143.08568	0.1
145.04977	0.9
145.06607	0.1
145.10121	1.8
147.02882	0.1
147.04401	0.4
147.08052	0.1
147.11664	0.2
149.05981	0.1
149.09630	0.7
151.07625	0.1
153.01833	1.6
153.09081	0.0
157.06477	0.2
159.02902	1.0
161.05875	0.1
161.09576	0.1
163.11182	4.2
165.01811	0.8
165.12691	0.1
167.10692	1.2
167.12082	0.1
168.61053	0.0
169.08591	0.9
171.02890	0.1
171.04413	0.1
173.05923	0.1
173.09596	0.4
175.03886	0.1
177.03909	0.1
181.12219	1.1
183.02875	0.4
185.05991	0.2
185.11722	0.4
187.05859	0.1
189.05487	0.1
191.10669	3.6
197.06062	0.1
199.03909	0.1
201.05562	0.2
203.03488	0.1
209.11739	2.7
213.03821	0.1
213.05513	0.6
219.06554	0.1
227.12782	5.2
231.04926	0.3
231.06975	0.3
241.04984	0.9
245.04407	0.1
245.13914	0.1
253.12292	0.1
258.05283	0.5
259.06107	0.2
263.05447	0.1
266.76019	0.1
269.04324	0.1
269.13910	0.4
271.13165	0.1
286.04648	0.1
287.05493	100.0
288.05820	1.5
288.08881	0.0
289.14362	0.1
299.05600	0.2
299.12756	0.2
311.05591	0.3
311.14801	0.1
317.13736	0.3
325.07016	0.1
329.06531	2.2
335.14975	0.3
339.08798	0.1
345.88571	0.0
353.06619	0.4
353.15964	1.4
371.16974	1.3
377.06485	0.2
389.18076	0.1
395.07535	0.6
413.08871	0.1
431.09613	0.1
449.10791	0.4
499.08630	0.2
517.09888	0.4
535.10834	0.6
628.46661	0.1
639.20483	0.1
657.22034	0.4
675.22748	1.6
688.23785	0.1
697.32690	0.1
928.68976	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	922.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	0.4
68.05040	0.4
69.07056	0.9
70.06593	75.6
70.14875	0.5
71.06935	0.3
72.08156	5.3
74.06077	1.8
74.59052	0.2
81.03415	0.3
81.07046	0.2
84.04504	1.0
84.08147	1.5
85.02910	0.3
85.06498	0.2
86.09707	100.0
87.10026	0.5
91.03941	0.2
91.05488	0.3
93.07039	0.4
95.04938	0.2
95.08558	0.2
97.02871	0.2
98.06083	0.3
98.09687	0.9
98.20776	0.2
100.07627	0.5
110.07140	0.3
115.08704	0.4
116.07098	0.3
120.08125	0.3
127.08685	0.7
128.10718	22.3
129.10245	0.4
130.05000	1.0
135.09113	0.2
135.11708	0.2
138.09123	0.3
138.12852	0.3
139.08710	0.4
140.14362	0.6
141.10239	0.3
143.11804	3.2
144.08279	0.2
147.04401	0.4
151.12370	0.3
153.10219	1.3
155.08147	0.8
155.11790	0.3
156.10201	8.3
157.13348	0.2
169.13365	27.9
171.11295	8.6
173.13008	0.5
181.09741	1.4
183.14989	0.6
187.10785	21.1
195.09822	0.2
197.12856	16.2
199.10832	2.2
201.12340	5.1
209.09300	0.3
211.14450	0.5
215.13887	0.2
227.10310	0.4
236.14000	0.5
237.12221	0.2
244.12975	0.4
252.17009	0.5
254.15009	2.0
255.10092	0.2
256.20239	0.9
268.16605	0.3
269.18600	25.4
270.14603	0.6
270.18170	2.8
280.16565	1.8
280.19672	0.3
284.19730	1.0
287.05515	0.5
288.15546	7.2
298.17609	28.3
299.17847	0.4
308.19495	0.3
310.21368	0.3
326.20737	49.6
327.21094	0.7
339.24063	0.3
351.20264	0.2
367.23477	1.2
369.21140	0.4
411.29907	3.1
439.29175	34.4
440.29800	1.0
450.27127	0.4
452.32001	0.2
466.26578	2.2
468.28192	2.8
480.32251	0.9
484.27686	32.3
485.28040	0.4
536.34344	2.3
553.36841	0.4
563.35571	0.8
581.27496	0.2
581.36694	4.1
597.35889	0.8
635.41388	2.0
654.37628	0.3
718.44507	0.3
736.45947	2.4
767.46655	1.3
886.47021	0.6
904.55481	0.2
922.52203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.4
67.05507	61.8
69.03426	4.7
69.07072	15.7
70.06586	2.0
71.03100	3.0
71.04980	3.5
73.02909	5.4
79.05496	51.9
81.03423	77.9
81.07056	65.7
83.04966	5.7
83.08625	22.0
84.08134	2.1
85.02908	12.1
85.06550	3.4
91.03966	6.4
91.05484	44.1
93.07049	60.3
93.07640	3.1
95.04978	29.0
95.08612	42.1
97.02881	7.5
97.06511	5.4
97.10184	9.6
98.09682	3.9
99.04475	1.7
99.08089	1.8
103.05450	6.6
105.04542	2.5
105.07042	31.1
107.04981	9.2
107.08596	31.2
109.02888	3.2
109.06510	6.5
109.10157	24.2
111.08100	6.9
117.07026	10.7
119.04956	1.9
119.08585	28.3
121.06514	31.9
121.10139	30.2
123.04416	3.2
123.08043	4.6
123.11711	8.7
125.09631	5.0
127.03941	2.5
129.07030	13.5
131.08554	21.8
133.06514	3.7
133.10124	19.3
135.08046	2.7
135.11714	17.4
137.09592	3.9
137.13342	1.5
139.11247	1.7
140.14360	2.1
142.07745	1.7
143.08566	4.1
145.04951	3.7
145.10112	15.0
146.64568	1.5
147.08046	2.1
147.11678	12.8
149.09613	5.1
149.13266	7.5
153.12758	1.7
155.08545	2.1
157.10095	12.0
159.11716	7.7
161.09630	1.3
161.13260	5.9
163.05998	4.4
163.11171	4.2
163.14761	3.5
165.12701	2.4
169.10123	1.8
171.11636	3.2
173.09708	2.0
173.13225	7.8
175.11240	7.6
175.14883	2.8
177.12714	2.5
177.16354	1.9
185.13345	2.0
187.14795	3.8
189.11206	3.3
190.16635	1.6
193.12262	21.0
201.16563	1.7
211.13242	2.5
227.12714	6.9
229.14294	1.5
235.13216	2.7
243.21111	6.3
249.14790	2.7
259.13306	3.1
261.22153	22.0
267.15924	100.0
273.14838	1.7
279.23166	1.8
285.22168	1.9
288.19568	5.7
301.14178	2.4
301.25302	5.5
306.20508	2.1
309.16946	5.8
317.24704	4.4
333.24490	1.6
335.25806	92.9
336.26193	3.8
345.24292	2.0
362.23065	2.9
403.24835	1.8
421.25580	3.0
426.26205	4.7
435.27597	2.9
435.32675	5.7
445.29495	1.4
449.28683	2.1
453.33557	8.8
471.34399	4.5
527.29102	2.4
527.37335	73.2
545.38391	93.9
546.38733	2.0
563.39374	8.8
569.38574	13.4
587.39471	2.7
611.39008	3.3
623.39050	4.0
632.44037	2.1
635.38776	4.8
653.40167	3.5
671.41162	4.2
760.49805	2.8
886.47144	3.1
919.12488	1.5
922.57288	40.0
923.55988	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	920.558
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	2.4
67.05509	53.8
69.03441	2.9
69.07074	10.8
69.81882	2.3
70.06608	0.5
71.05000	18.7
73.02921	2.5
73.06561	0.5
74.20219	0.4
79.05497	30.4
81.03410	2.0
81.07061	82.4
83.04987	3.8
83.08623	8.1
85.02910	11.4
85.06548	7.6
85.07027	0.7
91.03963	6.6
91.04999	0.5
91.05484	25.1
93.07047	37.5
95.04971	3.2
95.08610	27.0
96.04514	0.4
97.02900	5.1
97.06535	4.3
97.10176	2.6
98.20872	0.5
99.04458	0.6
99.08104	1.8
105.04538	1.0
105.07038	16.6
107.04959	0.5
107.08598	20.2
109.02907	1.3
109.06545	1.9
109.10163	13.5
109.10932	0.6
111.08096	2.4
115.67780	0.5
117.07030	5.1
119.08585	8.1
121.06509	0.9
121.10155	15.3
122.35225	0.5
123.08118	0.8
123.11711	12.9
125.09640	1.9
127.03888	2.5
129.05521	0.5
129.07028	1.2
131.08580	8.8
133.10136	18.3
135.11691	9.7
137.09645	0.6
139.11243	0.7
141.06918	0.5
143.08595	1.3
145.04980	3.2
145.10124	5.1
147.11710	5.3
149.09682	1.0
149.13277	6.7
151.11201	7.0
153.12781	1.2
155.08618	0.8
157.10182	1.2
159.11710	7.6
161.13266	3.3
163.06081	2.4
163.11221	0.6
163.14844	1.2
165.12794	0.5
169.10341	0.5
169.12300	1.0
171.11755	1.6
173.11902	0.8
173.13304	3.4
175.14871	1.3
177.12787	1.8
179.14389	0.5
183.11932	0.7
183.13861	2.6
185.13251	1.2
186.12917	0.7
187.13309	3.7
187.14868	1.2
195.13860	1.9
197.13326	0.8
199.14966	0.5
201.14793	0.6
213.50841	0.5
227.16396	3.1
229.14444	0.8
239.16461	0.4
243.15878	1.0
243.21156	0.7
253.18011	0.8
257.17438	2.4
259.20715	1.1
261.22177	2.5
267.15698	0.4
269.17453	5.5
269.99597	0.5
285.20450	0.4
301.20090	20.2
317.24857	0.5
333.24277	0.5
335.25812	17.0
393.31271	0.6
399.23978	0.6
411.32697	1.5
419.33401	0.5
429.33813	0.9
437.34171	2.3
445.24417	1.0
455.35263	1.0
475.34598	0.5
485.36298	4.4
503.37341	76.1
504.37534	1.1
511.37854	3.1
517.38831	2.5
528.82861	0.4
529.38922	31.9
530.39264	0.7
531.40546	0.6
542.52319	0.4
547.39948	1.9
561.41534	100.0
562.42029	1.7
673.42871	1.3
705.45648	1.3
920.63013	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	920.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79034	0.3
63.83508	0.3
65.03945	1.8
67.05508	43.5
69.03433	2.2
69.07067	7.6
69.07414	0.5
71.04599	0.6
71.04996	12.8
71.52010	0.6
73.02912	2.1
75.89149	0.3
79.05495	25.5
81.03432	1.5
81.07059	63.3
83.04977	2.5
83.08620	6.1
85.02905	7.5
85.03382	0.6
85.06542	5.7
87.04488	0.5
87.34878	0.3
91.03957	4.1
91.05482	19.7
93.07046	28.2
95.04980	2.2
95.08611	18.6
96.04490	0.6
97.02885	4.3
97.06534	3.2
97.10165	1.7
99.04482	1.1
99.08096	1.0
103.03972	0.3
105.04510	0.6
105.07034	12.0
106.60817	0.4
107.08595	13.7
109.02897	0.5
109.06536	1.3
109.10164	8.9
111.04500	0.4
111.08092	1.5
112.27665	0.3
117.07030	4.0
119.08580	6.6
121.06493	0.5
121.10146	11.9
123.08079	0.8
123.11707	9.4
125.09634	0.8
127.03915	2.1
129.07054	0.5
131.08562	6.4
133.10133	13.1
135.11700	6.3
137.09618	0.4
137.13258	0.4
139.11229	0.5
143.08589	0.9
145.04948	1.9
145.10146	3.4
147.11714	3.2
149.13271	4.2
151.11194	4.5
153.12764	0.7
157.10184	0.8
159.11707	3.6
161.13231	2.4
163.06033	1.9
163.14847	0.7
165.12825	0.5
169.12267	0.8
171.11705	0.5
173.04562	0.5
173.13243	1.6
175.14851	0.8
177.12778	1.7
177.16359	0.3
179.14366	0.6
180.08742	0.6
183.13838	2.0
185.13187	0.4
187.13335	2.7
187.14893	0.8
187.45656	0.4
195.13876	0.9
199.14975	0.5
201.16473	0.4
205.16039	0.3
227.16333	0.7
243.15872	0.6
257.17511	1.2
259.20773	0.6
261.22119	1.9
269.17462	4.2
301.20090	11.2
307.59457	0.3
317.24841	0.6
333.24316	0.5
335.25815	19.4
393.31079	0.4
411.32761	1.2
430.53436	0.4
437.34268	0.4
445.24591	0.5
485.36407	1.8
503.37323	61.6
504.37463	0.9
511.37872	0.9
517.38654	2.5
520.57678	0.3
529.38916	15.6
530.39325	0.4
543.40594	0.4
547.40411	0.8
561.41516	100.0
562.42114	2.4
647.41272	0.6
655.41663	0.4
673.43372	1.2
691.45001	0.4
705.45636	1.9
920.61115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.1
66.92291	0.1
67.05488	0.3
68.05035	0.1
68.99789	0.7
69.03432	3.2
69.07054	0.2
70.06596	2.1
70.96130	0.1
71.01354	0.1
71.04999	0.6
72.08146	0.2
73.02911	0.7
74.06060	0.2
79.05494	1.2
81.03421	4.7
81.07062	0.5
83.04967	0.2
84.04498	0.2
84.08149	0.9
85.02906	4.4
86.09708	0.6
87.00831	2.1
87.04443	0.1
87.05568	0.1
91.03962	0.2
91.05486	0.9
93.06480	0.1
93.07046	2.5
95.04954	0.3
95.08613	0.2
97.02291	0.1
97.02892	2.3
97.06524	0.3
98.09669	0.3
99.03841	0.1
99.04453	1.6
101.02361	0.1
103.05431	0.1
105.01875	0.9
105.03384	0.2
105.07031	4.3
107.04935	0.4
107.08599	4.6
107.80813	0.1
108.08880	0.1
109.02879	3.5
109.06509	0.2
109.10121	0.1
110.07171	0.2
111.00780	0.4
111.04423	0.2
111.08066	0.2
115.03891	0.1
117.01871	0.5
117.07007	0.4
119.04929	0.1
119.07803	0.1
119.08585	1.2
120.08091	0.3
121.02871	3.7
121.06502	1.1
121.10148	1.5
127.03922	5.1
129.01814	0.3
129.07025	0.1
129.10220	0.3
130.07748	0.1
131.08556	0.4
133.02844	0.5
133.04991	0.1
133.10091	0.1
135.04420	0.1
135.08054	0.6
135.11703	1.0
136.07568	0.2
137.02338	0.6
140.14336	0.1
141.06970	0.1
143.08472	0.1
145.04955	1.2
145.06436	0.2
145.10132	2.4
147.02902	0.2
147.04399	0.7
147.07999	0.1
147.11722	0.2
149.09663	0.6
153.01833	2.1
157.06458	0.2
159.01695	0.1
159.02901	1.4
161.05975	0.1
161.09576	0.1
163.11182	5.3
164.11491	0.1
165.01828	1.1
171.02953	0.2
171.04436	0.2
173.09595	0.3
175.03833	0.1
179.10672	0.1
181.12215	0.7
181.73445	0.1
183.02913	0.5
185.05971	0.4
189.05565	0.2
189.09113	0.1
191.10674	4.8
197.05992	0.1
201.05519	0.1
203.03612	0.1
203.07089	0.1
209.11743	3.2
213.03960	0.1
213.05548	0.8
218.05650	0.1
226.49893	0.1
227.12779	2.1
231.04932	0.4
231.06581	0.4
241.04974	0.7
243.06506	0.1
245.04353	0.2
258.05191	0.7
259.06140	0.3
263.05557	0.1
269.04520	0.1
271.13339	0.1
286.04767	0.1
287.05496	100.0
288.05811	1.4
289.14236	0.1
299.05478	0.2
299.12750	0.2
311.05545	0.3
317.13809	0.4
329.06546	2.0
335.14902	0.6
339.08640	0.1
353.06650	0.4
353.15942	2.7
371.17093	0.2
377.07086	0.2
395.07654	0.4
413.08496	0.2
416.72266	0.1
431.09665	0.6
449.10687	0.3
499.08780	0.1
517.09650	0.3
518.49902	0.1
535.10583	0.4
549.25378	0.1
639.20343	0.2
657.21729	0.9
905.42859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.3
67.05506	37.4
69.03432	4.8
69.06729	0.8
69.07072	9.5
69.63689	2.2
70.06599	0.8
71.04996	4.2
73.02927	2.7
73.06562	0.5
73.29501	0.4
79.05496	31.3
81.03420	42.6
81.07057	41.0
81.07443	0.5
81.07767	0.8
83.04986	9.7
83.08619	15.9
85.02907	23.0
85.06542	1.8
86.40942	0.5
87.04492	0.7
91.03961	6.9
91.05482	29.3
93.07045	31.3
95.04966	17.0
95.08607	26.7
96.04487	0.7
97.02898	6.7
97.06531	4.8
97.10189	4.0
99.04480	1.2
99.08111	1.5
103.05449	0.6
105.04533	1.2
105.07036	20.6
107.04972	4.3
107.08594	14.9
109.02857	1.0
109.06525	3.1
109.10152	11.3
111.04453	2.0
111.08081	8.0
113.06018	1.6
114.05518	0.7
115.05455	1.6
116.20006	0.5
117.07029	4.9
119.04919	0.6
119.08582	17.5
121.06501	1.6
121.10144	16.7
123.08085	2.5
123.11715	4.4
125.09633	1.7
127.03881	2.9
127.07539	0.6
128.06206	0.8
129.07008	9.5
131.07603	0.9
131.08578	13.9
133.06517	2.7
133.10126	11.4
135.11700	8.2
137.05907	0.6
137.09615	2.2
137.13220	0.8
141.06972	0.6
142.07782	2.0
143.08568	1.7
145.04968	3.3
145.10106	5.7
147.08061	2.1
147.11682	14.4
147.12810	0.9
149.09625	5.4
149.13258	3.8
151.11201	0.9
151.74400	0.5
155.08575	1.4
157.06456	0.5
157.08943	0.4
157.10132	11.8
159.08124	0.7
159.11693	4.4
161.13268	3.0
163.06078	3.2
163.11206	1.2
163.14830	1.8
165.12776	2.7
167.08629	0.7
169.10085	0.6
171.11731	0.7
173.09584	0.6
173.13223	3.8
175.11183	10.2
175.14781	1.2
183.11703	1.0
185.09575	0.6
185.13287	0.8
187.14803	1.4
193.12250	30.6
197.13332	1.0
201.16385	0.7
211.13290	52.6
219.17372	0.5
227.12816	1.7
229.14375	1.4
243.21141	2.1
249.14932	0.5
259.20758	0.8
261.22113	9.6
267.13013	0.9
267.15918	16.7
269.11847	0.6
285.16968	61.5
286.17267	0.7
301.25296	0.7
305.13724	0.6
309.16956	0.5
317.24823	2.3
319.15619	0.8
333.24432	0.6
335.25809	62.5
336.26202	1.0
337.27155	0.6
368.94998	0.6
393.19031	0.7
411.20041	0.7
415.94498	0.6
417.31482	1.1
429.21295	1.0
435.32614	2.6
451.29657	0.6
453.33633	2.9
471.34839	1.2
480.72849	0.6
489.36136	0.8
509.36255	1.4
527.37311	17.7
545.38373	100.0
546.38477	2.3
563.39569	0.8
569.37708	0.6
653.40015	0.9
671.41394	2.0
689.42291	1.9
904.55457	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	902.5841
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	0.6
67.05498	1.0
69.07037	0.2
70.06587	2.8
71.04995	0.6
71.51873	0.1
71.52254	0.1
73.46619	0.2
78.65680	0.1
83.04980	0.3
83.08610	0.2
84.08133	0.5
85.02911	0.7
91.05475	3.2
96.08163	0.2
98.09690	39.8
99.09998	0.1
100.07630	0.2
100.11255	1.5
103.29611	0.1
107.04977	0.9
109.10139	0.4
111.04404	0.7
111.10471	0.3
112.11197	0.3
119.04939	11.3
140.14340	19.7
141.14735	0.2
147.04405	100.0
148.04767	0.6
158.15399	28.8
159.15726	0.2
182.15427	0.3
187.07460	0.2
189.05310	0.2
201.05511	1.1
209.16473	0.9
210.14929	0.9
217.05013	0.4
226.19080	0.2
245.08231	0.2
275.09113	1.6
304.19058	3.0
326.27924	0.3
336.22729	0.2
435.33249	0.6
450.24854	98.3
451.25256	1.9
453.34363	8.1
490.88165	0.1
547.71381	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	904.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03902	1.7
67.05505	30.6
67.05841	1.0
69.03431	2.8
69.07069	8.8
69.20007	3.3
70.06551	0.5
71.04984	2.4
73.02908	1.9
77.03916	0.4
79.05491	27.3
81.03416	27.0
81.03859	0.5
81.07054	32.6
83.04976	6.1
83.08616	11.2
85.02903	17.0
85.06501	1.6
86.09691	0.7
90.41628	0.4
91.03957	4.5
91.05479	22.6
93.07043	25.6
95.04970	12.2
95.08603	21.6
97.02894	6.1
97.06533	2.6
97.10163	3.3
99.04418	0.6
99.08051	0.8
103.05409	0.7
105.04512	0.6
105.07029	18.4
107.04945	3.3
107.08595	12.4
109.02853	0.6
109.06521	3.1
109.10149	10.0
111.04396	1.5
111.07410	0.3
111.08083	5.0
113.05981	1.1
113.09631	0.4
114.05511	0.5
115.05423	0.9
116.06186	0.5
117.07021	3.7
119.08578	13.4
121.06464	1.5
121.10142	13.9
123.08023	1.4
123.11704	2.8
125.05954	0.5
125.09615	0.9
127.03901	1.8
128.06223	0.7
129.07018	6.4
131.08571	10.7
133.06433	1.2
133.10127	10.8
135.08034	0.7
135.10712	0.5
135.11688	5.8
137.09602	1.7
137.13206	0.8
139.11198	0.6
141.06921	0.8
142.07706	1.2
143.08501	1.2
145.04900	1.6
145.06375	0.6
145.10114	5.3
147.08084	2.2
147.11685	9.8
149.05925	0.6
149.09610	3.7
149.13240	3.4
151.11151	0.9
153.12770	0.4
155.08470	0.6
157.10130	7.2
159.11687	3.1
159.54135	0.4
161.09605	0.4
161.13286	2.4
163.06021	2.4
163.11115	1.1
163.14789	1.5
165.05457	0.4
165.12706	1.3
169.10034	0.6
171.11691	0.8
173.09593	0.6
173.11932	0.5
173.13261	2.3
175.09779	0.5
175.11201	6.3
175.14795	0.7
177.12662	0.6
177.16333	0.5
183.11688	0.7
185.13214	1.1
187.11041	0.5
187.14755	0.9
189.05496	0.4
189.12643	0.5
193.12248	19.6
197.13324	0.4
199.14716	0.4
201.16298	0.5
211.13272	27.2
213.16447	0.4
217.12242	0.5
227.12732	1.3
229.14325	0.9
243.21106	2.4
249.14804	0.6
259.20508	0.7
261.22131	8.0
267.15900	10.5
269.17447	0.9
277.14456	0.4
283.15457	0.4
285.16959	39.7
287.12854	0.5
291.19620	0.5
299.23624	0.5
301.25073	0.8
317.24762	1.9
335.25793	67.1
336.26224	1.3
341.24283	0.4
359.25916	0.4
393.19223	0.5
411.20258	0.8
417.31406	0.5
429.21149	1.0
435.32428	1.7
453.33807	1.8
471.35068	0.6
489.36026	0.5
509.36313	0.4
527.37311	15.4
545.38361	100.0
546.38751	2.1
563.39038	0.7
639.39429	0.4
653.40546	1.1
671.41449	1.2
689.42310	2.6
742.50507	1.2
904.57715	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	902.511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.7
66.98935	0.3
67.05504	27.5
69.03413	1.0
69.06730	0.6
69.07067	7.9
69.51089	0.4
71.04990	2.1
71.08614	0.4
71.51939	0.3
73.02923	1.8
77.03910	0.5
77.95423	0.4
79.05490	26.4
81.03408	2.6
81.07053	32.0
83.04996	2.2
83.05395	0.4
83.08612	7.3
85.02908	2.8
85.06552	0.8
91.03945	2.0
91.05479	12.5
93.07041	37.6
95.04971	4.4
95.08605	39.6
95.90791	0.4
97.02891	3.9
97.06512	2.7
97.10133	1.1
99.04447	2.8
103.05453	1.0
105.04520	1.0
105.07035	9.5
107.04963	5.0
107.08591	26.5
109.06532	1.9
109.10158	8.9
111.04426	1.2
111.08082	1.6
114.93217	0.4
116.06221	0.4
117.07003	6.9
119.08580	11.1
121.06503	4.5
121.10142	16.2
123.08079	1.1
123.11707	2.6
125.05975	2.3
127.03889	1.2
129.07042	0.5
130.07794	1.1
131.08574	3.8
133.10143	4.9
135.08040	1.6
135.11688	41.3
137.09677	0.5
139.07536	1.3
143.08508	1.0
145.04930	0.8
145.10120	24.2
147.07985	0.6
147.11662	2.0
149.09706	0.4
149.13255	2.4
153.12720	1.0
159.11708	2.0
161.13287	2.1
163.06001	0.9
163.11177	51.6
163.14772	1.0
171.11674	0.4
173.09520	0.4
173.13200	1.8
181.12236	9.0
187.14876	0.6
209.11797	1.3
227.12772	62.2
243.21162	2.2
252.66582	0.4
261.22137	7.2
267.15839	0.7
268.16171	0.7
283.15387	100.0
284.15796	0.5
313.27457	0.7
314.27560	0.5
315.27994	0.5
317.24814	2.4
335.25787	81.1
336.26202	1.6
469.33502	0.5
507.39398	0.7
543.36804	97.0
544.37109	2.0
561.37988	1.5
641.71729	0.4
687.41461	0.5
722.46771	0.4
902.56464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.9
67.05506	34.0
68.66440	0.3
69.03450	1.6
69.07069	9.3
69.85202	1.6
71.04989	2.1
73.02914	1.4
74.13182	0.3
77.03920	0.7
79.05493	30.2
81.03419	2.4
81.07057	36.0
83.04971	3.0
83.08622	8.0
83.09119	0.4
85.02909	2.8
85.06547	1.5
91.03963	1.3
91.05482	12.2
93.07045	41.3
95.04971	5.4
95.08608	40.5
95.09238	0.8
97.02897	4.4
97.06538	3.4
97.10152	1.9
98.09702	0.4
99.04454	3.0
99.08122	0.6
103.05452	0.4
105.04523	0.9
105.07033	10.6
107.04951	6.2
107.08595	27.8
109.06493	1.8
109.10155	9.2
111.04450	0.8
111.08078	1.7
111.11673	0.3
113.06001	0.6
113.09707	0.4
115.05449	0.5
115.07576	0.4
117.07014	7.6
119.08582	11.0
121.06508	4.1
121.10143	16.7
123.08073	1.1
123.11719	2.7
125.06000	1.9
125.09634	0.5
127.03935	0.5
129.07018	0.6
130.07777	1.2
131.08575	4.4
133.10139	5.6
135.08139	1.4
135.11694	36.1
136.11984	0.4
137.09599	0.6
137.13257	1.0
139.07524	0.7
143.08553	1.1
145.10126	22.4
147.07990	0.3
147.11653	2.2
149.13286	3.2
151.11128	0.3
153.12746	0.6
155.08575	0.6
159.11664	1.5
161.13263	1.8
163.11180	40.4
163.14824	1.0
164.11575	0.4
173.09618	0.5
173.13228	2.0
175.11200	0.3
175.14812	0.6
177.16360	0.5
179.14371	0.4
180.51480	0.3
181.12241	6.6
187.14851	0.7
209.11781	1.0
213.63390	0.3
227.12781	41.4
233.22624	0.5
243.21048	1.9
261.22150	7.7
283.15399	53.8
284.15979	0.4
313.27289	0.4
314.27859	0.5
317.24707	1.9
335.25797	92.8
336.26187	1.4
337.27063	0.3
411.86542	0.3
440.61838	0.3
469.33401	0.5
543.36823	100.0
544.37238	2.3
561.37805	0.8
740.50702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34895	0.1
67.05505	1.2
68.05032	0.4
69.07056	0.2
69.33615	0.7
69.34022	0.1
70.06593	10.5
71.04987	0.3
72.08148	0.2
81.07045	0.3
82.06606	0.1
82.31335	0.1
83.07356	0.3
84.08144	0.7
85.02905	0.3
86.09672	0.1
91.05469	0.5
96.08118	0.8
97.08906	0.1
98.09693	100.0
98.21527	0.2
99.10025	0.4
109.10163	0.3
111.10464	0.8
111.11694	0.1
111.56260	0.1
112.11235	0.7
119.04948	0.9
122.40620	0.1
129.10265	0.1
138.12723	0.1
140.14342	75.2
141.14722	0.6
147.04416	4.3
153.64011	0.1
154.15956	0.1
158.15405	1.2
304.18951	0.2
314.98062	0.1
340.63181	0.1
344.98468	0.1
376.05698	0.1
384.59845	0.1
424.23422	0.1
450.24902	0.2
542.11346	0.1
546.87720	0.1
547.67645	0.1
552.81976	0.1
614.29279	0.2
753.41791	0.1
760.35730	0.8
899.48956	35.1
900.49475	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49852	0.1
65.03957	0.1
67.05507	1.1
68.05025	0.6
69.07074	0.2
70.06599	10.2
70.55582	0.1
70.55926	0.1
71.04996	0.3
72.08176	0.2
79.05540	0.1
81.07051	0.2
82.06608	0.2
83.07365	0.3
83.08646	0.1
84.08145	0.7
85.02917	0.3
91.05489	0.3
96.08160	0.7
97.08931	0.1
98.09702	100.0
99.10026	0.5
109.10180	0.3
111.10498	0.5
112.11258	0.5
119.04978	0.6
136.07516	0.1
138.12776	0.1
140.14352	65.0
141.14745	0.3
147.04424	4.0
158.15430	1.0
177.05348	0.1
212.08360	0.1
235.37567	0.1
304.19052	0.2
443.90906	0.1
450.25238	0.3
490.73517	0.1
614.29535	0.1
716.81903	0.1
760.35095	0.9
899.49023	33.5
900.49475	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.6098
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.9
69.03413	1.1
69.07051	2.6
71.04977	1.3
71.08634	35.0
73.02902	2.6
73.06561	4.4
73.59298	0.5
77.03929	0.7
79.05485	3.0
80.21279	0.6
81.07061	2.5
83.08631	1.3
85.09665	0.8
85.10188	22.7
87.04471	37.9
89.06035	100.0
90.06358	0.6
91.05488	12.8
93.07050	6.4
95.04983	1.7
95.08624	2.3
97.02896	0.8
97.06551	0.6
97.10183	1.0
98.09689	3.2
98.20741	1.5
103.05462	2.1
105.07037	4.2
107.04956	4.1
107.07088	1.7
107.08608	4.2
109.06552	0.8
109.10184	1.8
110.54935	0.5
111.04451	0.7
113.05997	1.5
115.05408	0.6
115.07597	0.9
117.07082	3.0
117.09148	3.0
118.07813	0.8
119.04982	2.1
119.08591	4.6
121.06513	18.0
121.10138	2.7
123.08060	0.9
127.03887	0.6
127.14867	1.8
129.07047	0.9
130.08623	3.5
131.06064	0.8
131.07048	15.0
131.08586	1.6
133.08609	69.5
135.08063	6.7
135.11699	3.3
136.05226	1.2
140.14363	1.5
145.06528	0.7
145.10126	2.6
147.08064	9.0
147.09114	0.9
149.09610	5.3
149.13263	1.2
150.06737	3.4
156.64172	0.6
157.08728	0.8
157.10100	0.8
159.11736	0.8
161.09651	0.8
161.11804	1.1
163.11188	5.3
164.08330	1.6
165.09167	3.9
167.10693	1.5
173.09721	2.1
175.09695	12.5
175.11188	1.4
177.11235	26.0
177.12463	1.3
182.08311	0.6
189.12773	0.5
191.10721	3.6
191.14360	0.7
193.10744	1.1
193.12315	2.3
201.70976	0.5
207.13812	0.9
209.11690	3.3
211.13301	3.0
219.12238	4.2
221.13852	5.9
223.15509	0.9
227.12762	0.7
235.13406	2.6
240.91301	0.5
242.10312	0.7
247.20566	15.8
253.14323	1.1
255.15913	2.9
260.59964	0.6
261.22275	0.8
263.14725	0.6
265.16544	2.5
273.22162	5.3
279.15778	1.1
283.15387	1.9
283.17853	1.9
289.21759	0.9
289.25192	1.3
291.23187	28.0
297.16980	0.7
299.18628	1.3
301.16577	2.4
309.19217	1.5
313.27338	6.2
317.24750	3.3
323.18634	0.6
327.20389	1.2
333.24240	1.0
335.25809	5.9
353.21786	1.6
397.24527	1.4
521.38672	2.3
539.39508	4.3
736.46350	0.8
881.58630	4.7
898.61523	11.3
899.47980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	1.7
65.70009	0.5
67.05509	43.1
69.03411	1.3
69.07073	12.4
69.84016	0.6
71.04964	2.5
71.08594	0.9
71.52029	0.8
71.52406	0.7
73.02900	2.6
79.05497	27.7
81.03403	2.1
81.07058	51.9
83.04988	4.6
83.08624	9.6
85.02911	7.1
85.06507	2.3
88.84470	0.6
91.03961	4.6
91.05488	14.5
93.07048	41.6
95.04962	3.3
95.08612	24.4
95.09206	0.4
97.02901	3.5
97.06541	5.7
97.10154	2.1
99.04458	0.9
99.08050	2.0
105.04460	0.8
105.07032	9.4
107.08597	22.5
109.06506	1.8
109.10158	9.0
111.08095	3.6
113.09621	0.7
117.07016	6.2
119.08582	6.1
121.06530	1.3
121.10146	16.9
123.08000	1.2
123.11701	3.2
127.03912	2.1
129.06953	0.6
131.08574	9.1
133.10155	6.7
135.08049	1.3
135.11684	8.5
137.09625	0.9
145.04918	1.9
145.10143	3.2
147.11693	4.7
149.09625	0.7
149.13269	17.4
151.11165	1.2
157.10129	0.7
159.11710	8.8
161.13269	1.9
163.05992	2.4
163.14798	1.2
165.12761	0.7
173.13261	2.1
177.12770	3.6
187.14822	0.7
195.13806	5.9
201.16353	0.7
229.14285	1.1
243.21143	2.3
246.58089	0.5
253.14397	1.0
261.22147	7.4
267.15915	2.9
269.17487	81.9
270.17941	0.9
291.19687	0.7
293.21082	1.6
317.24719	1.7
335.25812	44.3
336.26144	1.3
367.24945	0.7
437.34109	1.6
455.34634	0.9
478.74551	0.6
511.37982	1.6
529.38904	100.0
530.39136	2.0
547.40356	3.1
709.18799	0.7
888.49274	2.4
913.60840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	0.2
67.05174	0.2
67.05511	2.2
68.05042	0.6
68.19059	0.1
69.07069	0.4
69.92239	0.3
69.92651	0.2
70.06600	11.6
71.05003	0.6
72.08155	0.3
79.00726	0.1
79.05500	0.1
81.07057	0.3
82.06610	0.3
83.07362	0.3
83.08620	0.2
84.08152	22.8
85.02930	0.6
85.08476	0.1
86.09721	0.3
91.05489	0.6
96.08146	0.8
97.08930	0.4
98.09703	100.0
99.10020	0.4
100.39535	0.1
107.04978	0.1
107.07098	0.1
108.19288	0.1
109.10186	0.6
111.10502	0.7
112.11259	0.6
119.04960	1.5
120.08136	0.2
126.12806	16.6
129.10243	0.2
136.07600	0.3
138.12788	0.1
139.68567	0.1
140.14354	53.5
141.14728	0.3
144.13852	0.7
147.04427	7.9
148.04803	0.1
158.15430	1.8
177.26132	0.1
212.08389	0.4
213.09157	0.3
224.12819	0.1
245.11487	0.1
275.09210	0.2
304.19211	0.3
443.74625	0.2
444.24347	0.1
450.24783	0.6
522.33514	0.1
728.34045	0.1
746.33881	0.5
760.35425	2.9
885.47498	53.1
886.47565	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.6
67.05506	47.5
69.03416	2.1
69.06732	1.1
69.07069	14.1
70.91746	1.9
71.04984	2.9
71.08635	0.7
73.02911	2.8
75.87267	0.6
79.05496	30.7
81.03426	3.3
81.07058	57.6
82.07380	0.9
83.04993	4.5
83.08620	11.4
85.02910	10.4
85.06538	2.8
91.03957	6.3
91.05482	19.0
93.07047	37.7
93.37637	0.7
94.91380	0.7
95.04962	3.1
95.05494	0.6
95.07990	1.4
95.08607	28.4
97.02891	6.0
97.06521	6.2
97.10179	2.9
99.04461	1.2
99.08096	1.8
105.07038	11.9
107.04946	1.1
107.08599	23.4
109.06519	1.7
109.10163	13.7
111.08094	3.4
115.05514	0.7
115.95206	0.6
117.07010	6.9
119.08597	7.6
121.06475	1.5
121.10149	13.6
121.11021	0.8
123.08082	1.2
123.11714	5.2
125.09611	2.0
127.03909	2.1
127.07475	0.7
129.05539	0.9
129.06979	1.4
131.08585	8.6
133.10127	13.6
135.08049	1.6
135.11691	9.5
136.72702	0.7
145.04985	2.8
145.10120	4.9
147.11707	4.4
149.13266	10.4
151.11180	2.2
159.11684	7.7
161.13248	2.0
163.06026	4.5
163.14825	1.7
164.98753	0.6
168.38239	0.6
171.11673	0.8
173.11844	1.4
173.13295	2.4
177.12781	2.5
180.08659	0.9
187.14825	1.1
189.11105	0.8
195.13803	7.4
201.16405	0.8
213.14842	1.2
223.13214	0.8
229.14322	1.6
243.21103	2.2
247.65979	0.8
251.16422	1.2
253.14491	1.5
259.20645	1.0
261.22186	7.3
267.15903	1.8
269.17490	55.0
291.19534	5.4
293.21198	4.0
317.24905	1.7
335.25812	55.9
336.26221	1.0
365.23248	2.0
367.24902	1.1
419.33060	0.9
437.34238	3.9
455.35315	1.4
491.37857	0.8
511.37784	2.1
519.33459	2.2
521.34320	1.3
529.38910	100.0
530.39319	2.7
547.39526	4.2
673.43372	1.0
691.43933	1.5
888.48834	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02887	2.4
62.01286	0.5
65.03903	0.5
67.05508	8.8
67.21824	0.6
69.07072	6.5
71.04977	1.1
71.08637	12.8
71.52287	0.6
73.02885	0.6
79.05087	0.7
79.05496	8.0
80.45155	0.6
81.03390	0.8
81.07061	12.6
83.04939	1.1
83.08621	7.3
85.02922	2.9
85.06539	0.6
85.09750	0.8
85.10186	9.5
89.06009	0.8
91.03932	1.8
91.05480	2.6
93.07050	13.5
95.04939	2.2
95.08609	23.2
96.75171	0.5
97.02887	3.4
97.06513	1.5
97.10181	3.3
99.04424	1.8
103.07574	0.8
105.07034	2.7
107.04963	3.2
107.08598	11.4
109.10146	5.5
111.08054	0.6
117.07024	3.5
117.07723	0.7
117.09121	0.6
119.08597	3.9
121.06479	2.3
121.10144	5.8
123.11682	1.9
125.05943	1.1
133.10101	1.3
135.08058	1.0
135.11696	22.8
137.13251	0.9
139.07504	1.0
143.08479	0.8
145.09062	0.9
145.10127	11.9
153.12709	0.8
163.11188	31.1
181.12228	6.6
227.12794	31.2
239.23798	1.4
257.24677	2.3
283.15411	40.6
313.27365	92.7
314.27753	1.7
390.48007	0.5
473.11111	0.6
521.38397	100.0
522.38678	1.9
880.49841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	0.3
63.39457	0.0
65.03935	0.1
67.05507	1.9
68.99792	0.7
69.03432	3.0
69.07058	0.1
69.52548	0.0
70.06601	0.4
71.01360	0.1
71.04704	0.0
71.04993	0.5
72.08137	0.1
73.02920	0.5
79.05484	0.3
81.03419	4.9
81.07057	0.8
82.03699	0.1
83.01328	0.1
83.04976	0.1
84.08150	0.2
85.02906	4.2
86.09709	0.1
87.00831	2.1
91.03954	0.2
91.05499	0.2
93.07047	0.3
95.04964	0.4
95.08606	0.5
97.02894	2.1
97.03522	0.1
98.09688	0.1
99.04459	1.2
99.08085	0.1
101.02404	0.1
103.03935	0.1
104.19413	0.0
105.01872	1.1
105.03394	0.2
105.07038	0.1
107.04957	0.2
107.08587	0.2
109.02879	3.6
109.06512	0.2
109.10157	4.2
110.07137	0.1
111.00787	0.4
111.04451	0.1
115.03939	0.1
117.01851	0.4
119.08575	0.3
119.55943	0.1
120.08099	0.1
121.02867	3.5
121.06534	0.1
121.10141	0.1
125.06029	0.1
127.03918	5.0
129.01855	0.3
129.10257	0.1
133.02853	0.5
135.00603	0.0
135.04419	0.1
137.02345	0.6
137.09618	10.3
138.09975	0.1
145.04964	1.3
145.06258	0.1
147.02855	0.2
147.04367	0.5
147.08012	0.1
151.03886	0.1
153.01831	1.8
155.10669	0.6
157.06458	0.2
159.02902	1.4
161.06010	0.1
163.11165	0.1
165.01848	1.0
165.09116	9.2
171.02893	0.1
171.04439	0.2
173.05995	0.1
175.03946	0.1
183.02887	0.5
183.10167	1.1
185.05986	0.3
189.05478	0.1
197.06010	0.1
199.03944	0.1
201.05550	0.1
201.11212	1.5
203.03526	0.1
203.07031	0.1
209.11720	0.1
213.03903	0.1
213.05547	0.7
217.05043	0.1
219.06557	0.1
231.04945	0.4
231.06584	0.4
241.04953	0.8
245.04384	0.1
258.05225	0.6
259.06018	0.3
263.05530	0.1
269.04419	0.2
286.04568	0.1
287.05493	100.0
288.05820	1.1
291.12076	0.3
299.05603	0.2
300.06128	0.1
309.13339	1.5
311.05478	0.5
327.14371	3.0
329.06543	1.8
345.15378	0.3
353.06525	0.4
377.06583	0.1
395.07544	0.5
413.08908	0.1
431.09671	0.1
449.10818	0.3
499.08496	0.2
517.09955	0.4
535.10583	0.4
595.18115	0.1
613.19403	0.4
631.20227	1.5
632.19958	0.1
695.81079	0.1
799.26874	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	877.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	0.9
68.05020	1.1
70.02940	2.2
70.06593	40.2
71.04974	0.5
71.06936	0.7
71.52339	0.8
72.08145	2.2
73.02905	0.4
74.06093	0.5
78.03202	0.4
79.05531	0.4
81.03453	0.4
82.06552	0.7
83.06106	0.5
84.04507	25.9
84.08144	84.7
85.02908	3.1
85.08498	0.5
86.06065	19.9
86.09717	3.0
87.04451	0.5
87.05602	0.7
87.90411	0.4
88.03992	35.1
91.05484	1.4
93.07046	0.9
97.02886	1.2
98.02393	0.5
98.09681	4.4
101.10789	1.8
102.05542	35.8
103.05463	3.0
105.06989	0.5
110.07155	1.5
111.09208	1.3
113.07085	0.5
114.05531	48.0
116.07098	0.5
120.08106	39.0
127.03874	0.6
129.10240	100.0
130.04990	5.4
130.10580	1.1
131.04933	0.5
136.03926	1.4
136.07579	1.5
139.04973	1.0
140.14386	2.4
147.04411	0.8
148.06090	0.6
154.04991	0.5
155.08182	0.5
157.06110	1.2
158.15428	0.5
164.03398	0.6
181.06044	2.1
185.05574	13.2
186.09190	1.8
187.07190	0.9
199.07158	0.9
209.12874	0.9
210.04057	0.5
211.07111	0.6
215.13948	0.4
217.08183	5.1
226.15414	1.0
227.06590	2.5
228.05066	0.6
229.08200	27.1
231.11374	1.5
231.14948	1.7
245.07761	31.8
245.11415	13.7
249.12393	1.7
276.17062	18.3
286.12128	0.7
286.15506	0.4
330.12909	2.2
340.11450	1.2
346.13837	0.8
358.12448	49.3
373.20761	7.6
373.25198	0.4
392.14587	1.9
405.21317	1.3
441.58594	0.5
450.25012	0.8
459.18945	1.1
477.19888	5.4
487.18442	0.6
505.19333	28.4
520.28003	2.6
526.27014	0.5
608.60126	0.5
615.28210	0.6
633.28839	1.3
649.31940	2.0
730.33813	1.4
784.64191	0.5
788.86743	0.5
877.39392	65.7
878.38971	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.4
65.03929	1.9
67.05505	41.3
67.62449	0.8
69.03414	2.3
69.06732	1.2
69.07070	11.8
71.01338	1.8
71.04980	3.0
71.08601	1.0
79.05494	34.5
81.03426	14.1
81.07057	46.6
83.04983	3.2
83.08628	5.5
85.02885	1.8
85.06517	1.4
91.05486	18.0
93.07046	33.3
95.04980	11.3
95.08607	33.7
97.02892	2.8
97.06518	2.6
97.10159	6.0
99.08070	1.5
103.03947	2.0
105.04512	1.3
105.07031	16.0
107.04971	6.1
107.08598	19.4
109.06518	9.7
109.10153	16.0
111.08058	2.5
115.05457	1.1
117.07017	8.0
119.04907	2.5
119.08586	12.6
121.02890	1.1
121.06503	10.1
121.09341	1.2
121.10149	16.8
123.04395	4.0
123.08051	4.2
123.11729	5.4
125.09577	3.4
128.06190	1.2
129.06979	4.8
131.04924	3.6
131.08566	10.3
133.06494	3.3
133.10135	11.5
135.04390	1.6
135.08049	3.3
135.11690	10.2
137.05975	28.8
137.09599	1.8
137.13261	1.1
141.06992	1.9
142.07704	0.8
143.08542	4.5
145.06468	4.8
145.10123	7.5
147.04448	4.3
147.08014	3.4
147.11676	7.0
149.05994	5.1
149.09637	1.7
149.13225	6.8
151.07498	1.5
151.11182	0.9
151.14690	1.0
155.08501	1.8
157.06459	4.3
157.10094	2.0
159.08037	3.0
159.11700	7.0
161.06006	2.8
161.09605	2.2
161.13258	4.8
163.07542	3.1
163.11227	2.1
163.14769	3.2
165.05476	11.7
167.06992	1.7
167.08447	1.0
168.09302	0.9
169.10092	3.9
171.08003	1.4
171.11655	3.1
173.05997	4.1
173.09642	1.2
173.11913	1.0
173.13254	5.0
175.03886	1.8
175.07497	1.8
175.14844	1.6
177.05508	2.4
177.12772	2.1
177.16258	1.4
179.07005	0.9
179.14323	1.0
185.09618	1.2
185.13216	2.1
187.11195	5.2
187.14789	2.2
189.05545	1.3
189.11223	1.6
189.12767	1.8
193.04935	2.0
195.11725	1.1
197.09628	1.1
198.47615	1.1
199.07533	1.7
199.11227	2.1
201.05289	1.0
201.16370	1.5
203.07024	1.2
205.12212	3.9
207.06598	1.2
207.13800	2.1
213.12730	1.9
215.10667	1.3
217.12155	1.4
223.11093	1.1
225.36285	0.9
227.12634	1.8
229.12320	1.2
231.13788	6.3
233.11674	2.2
233.15407	2.0
233.22636	1.4
235.13287	100.0
236.13490	1.1
241.12109	5.1
243.21136	6.1
245.11671	1.2
249.14818	6.4
259.13281	14.1
259.20819	1.0
261.14874	2.7
261.22137	22.1
263.12613	1.0
269.17386	1.0
277.14365	37.6
287.12961	6.0
287.15695	1.3
295.15424	5.8
295.18262	0.9
305.13843	44.6
323.14914	7.8
333.16672	1.4
335.25803	95.2
336.26169	2.5
337.27094	1.6
349.16455	1.8
351.17987	2.9
353.26840	11.0
361.16449	7.0
363.25378	1.6
379.17554	16.2
382.95911	0.9
397.18576	61.0
479.14474	1.0
555.36261	1.8
565.35455	1.9
583.35852	1.2
595.39618	3.9
609.37372	1.8
611.38904	3.9
613.41193	1.9
621.37976	2.1
627.38757	1.9
629.39844	1.5
639.38788	9.1
657.39960	74.9
658.40533	1.8
675.40948	5.7
872.45770	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	872.5
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.1
65.03929	2.2
67.05509	38.7
68.05806	0.9
69.03413	1.5
69.07072	9.7
69.94421	1.3
69.94817	1.4
71.01368	1.5
71.04981	2.0
72.86911	0.6
79.05499	26.5
81.02985	1.0
81.03425	8.9
81.07062	35.5
83.04976	2.8
83.08624	5.9
84.08153	0.7
85.02902	1.6
85.06542	1.8
91.05489	17.0
92.53912	0.6
93.07049	28.4
95.04971	7.1
95.08614	27.5
96.08939	0.8
97.02887	2.3
97.06518	2.6
97.10165	3.4
103.03915	1.0
105.07040	13.0
107.04970	3.9
107.08603	13.1
109.06513	5.9
109.10163	11.2
111.08058	1.5
117.07018	5.4
119.04946	1.2
119.08595	7.4
121.02830	1.3
121.06521	7.1
121.10148	11.5
123.04424	2.2
123.08063	2.8
123.11699	4.0
125.09610	2.3
129.07008	2.8
131.04906	1.8
131.08571	8.1
133.06516	2.7
133.10143	8.4
135.04420	1.6
135.08052	2.0
135.11699	6.3
137.05992	15.8
137.09593	0.9
137.13214	0.8
141.06995	1.4
143.08560	2.8
145.06496	4.3
145.10138	4.5
147.04405	2.3
147.08052	2.5
147.11700	3.9
148.07513	0.7
149.05972	2.2
149.09663	0.8
149.13278	5.2
151.07539	1.7
151.11194	0.9
153.05583	0.7
153.09187	0.7
155.08546	1.3
157.06485	2.5
157.10112	1.8
159.08047	1.6
159.11717	4.9
161.06013	2.2
161.09677	1.1
161.13284	3.5
163.07578	1.2
163.11267	1.1
163.14798	1.8
165.05470	6.0
165.12787	0.8
167.08513	0.7
169.10141	1.4
171.08015	0.8
171.11673	1.9
173.04541	0.9
173.06026	2.4
173.11902	1.2
173.13292	3.1
177.05450	1.5
177.12794	1.6
177.16368	0.9
181.97050	0.6
185.09613	1.1
185.13269	1.6
187.11226	2.8
187.14828	1.9
189.09171	1.1
189.12729	1.7
193.05008	1.0
195.11705	1.2
195.13748	0.6
197.09711	1.2
199.11140	1.4
203.14330	0.9
205.12236	1.7
207.13826	1.8
213.12802	2.8
215.10695	1.4
217.12288	0.7
229.14342	1.5
231.13837	2.7
233.11824	1.1
235.13300	44.1
241.12286	1.5
243.15970	0.8
243.21036	3.0
249.14908	3.0
259.13318	7.1
259.20685	0.8
261.14868	1.9
261.22159	8.3
269.11691	1.0
277.14374	17.2
279.16153	0.8
279.23309	0.9
287.12735	2.8
295.15384	2.6
305.13895	15.3
323.14935	2.9
333.17245	0.8
335.25821	100.0
336.26059	2.1
337.26990	0.7
349.16348	1.5
351.18079	2.4
353.27008	3.8
361.16470	5.4
379.17551	10.2
397.18588	26.3
495.11224	0.9
504.37799	1.4
583.35590	1.1
593.38391	1.0
595.39874	2.5
611.39014	2.2
613.40948	1.3
627.38861	1.0
639.38812	4.0
657.40009	44.4
658.40460	1.5
675.41187	4.6
692.44275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04536	0.4
61.02932	12.2
67.05532	1.0
68.05048	0.4
69.03436	29.9
69.07072	0.8
69.96104	1.8
70.06599	6.4
70.38954	0.4
71.01368	3.9
71.05002	1.6
71.08639	1.1
72.04552	0.5
72.08164	1.7
72.09347	0.5
72.20282	0.4
73.02925	56.0
74.03246	0.4
74.76265	0.4
79.05510	0.6
81.03429	6.0
81.07066	0.8
84.04502	0.9
84.08147	3.7
85.02913	100.0
86.03284	0.5
86.09725	2.7
87.04476	4.2
88.03973	0.6
91.03965	4.6
91.05490	0.8
93.07040	0.5
95.08645	0.6
96.04518	0.4
97.02900	57.8
98.06081	0.5
98.09702	1.7
98.97604	0.5
99.04473	4.8
101.02409	0.7
102.05583	0.5
103.03967	3.6
105.07051	0.7
107.08607	0.7
109.02890	7.8
109.10178	0.5
110.07167	0.7
111.04458	0.5
115.03941	28.7
119.04966	0.5
120.08133	1.1
121.06516	0.7
123.04472	0.5
123.11665	0.4
125.02410	0.4
127.03931	33.1
129.10272	1.7
132.06686	0.5
133.04977	45.0
135.06529	0.5
136.07573	0.9
139.03876	0.5
140.14406	0.6
144.06543	0.4
145.04973	53.1
147.04387	0.7
149.06001	0.5
150.07629	3.3
151.03917	0.6
157.05026	1.1
163.06033	31.8
169.04980	0.9
181.04921	0.8
193.04985	1.3
199.06030	1.6
204.08742	0.7
211.05963	0.6
217.07095	3.6
223.06027	6.3
227.16399	1.5
231.33652	0.4
241.07103	9.0
245.17538	1.6
247.08209	0.4
259.08160	28.0
263.18576	4.0
277.09198	6.7
287.05637	0.5
293.19604	13.2
294.11914	0.7
295.10278	24.8
310.22174	0.8
425.24002	1.0
441.72290	0.5
442.26587	8.1
531.86536	0.5
866.47778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50519	0.6
61.02926	7.8
65.03893	1.1
66.60062	0.6
67.05508	28.5
68.68627	0.5
69.03426	4.7
69.06744	0.5
69.07070	8.7
70.33427	2.3
71.04990	1.3
71.08611	0.6
73.02921	3.3
73.68562	0.5
77.43237	0.5
79.05493	21.3
81.03412	0.7
81.07057	28.8
83.04981	2.9
83.08622	18.6
85.02905	10.9
85.06526	2.0
87.04406	0.7
91.03950	7.7
91.05476	8.9
93.07045	20.9
93.07638	1.1
93.93645	0.6
94.06973	0.5
95.04958	1.9
95.08604	16.5
97.02888	5.2
97.06518	1.0
97.10171	43.0
99.04449	0.8
99.08080	0.8
101.09667	0.7
102.58685	0.7
103.03964	0.6
105.04491	0.8
105.06379	1.0
105.07030	9.0
107.07878	1.2
107.08595	21.9
109.06538	1.4
109.10165	9.1
111.08065	1.9
117.07021	3.5
119.08595	4.5
120.08123	0.7
121.06497	5.9
121.10152	9.4
123.08060	0.7
123.11710	2.9
125.09634	39.6
127.03930	2.5
131.08604	4.0
133.10156	3.6
135.08102	4.3
135.11682	7.2
137.09561	0.8
137.13290	1.1
143.10652	1.6
145.04958	3.8
145.10112	2.7
147.11681	2.8
149.13242	4.0
151.11232	0.6
153.09097	3.8
157.10077	0.7
159.11745	3.7
161.13298	2.3
162.09225	0.8
163.06000	3.8
163.14803	2.5
171.10162	4.2
173.13188	3.1
175.14818	0.8
184.07512	0.7
187.14844	1.9
189.11224	33.6
227.12782	66.4
230.15408	2.4
233.22639	0.8
243.21098	5.3
245.13850	100.0
246.14194	0.7
261.22150	24.2
279.23203	4.5
299.23788	1.1
301.14362	0.7
317.24768	2.8
335.25797	64.5
336.26178	1.6
353.27020	1.9
392.08484	0.7
395.29242	0.8
413.30643	1.0
431.31647	2.7
471.76898	0.6
487.34247	9.7
505.35239	49.9
506.35431	0.9
523.36340	8.0
596.00360	0.6
653.79907	0.6
864.51855	12.5
894.35156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	9.3
65.03930	1.4
66.11158	0.7
67.05508	40.2
69.03437	6.2
69.07070	13.2
71.04984	1.8
71.24920	0.6
73.02905	3.6
76.23689	0.6
79.05495	30.1
79.99253	0.6
81.03410	1.7
81.07062	42.5
83.04971	3.6
83.08622	23.8
84.08127	0.7
85.02911	11.9
85.06544	1.9
86.09720	0.7
86.42330	0.6
91.03496	0.7
91.03966	8.0
91.05486	12.7
93.07047	32.9
93.17806	0.7
95.04965	2.4
95.08611	24.6
97.02898	7.2
97.06552	1.8
97.10173	55.3
99.04403	0.9
99.08105	0.9
101.09652	1.5
103.05432	1.6
105.04511	0.8
105.07027	10.7
107.08597	30.0
109.02886	1.6
109.06519	1.6
109.09474	1.3
109.10160	14.5
111.08057	2.7
117.07016	4.5
118.06486	0.8
119.08581	6.4
121.06520	7.6
121.10143	13.6
123.08058	1.0
123.11733	5.0
125.09636	55.9
127.03907	2.7
131.08585	6.2
133.10138	5.8
135.08070	6.0
135.11700	9.0
136.06166	1.8
137.13272	0.8
143.08511	0.7
143.10666	2.9
145.04936	3.0
145.10141	3.9
147.11681	4.5
149.13257	5.0
153.09109	3.8
159.11728	3.7
161.13286	3.9
163.06013	4.0
163.14845	3.3
171.10162	4.7
173.13319	4.6
177.16380	1.3
185.48630	0.9
187.14767	1.7
189.11227	37.2
227.12790	70.2
230.15387	4.2
243.21111	8.1
245.13855	100.0
246.14421	0.8
261.22144	28.4
272.36331	0.8
279.23230	4.5
294.21414	0.8
299.23782	0.9
317.24799	3.8
335.25803	92.2
336.26166	1.5
353.26724	0.8
413.30435	1.0
431.31396	1.5
487.34280	11.2
505.35239	84.2
506.35471	2.4
523.36371	9.0
534.97992	0.7
553.71588	0.8
684.48730	0.8
821.52203	0.9
864.51996	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	861.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.1
65.03943	0.3
67.05508	4.1
68.98604	0.3
69.03442	2.8
69.07071	1.7
70.69508	0.9
71.01359	0.4
71.04991	1.5
73.02917	3.1
79.05496	2.9
80.05853	0.3
81.03424	1.2
81.07054	4.7
83.05001	0.4
83.08627	0.9
85.02904	4.3
87.04497	0.4
91.03956	2.7
91.05485	2.0
93.07050	4.0
95.04960	0.5
95.08609	3.2
97.02888	3.8
97.06537	0.4
97.10179	0.5
99.04465	0.7
101.02396	1.2
102.65443	0.4
103.03962	0.3
105.07067	1.2
107.08601	1.9
109.02921	0.8
109.06566	0.5
109.10149	1.9
117.07052	0.5
119.08604	1.2
121.10157	1.0
123.11677	0.3
127.03898	1.4
131.08603	0.9
133.10129	0.7
135.11732	1.0
142.85979	0.3
145.10123	0.3
147.11726	0.4
149.13319	0.6
152.23836	0.3
159.11626	0.4
161.13263	0.5
173.13237	0.3
185.04346	0.4
203.05559	0.3
243.08360	2.0
314.52783	0.3
335.25928	0.7
365.22986	3.1
371.71591	0.3
413.17981	0.4
485.23737	0.4
491.26404	0.3
519.29285	5.5
583.30945	5.6
691.40588	0.9
763.45172	0.3
861.53314	100.0
862.53754	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	861.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.0
65.03961	0.4
67.05506	5.6
69.03426	2.4
69.07068	3.9
69.16162	4.0
71.04980	0.8
73.02917	2.9
73.07957	0.5
79.05489	4.7
81.03415	3.0
81.07055	5.2
83.04996	0.6
83.08626	1.4
85.02917	3.9
86.09721	0.8
91.03979	1.8
91.05476	4.1
91.59108	0.5
93.07048	4.7
95.04974	1.9
95.08626	3.1
97.02899	4.6
97.06534	0.6
97.10168	1.4
99.04466	0.6
101.02382	1.1
103.03940	0.6
105.07027	2.9
107.08588	2.2
109.10178	1.6
111.08158	0.6
117.07023	1.0
119.08587	2.6
121.06512	0.6
121.10157	1.6
123.08093	0.9
125.09635	0.8
127.03909	1.0
131.08531	0.9
133.10143	1.3
135.08035	0.5
135.11702	1.1
136.06184	32.3
137.04587	0.8
137.06625	3.8
145.10139	0.6
147.11703	0.9
149.13393	0.4
152.05661	2.7
157.10149	0.8
163.24228	0.4
178.89525	0.5
185.04161	0.7
193.12314	0.5
203.05238	0.4
243.08443	2.4
267.16037	1.5
301.08978	0.5
333.20447	3.4
336.25998	0.5
386.86261	0.5
432.07007	0.5
439.19119	0.9
453.20926	1.5
520.29907	0.6
551.28290	9.2
551.88898	0.5
554.71429	0.6
623.30334	0.7
681.44379	2.0
698.45068	0.7
699.44891	4.3
766.19873	0.5
843.48944	1.3
861.49469	100.0
862.50165	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.5
67.05501	6.6
69.03423	2.9
69.07072	2.3
69.84083	2.3
70.06610	0.8
71.05014	0.8
71.62112	0.4
73.02915	2.8
79.05494	4.4
81.03424	2.9
81.07061	6.3
83.01332	0.4
83.04963	0.6
83.08630	1.4
85.02906	4.3
89.79686	0.4
91.03968	1.8
91.05484	3.8
93.07047	4.2
95.04984	1.6
95.08606	3.3
97.02900	3.1
97.06516	1.1
99.04453	0.9
99.08086	0.5
101.02384	1.1
105.07039	2.8
107.08612	2.8
109.02877	0.7
109.06529	0.8
109.10149	1.0
111.08108	0.6
117.07043	1.2
119.08630	1.6
121.10166	2.0
127.03907	1.0
129.06998	0.5
131.08594	1.4
133.10164	1.4
135.03047	0.4
135.11728	1.2
136.06187	26.0
137.06685	2.3
137.09654	0.6
145.05017	0.5
145.10121	0.6
147.11717	0.6
149.13225	0.6
152.05685	5.3
153.04103	0.6
153.06062	0.9
184.07481	1.1
193.12248	0.9
201.03925	0.4
203.05365	0.6
243.08391	2.6
267.15884	0.6
287.17487	0.5
287.83408	0.5
330.17014	0.6
332.43750	0.5
333.20346	3.7
335.25766	0.7
346.18866	1.1
352.91446	0.4
389.23001	0.5
420.22949	0.6
430.04370	0.4
439.19513	1.6
453.21201	1.7
469.20706	0.8
520.29742	0.9
551.28265	11.0
551.36346	0.7
552.28735	0.5
648.04132	0.5
681.44269	1.9
699.44885	2.5
763.41742	0.7
843.48584	0.9
844.48779	0.7
861.49438	100.0
862.49994	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	860.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	1.7
65.03962	0.3
66.33647	0.3
67.05510	4.6
68.08870	0.2
69.03429	0.7
69.07060	1.2
70.06603	1.8
71.00546	0.4
71.06935	0.3
73.02918	0.6
79.05502	3.8
81.03423	6.3
81.07054	5.7
83.05000	0.5
83.08617	2.1
85.02914	1.6
90.51493	0.3
91.03919	0.5
91.05492	3.3
93.07045	4.4
95.04982	2.5
95.08620	2.9
97.02909	1.4
97.06554	0.3
97.10160	0.4
105.07028	2.1
107.04962	0.6
107.08589	1.7
108.92099	0.3
109.06490	0.5
109.10159	1.2
111.08105	0.6
113.24226	0.3
117.07058	0.6
119.03564	1.3
119.08610	1.8
121.06508	0.6
121.07420	0.3
121.10112	1.5
123.11756	0.4
127.03901	0.4
129.06979	0.5
131.08569	1.4
133.10135	1.1
135.11694	0.8
136.06190	100.0
137.04623	1.0
137.48593	0.3
138.97043	0.3
142.07779	0.4
145.10152	0.6
147.11681	1.0
149.09599	0.5
152.05693	2.1
157.10135	0.9
173.13319	0.4
175.11200	0.8
184.07367	1.1
193.12242	2.3
197.64018	0.3
204.76956	0.3
261.22217	0.5
267.15948	3.8
328.15329	0.4
335.25800	3.8
346.18753	0.9
385.36246	0.3
420.22781	0.5
480.06909	0.3
527.37323	0.8
545.38373	1.1
680.43781	4.1
698.44800	13.0
758.59283	0.3
842.48926	3.5
860.49481	9.7
861.48987	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	1.1
65.03944	0.3
67.05187	0.2
67.05512	3.1
69.03416	0.6
69.07066	0.7
69.15832	1.6
70.06588	1.0
71.04993	0.3
73.02911	0.6
73.10848	0.2
79.05498	2.5
81.03423	4.2
81.07063	3.4
83.04982	0.3
83.08626	1.2
85.02899	1.1
86.09727	0.2
90.60662	0.2
91.03962	0.6
91.05489	2.1
93.07050	2.7
95.04980	1.4
95.08614	2.1
97.02883	1.3
97.06523	0.2
97.10194	0.3
98.21584	0.3
99.04441	0.2
101.02415	0.2
105.07049	1.3
107.04951	0.3
107.08611	1.3
109.05145	0.2
109.06530	0.2
109.10184	1.0
110.03505	0.2
111.08072	0.6
116.55438	0.2
117.06999	0.3
119.03570	1.1
119.08586	1.2
121.06502	0.5
121.10139	1.1
123.11693	0.3
124.99950	0.2
127.03912	0.3
129.07021	0.5
131.08569	0.9
132.35925	0.2
133.06512	0.2
133.10155	0.9
135.11705	0.5
136.06195	100.0
137.04590	0.9
137.06592	0.3
145.10184	0.2
146.67429	0.2
147.11694	0.6
149.09604	0.2
149.13229	0.2
152.05678	5.0
153.04079	0.3
157.10123	0.7
159.11740	0.3
161.13293	0.3
163.88506	0.2
173.13287	0.2
175.11223	0.5
184.07338	0.8
193.12262	1.3
221.92699	0.2
243.08344	0.3
243.20923	0.2
261.22067	0.7
267.15906	4.0
267.18619	0.3
322.83347	0.2
335.25833	3.1
346.18713	0.5
413.17953	0.3
420.22461	0.3
438.23532	0.2
466.50000	0.2
519.29279	0.5
527.37445	1.1
545.38385	1.2
600.19025	0.2
680.43884	2.1
698.44818	6.6
771.92023	0.2
796.95721	0.2
842.49213	2.0
860.48645	8.6
861.49457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	1.2
67.05505	4.5
69.03419	0.9
69.07071	1.3
69.62186	1.1
70.06595	0.6
73.02923	0.7
76.53765	0.2
79.05490	3.4
81.02991	0.4
81.03423	5.3
81.07055	4.3
83.04969	0.7
83.08623	1.4
85.02916	1.6
86.09703	0.4
91.03941	1.0
91.05486	2.7
93.07050	3.7
95.04958	1.8
95.08606	2.8
97.02890	1.7
97.06557	0.5
98.01069	0.2
105.07028	1.7
107.04932	0.8
107.08595	1.8
109.10168	1.2
111.08065	0.4
112.03079	0.3
117.07029	0.3
117.15218	0.3
119.03547	0.9
119.08582	1.4
121.06500	0.5
121.10136	1.5
123.11707	0.5
129.07016	0.6
131.08549	1.5
133.10162	0.9
135.11722	0.8
136.06187	100.0
137.04575	0.8
145.10062	0.5
147.08057	0.3
147.11711	0.5
149.09628	0.3
149.13229	0.3
152.05669	4.9
153.04108	0.4
157.10100	0.8
159.11714	0.6
161.13226	0.4
174.71181	0.3
175.11206	0.7
184.07350	1.1
185.13284	0.3
193.12216	1.5
261.22195	1.0
267.15933	3.6
275.47119	0.3
277.21619	0.3
335.25787	4.0
346.18909	0.4
505.35107	0.3
519.29785	0.3
527.37158	1.2
533.31158	0.3
545.38263	1.3
680.44037	1.9
698.44843	5.8
842.48401	2.0
860.48499	8.9
861.49200	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	859.4809
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02930	4.1
61.09882	0.5
65.03915	0.6
67.05510	6.4
69.03426	2.8
69.07053	2.6
70.06607	0.6
71.01362	0.5
71.04990	0.9
71.84546	0.5
72.52589	0.5
73.02899	2.9
79.05500	5.5
80.08634	0.5
81.03444	2.5
81.07056	7.1
83.05003	1.0
83.08615	0.8
85.02917	3.5
85.06533	0.7
86.69735	0.5
91.03957	1.8
91.05483	5.6
93.07050	4.7
95.04987	2.3
95.08606	4.1
97.02901	3.4
97.06551	1.2
98.20797	1.3
99.04459	0.7
101.02374	1.2
105.07034	2.6
107.04985	1.6
107.08546	2.6
109.06520	1.1
109.10181	1.6
116.48074	0.6
117.07047	0.8
117.43510	0.6
119.08595	1.9
120.08942	0.7
121.06516	0.6
121.10175	1.1
123.08135	0.7
125.09572	0.6
127.03953	1.5
131.08562	1.4
133.10150	2.7
135.08073	0.8
135.11703	1.0
145.10190	1.3
147.11761	1.5
159.11635	0.6
163.11305	0.7
184.07248	0.7
185.04234	0.7
191.05630	0.5
193.12292	0.9
203.05336	0.6
214.26083	0.6
243.08447	3.7
257.14178	0.5
331.18832	2.3
333.20517	1.6
335.25848	0.6
336.26575	0.7
369.20508	0.6
393.48273	0.5
439.19473	0.9
451.19449	1.3
453.21143	0.8
531.25671	0.7
549.26648	3.3
551.28229	7.7
623.30469	1.0
750.84766	0.7
761.40454	1.8
827.67505	0.8
841.46869	6.6
859.47980	100.0
860.48523	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	859.4809
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
60.15168	0.3
61.02930	3.0
61.59683	0.3
65.03946	0.6
67.05508	7.7
68.05844	0.4
69.03430	2.5
69.07076	4.5
69.36052	2.7
70.06594	0.6
71.08655	0.4
73.02930	2.6
79.05500	5.5
80.05827	0.5
81.03436	2.0
81.07056	6.8
82.07367	0.7
83.04981	1.5
83.05411	0.3
83.08630	2.0
85.02905	3.4
85.06565	0.5
91.03964	2.1
91.05486	4.6
92.05790	0.5
93.07053	5.6
94.07423	0.4
95.04971	1.4
95.08618	3.2
96.09005	0.4
97.02901	3.7
97.06559	1.5
97.10168	2.2
99.04475	0.6
99.08111	0.4
101.02381	1.2
105.07025	3.7
107.04980	0.9
107.08592	3.7
109.02891	0.5
109.06540	1.2
109.10164	2.8
110.10541	0.3
111.08101	0.7
115.03945	0.4
117.07039	1.3
119.08603	2.4
121.06586	0.5
121.10168	1.5
124.07631	0.4
125.09683	1.0
127.03960	1.1
129.05501	0.4
129.06996	0.7
130.07349	0.4
131.08540	2.0
131.18257	0.3
133.10124	1.8
135.08105	0.8
135.11726	1.1
143.08572	0.5
145.10176	0.8
147.11703	0.9
149.13339	1.0
159.11761	0.8
161.09683	0.4
161.13307	0.5
163.11258	0.4
173.13332	0.4
177.12819	0.6
185.04320	0.7
187.15024	0.4
201.03642	0.3
203.05357	0.4
223.13354	1.3
227.12828	0.5
229.14424	0.4
230.15269	0.4
241.06892	0.4
243.08372	3.4
255.15927	0.4
255.21953	0.4
269.17572	1.2
275.20264	0.8
289.19626	0.4
290.31744	0.4
291.19632	1.5
304.43552	0.3
317.18701	0.5
331.18900	1.3
333.20242	1.7
335.25940	1.2
336.26312	0.7
345.18155	2.7
349.23969	0.4
351.25131	0.5
377.10855	0.4
389.23233	0.7
439.19778	1.1
453.21307	1.1
463.30801	0.8
464.31076	0.7
469.20782	0.4
549.26691	5.7
551.28217	5.3
608.56073	0.4
626.44849	0.8
644.45935	0.8
679.43286	0.5
697.48181	0.7
859.48077	100.0
860.48224	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	859.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.4
65.03946	0.6
67.05506	7.1
69.03439	2.7
69.07069	4.1
70.06600	0.5
71.01379	0.4
71.04990	0.8
71.51720	0.4
73.02929	2.1
73.92547	0.3
79.05048	0.2
79.05495	6.4
81.03413	2.0
81.07056	8.9
82.07390	0.4
83.04993	1.3
83.08617	2.2
85.02916	2.5
85.06561	0.6
91.03954	1.6
91.05489	5.1
93.07043	6.2
94.07381	0.4
95.04977	1.6
95.08599	4.2
97.02890	3.0
97.06524	0.8
97.10175	1.2
99.04483	1.0
99.08115	0.5
101.02404	1.3
103.03924	0.5
105.07034	3.9
107.04967	0.8
107.08602	4.6
107.32472	0.3
109.02895	0.5
109.06523	0.8
109.10164	2.4
117.07060	1.3
119.08586	2.5
121.06524	0.5
121.10170	2.2
123.08091	0.5
123.11736	0.6
125.09660	1.1
127.03943	1.1
129.07097	0.6
131.08577	1.6
133.10135	2.5
135.08118	0.8
135.11685	1.6
137.09596	0.5
141.11670	0.3
143.08492	0.7
145.10112	1.5
147.11737	1.4
149.09706	0.5
149.13304	0.8
155.08643	0.3
157.10184	0.6
159.11711	1.5
161.13269	0.6
165.12773	0.4
171.11737	0.8
173.13271	0.7
184.07272	0.4
185.04285	0.6
185.13283	0.5
187.14853	0.5
189.11354	0.4
203.05266	0.6
223.13348	0.9
237.02177	0.3
239.16573	0.8
243.08434	3.3
251.12334	0.3
253.45966	0.3
269.17563	0.9
273.18521	0.5
291.19656	1.1
301.09067	0.5
331.18997	1.2
333.20505	1.2
335.25858	2.2
336.26416	0.9
339.55066	0.3
347.22186	0.4
387.21091	0.5
389.23032	0.4
425.34250	0.7
439.19464	1.2
453.21057	1.3
464.31149	0.3
469.20871	0.6
499.37860	1.3
517.38934	3.5
545.59082	0.3
549.26715	5.4
551.28296	4.6
644.45514	0.5
859.48071	100.0
860.48309	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	2.5
64.01477	0.9
65.03937	3.3
67.05505	89.0
69.03427	6.4
69.07070	28.6
69.51368	6.9
71.04995	9.6
73.02914	1.1
79.05493	56.0
79.47156	1.0
81.03419	8.5
81.07054	84.5
83.04973	6.6
83.08615	14.7
85.02898	4.5
85.06541	3.8
85.10245	1.1
91.03938	1.5
91.05481	43.1
93.07044	67.4
93.83531	1.2
95.04970	9.7
95.07989	2.7
95.08605	56.1
97.02895	3.4
97.06539	11.5
97.10181	5.7
99.04458	1.6
99.08099	2.5
103.05458	1.8
105.04535	1.9
105.07027	28.3
107.04951	4.4
107.08591	46.4
109.06512	6.3
109.10152	36.3
111.04453	1.3
111.08060	6.4
117.07021	18.8
119.08590	22.9
121.06501	6.0
121.10139	27.8
123.08095	2.5
123.11732	8.1
125.06062	1.2
125.09628	6.8
127.03919	3.4
127.11254	1.1
129.05486	2.5
129.07002	4.5
131.08568	21.4
133.06502	3.0
133.10135	21.3
135.08015	4.3
135.11697	17.6
137.09601	3.8
137.13280	1.4
141.06989	1.7
143.08592	3.3
145.06500	1.9
145.10118	19.2
147.07988	1.9
147.11696	8.3
149.09621	6.4
149.13248	12.7
151.11197	4.2
151.55443	1.0
153.09117	1.2
155.08595	3.8
157.10135	3.4
159.11682	14.8
159.97365	1.1
161.13210	7.3
163.11191	5.0
163.14777	2.2
169.10091	2.1
171.11676	4.6
173.09645	2.2
173.11737	5.6
173.13260	7.9
175.14850	2.5
177.12764	3.3
179.14339	1.7
183.11697	2.7
185.13313	2.2
187.11168	1.4
187.14790	2.9
189.11139	1.4
189.12775	1.3
189.16287	1.6
195.13821	2.5
196.19070	1.1
197.13229	1.9
199.14905	1.5
201.12610	1.3
201.16368	2.0
209.13219	1.1
213.12746	1.2
213.16515	1.4
227.12805	3.4
229.14323	20.6
229.19351	1.1
239.17989	3.1
243.21072	4.1
257.19080	3.8
261.22189	11.8
267.15930	1.7
269.17413	8.1
275.20065	14.4
289.18069	1.5
289.21402	1.5
293.17670	1.4
293.20865	1.9
307.22623	1.4
315.53766	1.2
317.24661	2.5
331.22717	2.2
333.24265	1.1
335.25793	100.0
336.26099	2.1
337.27280	1.5
339.18076	2.0
341.24695	1.3
349.23712	14.8
349.27521	1.8
359.18106	1.1
363.25522	1.4
369.24130	1.5
381.22391	1.2
381.26569	2.9
387.25626	1.5
405.26254	1.6
413.21698	6.7
479.29956	1.7
489.35803	21.3
505.34128	1.2
507.36676	3.2
526.21094	1.1
529.38892	95.9
530.38568	1.5
545.38623	1.2
569.41919	1.7
591.43768	1.2
609.45154	35.2
627.45013	4.7
637.40381	1.9
641.47693	16.3
655.41693	2.4
673.42987	13.5
691.43958	2.4
803.52643	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	2.9
63.06765	0.9
65.03942	4.4
67.05509	100.0
68.05841	0.9
69.03424	5.4
69.07072	26.4
71.04662	0.9
71.05004	10.7
76.38723	0.8
77.00307	0.8
77.03932	1.5
79.05498	58.3
81.03428	11.2
81.07063	90.7
82.09080	0.8
83.04990	6.7
83.08170	0.9
83.08630	15.1
85.02900	2.5
85.06540	3.2
88.70054	0.9
91.05486	43.9
93.07049	70.5
95.04973	10.2
95.08614	53.4
97.02916	2.4
97.06546	10.4
97.10166	6.0
99.04454	1.7
99.08092	2.5
103.05454	1.3
105.04517	2.1
105.07037	33.1
107.04960	5.9
107.08601	46.0
109.06528	5.7
109.10163	43.3
111.04449	2.1
111.08089	6.4
113.09680	0.9
115.05485	1.6
117.07027	16.1
119.08587	26.1
121.06544	5.4
121.10149	31.0
123.08060	3.9
123.11713	9.6
125.09620	5.5
127.03906	2.2
129.05495	2.5
129.07019	5.5
131.08578	21.8
133.06422	1.2
133.10141	19.5
135.08072	3.9
135.11708	16.3
137.09621	2.9
137.13272	1.4
141.06984	1.4
142.07884	0.8
143.08549	5.3
145.06464	1.1
145.10136	13.4
147.08018	2.1
147.11707	13.3
149.09628	5.9
149.13261	11.5
151.11154	3.1
155.08527	1.8
155.10681	3.0
157.10123	4.4
159.11708	12.2
161.09607	1.1
161.13280	6.9
163.11143	3.3
163.14833	2.7
165.12755	1.4
169.10165	2.0
171.10326	1.1
171.11617	4.1
173.11748	7.6
173.13297	7.8
175.11282	1.4
175.14851	2.2
177.12781	3.6
177.16290	1.2
181.10271	1.1
183.11722	2.9
185.13269	3.9
187.14832	2.8
189.11266	2.6
195.13799	3.0
197.13242	2.2
199.14876	2.4
201.16408	1.7
211.14745	1.2
213.16470	1.1
219.17421	1.0
227.12834	8.0
229.14349	35.7
229.19429	1.8
239.17865	1.2
243.21086	3.9
257.19012	4.8
259.20508	2.3
261.22150	14.4
267.15881	4.2
269.17480	12.3
273.18823	1.0
275.20071	19.8
275.55743	1.2
285.22244	0.9
289.26578	0.9
293.21097	1.5
307.22662	1.1
309.20740	1.6
317.24973	2.2
331.22675	1.4
333.24136	2.6
335.25830	96.0
336.26187	1.5
337.27399	1.0
339.18066	1.6
349.19809	1.4
349.23785	17.0
367.25217	1.0
369.24277	1.8
381.26495	2.6
397.30972	1.1
405.26395	1.1
413.21783	4.7
437.34161	2.3
453.24869	1.9
471.34683	1.7
473.15472	1.0
489.35724	22.5
507.36725	3.3
511.37817	1.6
527.37091	3.2
529.38904	77.1
530.39288	1.8
545.38354	2.6
547.40100	1.4
561.37732	1.7
569.33978	1.5
569.42072	21.0
571.40314	0.9
609.45227	30.8
610.45587	1.0
627.46460	5.5
637.40594	1.5
641.47937	8.6
673.43359	6.7
691.44086	1.4
713.47577	1.2
793.77148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	2.3
65.03937	4.9
66.53515	0.7
67.05504	80.7
69.03430	10.0
69.07070	40.9
69.34655	6.7
71.01331	1.4
71.04996	8.1
71.08627	0.9
73.02929	1.6
76.71304	0.7
77.03911	1.2
79.05492	71.3
80.05799	1.0
81.03420	17.8
81.03870	1.5
81.07055	100.0
83.04989	15.3
83.08617	20.4
85.02907	7.1
85.06550	5.4
91.03937	1.5
91.05481	62.8
93.07042	71.7
95.04961	16.1
95.08605	46.2
97.02883	6.7
97.06521	21.7
97.10166	9.7
98.20808	1.7
99.04456	2.5
99.08084	3.3
99.41525	0.8
103.03957	1.3
103.05461	1.7
105.04517	2.2
105.07029	52.6
107.04949	12.9
107.08590	51.8
109.02877	2.6
109.06518	10.0
109.10154	18.9
111.04484	1.5
111.08094	7.2
111.11755	1.0
113.05994	1.5
113.09648	2.1
115.05469	3.3
117.07018	25.0
119.08578	39.8
121.06507	8.5
121.10136	23.1
121.60682	0.8
123.04420	1.7
123.08079	7.3
123.11689	7.2
123.12383	0.8
125.05980	1.0
125.09630	8.5
127.03918	4.3
127.07553	0.9
128.06230	2.7
129.05482	2.0
129.07014	11.3
130.07791	2.4
131.04918	1.0
131.08566	29.0
133.06506	2.6
133.10133	35.0
135.08067	8.0
135.11690	24.0
137.09628	5.4
139.07587	0.9
139.11174	2.5
141.06978	4.9
142.07779	2.1
143.08556	9.0
145.04939	1.3
145.06439	1.6
145.10114	23.9
147.08034	3.2
147.11697	15.4
149.04362	0.9
149.09621	18.6
149.13260	16.7
150.97177	0.8
151.11194	3.8
155.08559	4.8
157.10144	8.7
159.08047	2.3
159.11690	19.7
161.09633	3.4
161.13261	6.0
163.11182	14.1
165.07047	1.0
165.09123	1.6
165.12775	2.1
167.08603	1.2
167.10721	0.8
167.14395	1.2
169.10117	6.4
171.08037	1.0
171.10355	1.6
171.11613	5.7
173.04434	3.6
173.09627	1.6
173.13260	8.6
175.11234	2.5
175.14809	1.6
177.12711	6.3
179.14325	3.2
181.10143	2.5
181.12196	2.3
183.11673	4.8
185.13261	3.6
187.11165	3.0
187.14857	2.5
189.11211	4.7
189.12717	1.3
191.14120	0.9
193.12271	2.1
195.11728	2.5
195.13820	10.2
197.13310	2.4
199.14830	2.0
201.12683	1.9
201.16405	1.3
209.13237	2.0
211.14900	1.2
213.14680	1.6
213.16510	1.8
217.15823	1.4
221.13208	1.0
223.09331	1.0
223.14902	1.1
227.12758	12.6
227.17793	1.1
229.14342	2.9
229.19566	2.6
233.15311	1.3
235.16931	1.3
239.17921	4.1
245.13823	1.9
245.18958	1.2
247.17142	1.0
247.20496	3.4
249.18573	1.2
251.16373	2.1
253.14342	2.3
253.17932	1.3
255.15872	14.9
257.18988	14.3
259.20621	1.7
261.14911	1.0
267.15875	5.0
269.17474	55.2
273.18506	1.3
275.20065	49.1
276.20349	1.3
291.19617	2.5
292.19778	1.7
293.17825	1.0
293.21069	4.1
303.15936	1.1
309.20996	0.8
321.16745	1.0
321.24304	2.0
331.22714	3.9
335.25745	3.0
349.23715	46.2
350.24124	2.2
351.25082	1.1
353.24774	0.9
365.23163	2.0
367.24734	8.5
381.19110	1.1
399.20151	2.1
413.21771	2.1
415.29684	0.9
423.27423	2.1
431.28040	2.0
433.30972	1.7
435.27533	3.3
445.29373	3.7
447.31018	1.2
449.28986	27.5
451.32132	1.9
463.30539	38.3
463.37073	1.9
464.31320	1.2
469.33337	1.2
503.33868	1.8
511.34027	1.2
513.35931	1.1
515.37335	2.2
519.32410	1.2
525.35870	6.4
527.37103	1.3
529.35352	12.8
543.36774	48.5
544.36658	1.3
547.36011	1.9
559.36676	1.2
561.37854	9.3
589.33197	1.1
607.34625	2.0
623.42938	8.7
641.43616	7.9
659.42413	1.4
687.40796	2.4
856.44232	5.7
871.73767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39874	0.9
61.02930	2.7
61.94617	1.0
65.03946	5.1
67.05509	89.2
69.03436	10.9
69.07073	41.5
69.31329	3.8
69.31760	5.1
70.06587	1.2
71.01357	1.0
71.02258	1.0
71.05001	8.3
71.08629	1.1
73.02937	1.6
79.05496	69.1
80.05819	1.3
81.03429	15.5
81.07060	100.0
83.04977	14.7
83.08627	19.7
85.02918	6.7
85.06528	4.4
86.09716	1.5
87.04467	1.2
91.03967	1.7
91.04909	2.2
91.05484	65.5
93.07049	79.2
95.04968	16.8
95.08614	49.6
97.02891	8.0
97.06543	19.0
97.10172	12.2
98.20829	2.7
99.04420	2.0
99.08073	4.3
101.02356	1.3
103.05466	2.3
105.04539	2.7
105.07037	52.0
107.04961	12.1
107.08598	50.0
109.02885	3.2
109.06524	9.9
109.10165	21.9
111.04514	1.1
111.08102	6.9
111.11739	1.2
113.09613	2.2
115.05462	4.2
116.06310	1.2
117.07026	25.1
119.08588	40.5
121.06503	9.6
121.09333	1.8
121.10149	26.6
123.04429	1.6
123.08059	5.4
123.11709	6.1
125.09643	10.6
127.03893	5.0
128.06239	3.1
129.05475	2.2
129.07019	11.7
130.07750	1.7
131.08577	34.9
133.06462	3.0
133.10141	32.5
135.08055	7.0
135.11697	23.4
137.09604	4.5
141.06961	5.4
142.07759	1.7
143.08545	11.9
145.04933	1.4
145.06479	3.0
145.10127	26.5
147.04387	1.3
147.08018	4.6
147.11691	17.4
149.09628	18.9
149.13261	15.8
151.11197	4.6
153.12727	1.2
154.07788	2.2
155.08533	4.7
157.10129	9.6
159.08081	3.2
159.11688	23.7
161.09633	3.4
161.13237	7.4
163.11198	13.1
163.14868	2.5
165.12762	3.1
167.08490	1.6
169.10136	7.5
171.11668	6.7
173.04428	3.8
173.09610	1.8
173.11795	2.1
173.13239	9.4
175.11176	3.6
175.14879	1.2
177.12708	6.8
179.10625	1.6
179.14311	6.5
181.10158	1.4
181.12259	2.1
183.11636	6.2
185.13266	4.3
187.11179	3.5
187.14781	3.0
189.11203	3.1
191.14278	2.0
195.11748	3.1
195.13802	7.3
197.13232	4.2
199.14886	3.1
201.12772	2.2
201.16487	1.8
209.13329	1.6
211.14883	1.9
213.16356	2.1
215.17833	2.0
217.12213	1.1
217.15800	1.3
225.16423	1.6
227.12752	10.6
227.17853	1.5
229.14316	2.5
229.19415	3.4
231.17227	1.1
233.15378	1.9
233.18983	1.5
235.17000	1.9
237.16489	1.3
239.18105	4.9
243.20917	2.6
245.13641	1.2
247.20581	3.3
251.16309	1.9
253.14337	1.9
255.15860	14.4
257.19025	12.0
259.20584	1.7
261.22073	6.5
267.15897	4.3
269.17502	38.3
273.18683	1.6
275.20087	50.3
285.14450	1.6
291.19431	1.6
293.17871	1.4
293.21094	4.2
295.68793	1.3
302.01218	1.0
303.15878	1.8
307.15305	3.4
313.21750	1.9
331.22681	4.8
335.25916	6.3
337.21411	1.1
349.23749	46.2
360.25443	1.4
367.24783	7.7
381.18942	2.0
399.20126	6.9
423.27219	2.2
433.30511	2.1
435.27341	3.0
437.30743	1.4
445.29401	3.0
449.29034	21.7
451.32254	2.8
463.30560	25.3
469.33008	1.5
479.29559	1.3
503.33264	2.5
511.34052	1.3
515.37500	1.9
519.33148	1.5
525.35907	5.5
527.37048	1.2
529.29333	1.1
529.35327	12.1
543.36877	40.9
544.37683	1.2
547.36664	1.8
561.37909	8.9
563.43146	1.2
607.34320	2.1
623.43237	9.8
641.43317	4.5
659.41986	4.4
856.54169	3.2
864.94452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.5
65.03960	3.6
67.05508	100.0
69.03429	3.8
69.07070	17.1
69.23116	4.4
70.55550	0.6
71.01358	1.5
71.04999	3.5
73.02906	2.8
74.49493	0.6
77.03896	0.7
79.05495	40.3
79.30584	0.5
81.03421	10.3
81.03867	0.9
81.07059	60.5
82.07394	0.6
83.01346	0.7
83.04978	5.4
83.08624	15.1
85.02908	12.7
85.06542	3.2
87.04465	4.4
91.03983	0.8
91.04897	0.9
91.05486	25.4
93.07045	41.1
95.04977	5.0
95.08610	41.4
97.02905	4.8
97.06524	5.3
97.10175	15.2
99.04463	0.9
99.08097	1.4
103.03953	1.2
103.05457	0.6
105.04565	1.0
105.07037	15.0
107.04977	2.4
107.08598	25.3
109.06518	2.5
109.10160	59.6
111.04442	1.3
111.08096	4.4
111.11765	0.8
113.09652	0.6
115.05473	1.0
116.04704	0.7
117.07017	7.8
119.06099	0.6
119.08588	14.8
121.06456	0.9
121.10147	18.4
123.08057	3.3
123.11706	4.4
125.09637	14.8
127.03926	0.8
127.11217	0.5
129.05460	2.3
129.07007	1.5
131.08578	9.9
133.06494	0.7
133.10132	8.8
135.08023	1.5
135.11691	12.8
137.09625	4.0
137.13242	1.5
139.11171	1.2
141.09131	0.5
143.07025	0.6
143.08594	1.0
143.10692	3.3
145.06445	0.8
145.10132	8.6
147.08096	1.3
147.11694	5.9
149.09618	1.8
149.13235	5.8
151.11191	0.8
153.12740	3.4
155.08586	0.8
155.10692	3.6
157.08621	0.8
157.10118	1.6
159.11708	4.8
161.13277	4.0
163.11208	7.4
163.14848	3.1
165.12813	0.5
171.11626	1.2
173.09634	1.3
173.11748	13.9
173.13280	5.2
175.11220	1.0
175.14845	1.3
177.16402	1.1
181.12285	2.3
185.11736	0.7
185.13297	0.7
187.14838	2.5
189.11209	1.0
189.16377	0.8
191.10715	1.6
193.12234	2.2
195.11873	0.5
195.13811	0.6
196.85043	0.6
198.32501	0.6
199.13300	6.2
201.12746	0.7
201.16383	0.8
205.79601	0.6
209.11691	5.2
211.13263	0.9
217.14307	1.1
227.12764	6.0
229.14357	40.7
243.21107	4.6
245.13817	1.0
257.13904	1.2
259.20584	1.7
261.22147	13.1
267.15900	3.5
277.21738	1.1
279.23373	0.7
279.27383	0.6
283.15396	2.1
285.17145	1.0
299.23688	1.1
301.16470	13.0
309.22510	0.6
315.23029	0.9
317.24896	2.5
327.23267	0.9
333.24219	0.6
335.25806	72.0
336.26016	1.1
363.25061	0.9
399.23834	12.3
444.95764	0.5
459.34592	1.6
469.33301	0.8
477.35822	5.4
489.35815	17.0
511.99463	0.7
525.35944	0.7
543.36591	2.7
561.37958	6.0
579.38629	2.3
659.33960	1.1
659.45129	21.0
670.04321	0.6
818.59497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	71.6
65.03938	1.4
67.05511	53.9
69.03427	9.7
69.07080	9.4
70.06620	2.9
71.04991	3.3
71.08636	1.4
71.51544	1.6
72.41854	1.5
73.02918	27.0
79.05078	2.5
79.05500	30.8
81.03407	6.3
81.07064	68.6
83.04996	1.6
83.08619	5.1
84.08132	2.9
85.02913	100.0
85.06537	4.0
87.04466	1.5
91.03964	84.9
91.05495	18.5
93.06481	2.6
93.07051	44.8
95.04943	4.2
95.08614	52.0
96.42936	1.4
97.02901	53.8
97.06542	3.6
97.10170	3.2
99.04446	6.0
101.02423	1.7
103.03956	2.3
105.07048	14.2
106.07360	1.7
107.04924	1.6
107.08601	30.0
109.02889	4.2
109.10164	33.4
111.08109	2.5
111.11682	1.7
115.03945	4.6
117.07062	9.2
117.07767	1.9
119.08586	15.3
121.10150	29.5
123.11720	14.8
125.09599	1.8
127.03932	35.2
131.08577	17.9
133.10123	13.5
135.08125	1.5
135.11705	24.9
137.09596	3.2
137.13229	5.2
145.04976	54.8
145.10141	14.7
147.11703	11.4
149.09584	1.9
149.13287	18.6
150.05652	1.4
154.37279	1.4
159.11707	11.9
161.13269	9.9
163.06036	94.7
163.14821	16.3
171.11734	1.7
173.13290	13.2
175.14867	4.9
177.12770	1.5
177.16393	6.6
179.14308	1.8
187.14871	7.2
201.16377	2.2
205.15878	2.9
233.22620	3.7
243.18805	2.8
243.21115	33.5
248.46826	1.4
261.22168	91.9
279.23141	4.9
325.11487	7.4
335.25839	37.1
353.26898	87.9
353.30197	1.3
354.27286	2.5
497.30850	10.5
587.76886	1.9
856.46930	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	61.4
65.03932	3.3
67.05505	69.7
69.03421	8.1
69.07068	9.8
70.06585	2.6
71.04982	3.7
71.08656	1.2
71.51046	1.3
72.97061	1.0
73.02914	25.3
75.64693	1.0
79.05493	35.7
81.03408	3.9
81.07055	80.3
82.07363	1.3
83.04981	3.0
83.08601	6.7
84.08149	1.2
85.02905	82.3
85.06554	1.9
86.09694	1.7
91.03955	71.6
91.05476	21.1
93.07042	50.5
95.04964	3.3
95.08610	63.1
97.02894	38.5
97.03528	1.9
97.06522	3.2
97.10167	3.5
99.04453	5.3
99.08099	1.7
101.02398	1.4
103.03950	2.1
104.75744	1.3
105.07027	18.0
107.08595	33.5
109.02870	2.3
109.06519	2.4
109.10154	32.0
111.08073	2.0
111.11722	1.4
113.09647	2.6
115.03927	4.7
115.05547	1.3
117.07028	6.8
119.05980	1.3
119.08585	18.8
121.06490	1.8
121.10147	35.6
123.08067	1.8
123.11713	16.5
127.02979	1.8
127.03918	28.0
129.06966	1.2
131.08574	18.9
133.10143	13.2
135.10710	1.8
135.11694	25.1
137.09607	1.9
137.13235	6.3
139.11075	1.2
143.08582	2.3
145.04961	39.3
145.10124	15.6
147.11691	11.9
149.09499	1.3
149.12064	1.2
149.13260	22.7
151.11194	2.5
151.14815	2.6
154.12213	1.0
159.11684	12.2
161.13246	8.8
163.06021	78.3
163.11205	2.0
163.14804	15.5
165.12755	3.1
173.13261	15.4
175.14824	3.4
177.12692	2.2
177.16379	5.2
179.14310	2.2
187.14822	7.2
191.14322	1.4
195.13812	1.7
201.16347	3.1
205.15881	1.6
233.22643	2.8
243.21092	35.6
261.22141	100.0
263.23581	1.2
279.23218	6.2
307.10168	1.2
325.11288	6.8
335.25778	37.2
353.26855	84.4
354.27240	1.8
480.03708	1.2
497.30991	9.7
505.19699	1.3
515.55737	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5829
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.9
67.05503	8.7
69.03439	1.7
69.07068	5.8
69.31767	3.5
71.04988	0.9
71.08632	34.9
73.02918	2.1
73.06554	4.6
77.03951	0.5
79.05493	7.1
81.03419	1.6
81.07059	8.7
83.04984	1.8
83.08614	2.7
85.09666	0.9
85.10181	19.7
87.03673	0.6
87.04468	32.4
89.06029	100.0
90.06346	0.5
91.05476	18.6
91.07590	0.9
93.07041	12.1
95.04973	2.6
95.08592	5.1
97.02855	0.5
97.06524	1.2
97.10169	1.8
103.05493	1.2
105.07028	10.8
107.04967	5.3
107.07057	1.5
107.08595	9.6
109.02798	0.6
109.06558	0.9
109.10161	5.0
113.00626	0.5
113.06001	0.9
115.05442	0.9
115.07594	0.5
115.57140	0.4
117.07011	3.7
117.09147	2.8
119.04929	2.4
119.08576	8.1
121.06503	16.9
121.10114	3.7
122.03632	0.6
123.04433	0.6
123.08088	1.7
123.11703	1.3
125.09659	1.7
126.52053	0.4
127.14828	1.6
129.07016	1.3
130.08652	3.0
130.09506	0.4
131.06059	0.5
131.07047	14.0
131.08519	4.2
133.06494	1.5
133.08601	68.7
133.10049	6.5
135.08069	7.1
135.11728	3.1
137.09561	0.8
143.08582	0.6
145.06445	0.6
145.10109	3.4
147.08047	9.2
147.11694	1.5
149.09622	6.8
149.13214	0.6
150.06741	2.7
151.11133	2.7
152.05748	0.7
157.08678	1.0
157.10141	1.0
159.10249	0.6
159.11671	2.2
161.06111	0.5
161.09639	1.0
161.11784	1.2
161.13187	0.9
163.07646	0.7
163.11150	4.9
163.14856	0.6
164.08351	1.3
165.09109	4.4
167.10611	1.3
171.11700	0.8
171.74886	0.5
173.09633	0.6
173.13214	1.0
175.09689	10.4
175.11180	1.4
177.11227	25.0
177.12646	1.5
179.10686	0.8
189.09262	0.7
189.11163	1.0
189.12822	0.6
191.10631	4.0
191.14305	0.8
193.12265	2.1
207.13773	0.7
209.11743	2.4
211.13286	3.0
217.12238	0.5
219.12224	3.2
221.13837	6.1
223.15401	0.6
227.12807	3.0
229.14354	0.5
235.13263	3.3
237.15039	0.6
239.14993	0.8
245.19032	1.3
247.20570	16.8
253.14339	9.1
255.15714	2.2
257.18994	0.9
261.22092	1.0
265.16504	2.2
273.18500	2.0
273.22125	3.7
275.20047	3.6
279.15948	1.6
283.17529	1.3
289.21722	1.1
289.25235	1.5
291.19632	2.3
291.23135	24.6
299.18515	1.5
309.19217	0.7
317.24860	2.9
323.18695	0.7
327.20193	1.0
333.24313	0.9
335.25827	8.8
343.21179	0.9
349.23682	2.9
353.21771	0.9
365.23166	2.0
397.24225	0.9
423.23813	0.7
545.34375	1.4
559.36023	1.1
621.40759	0.9
639.42737	3.3
657.41199	0.7
837.55939	5.3
854.58527	11.6
855.56927	0.6
877.55652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42088	0.9
61.02916	3.0
65.03928	3.7
67.05507	72.4
69.03434	13.2
69.07072	43.8
69.07401	0.7
69.07458	1.2
70.85685	2.5
71.01328	1.2
71.05007	5.4
73.02898	1.5
74.46207	0.9
77.03960	1.2
79.05496	57.2
81.03426	12.9
81.07060	74.0
82.07368	1.1
83.04982	11.9
83.08620	17.5
85.02908	5.4
85.06554	5.1
86.99925	0.9
91.03959	1.4
91.05483	54.1
93.07048	54.6
95.04974	16.2
95.08611	33.6
97.02893	12.7
97.06532	14.1
97.10175	16.3
99.04452	1.3
99.08070	1.9
103.05472	2.5
105.04531	1.5
105.07035	40.8
107.04958	15.1
107.08601	40.8
108.79931	0.9
109.02841	1.7
109.06525	8.5
109.10159	23.3
111.04439	2.2
111.08105	4.8
113.09633	1.3
115.05451	2.3
116.06221	1.5
117.07015	18.4
119.04974	1.6
119.08587	27.0
121.02858	1.1
121.06501	8.2
121.10144	16.7
121.10937	1.5
123.04426	1.7
123.08088	6.6
123.11734	5.3
125.09633	11.0
127.03883	2.9
127.07538	0.9
128.06215	2.8
129.05476	1.9
129.06975	8.2
130.07755	2.1
131.08571	21.4
133.06516	5.9
133.10130	33.0
135.08052	6.5
135.11702	12.0
137.09616	5.1
137.13199	0.9
139.07539	1.1
139.11244	1.2
141.06947	1.6
143.08534	8.5
145.06435	2.6
145.10129	13.6
147.08058	7.2
147.11714	9.9
149.09615	10.4
149.13271	9.5
151.11194	8.5
153.09096	1.8
153.40167	1.2
155.08569	2.7
156.09396	1.5
157.10091	6.3
159.11705	11.9
161.09624	5.5
161.13300	3.6
163.11195	8.6
165.09065	2.1
169.10127	2.9
169.12248	3.3
171.10248	1.5
171.11679	4.4
173.04472	1.8
173.09599	1.2
173.11932	1.0
173.13188	5.0
175.11206	2.7
175.14806	1.5
177.09125	1.2
177.12761	4.0
179.10686	2.0
179.14311	2.6
181.10091	1.1
181.12288	1.4
183.11690	2.5
185.09598	1.1
185.13225	2.4
187.11195	1.1
187.14801	1.4
189.11211	5.3
189.12646	1.4
193.12277	2.3
195.13770	5.2
197.13196	1.8
199.11258	1.1
199.14822	1.8
201.12683	1.3
205.12244	2.6
209.13196	1.2
223.13303	17.7
227.12819	7.9
229.14374	1.9
229.19566	1.2
233.15326	1.4
235.13158	1.0
239.17923	1.8
245.19063	1.7
246.61624	1.1
247.20547	1.3
249.14902	3.6
253.14374	20.3
255.15744	6.0
257.18903	5.5
263.19962	1.0
267.15845	2.5
269.17477	34.9
271.15274	1.3
273.18506	21.7
275.20099	19.8
291.19550	100.0
293.20993	1.5
309.20660	1.6
321.24030	1.0
331.22903	1.6
335.25858	1.4
347.22046	5.0
349.23743	18.9
365.23251	55.5
367.24780	3.3
372.01132	1.0
461.28854	2.3
465.28391	2.6
479.30179	2.2
519.33240	1.8
527.33551	1.8
536.12305	1.0
541.35492	5.6
545.34753	20.9
559.36316	82.9
560.36365	2.7
599.39276	1.5
621.41156	2.2
639.42621	21.7
657.43695	5.4
682.34314	1.5
703.40363	2.2
854.45856	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	854.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	1.6
63.98706	0.6
65.03940	3.5
67.05506	47.6
69.03088	0.8
69.03430	12.0
69.07069	39.8
69.34523	2.3
69.34946	3.0
73.02916	1.1
77.03901	1.2
79.05493	46.8
81.02982	1.0
81.03422	10.8
81.07055	46.9
83.04985	9.2
83.08151	1.0
83.08617	12.0
85.02899	4.4
85.06523	2.6
88.85194	0.6
91.05481	38.3
93.07045	36.8
93.07641	1.6
95.01304	0.9
95.04387	0.7
95.04974	11.1
95.08604	23.5
97.02890	11.7
97.06528	11.7
97.10165	18.0
99.04431	0.9
99.08074	1.7
103.05456	1.1
105.03377	1.0
105.04496	1.7
105.06310	1.1
105.07034	31.5
107.04963	11.5
107.08595	32.4
109.02837	2.1
109.06500	5.5
109.10156	17.4
111.04421	1.5
111.08095	4.0
113.09663	1.1
115.05431	2.2
116.04565	0.7
116.06224	1.0
117.07021	14.4
119.04929	2.5
119.08586	23.9
121.06514	6.2
121.10138	11.9
123.04380	1.4
123.08089	4.7
123.11697	2.5
125.05993	1.4
125.09628	12.7
127.03917	3.2
128.06256	1.2
129.05493	0.9
129.06993	7.6
130.07787	1.3
131.08566	17.1
132.04431	0.9
133.06529	3.9
133.10132	17.2
134.05991	1.2
134.07199	0.8
135.08061	6.1
135.11697	8.2
137.09583	3.9
141.06982	2.0
142.07755	1.1
143.08575	5.9
143.10715	0.6
145.06490	1.4
145.08925	0.8
145.10120	14.2
147.08047	7.0
147.11694	7.9
149.09630	12.3
149.13249	5.8
151.07500	0.9
151.11183	3.1
152.05676	2.0
152.06964	0.7
153.09084	1.9
155.08575	1.9
157.10130	6.5
159.08092	1.7
159.11710	9.2
161.09618	4.2
161.13290	3.7
162.10327	1.1
163.11176	9.0
163.14812	0.7
165.09106	2.7
165.12747	0.9
169.10149	2.5
169.12253	1.4
171.10216	1.4
171.11691	4.0
173.04443	1.0
173.09593	1.5
173.11870	1.3
173.13263	4.3
175.11201	3.3
175.14859	1.2
177.12756	3.6
179.10649	1.9
179.14296	1.9
181.12198	1.5
183.11685	2.0
185.13245	2.2
187.11206	1.3
187.13266	0.8
187.14850	1.5
189.11220	7.4
189.12724	1.7
193.12219	1.1
195.11720	1.0
195.13789	2.2
197.13283	2.6
199.11307	1.0
199.14769	1.5
205.12244	2.8
209.13353	0.8
215.14429	1.0
223.13284	18.5
227.12796	21.1
227.17888	1.5
229.14128	1.4
229.19456	1.9
230.15367	0.8
233.15361	1.1
239.17958	3.2
245.19055	1.1
247.20699	1.2
249.14883	3.0
253.14293	3.9
255.15616	4.0
257.19028	7.5
263.20099	1.0
267.15863	2.3
269.14948	1.0
269.17529	11.1
272.85739	0.9
273.18497	16.6
275.20074	27.0
291.19537	100.0
292.19824	1.5
293.21066	1.8
309.20621	1.6
322.16525	2.1
331.22638	2.6
335.25772	3.5
340.17572	1.0
347.22247	2.7
349.23730	28.3
365.23236	43.9
367.24683	1.7
381.20490	0.9
396.20334	1.0
413.21402	1.5
461.28983	2.0
467.32480	0.7
519.33167	1.7
535.32581	2.8
541.35870	3.8
543.36682	1.4
545.26843	1.0
545.34692	11.9
559.36298	37.4
599.39410	2.5
611.43091	0.8
621.41089	3.9
639.42480	37.3
656.41248	2.3
657.43793	4.2
674.42316	2.0
847.41345	0.8
854.44794	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	854.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.6
65.03937	6.7
66.66760	1.3
67.05507	78.5
69.03434	9.5
69.07072	31.3
70.56560	3.3
71.05002	7.1
71.08636	37.2
73.02894	2.8
73.06534	3.3
77.03899	2.0
79.05497	56.6
81.03419	15.5
81.07059	91.6
83.04989	18.7
83.08620	14.5
85.02885	4.5
85.06548	8.3
85.10184	17.1
87.04475	30.2
89.06036	90.4
91.05483	89.6
91.05981	1.1
91.06080	1.4
93.07047	65.1
93.07637	3.4
95.04979	17.8
95.08612	36.8
97.02866	4.3
97.06522	15.3
97.10164	4.7
99.04473	3.0
100.54326	1.4
103.05466	5.2
105.04508	2.3
105.07037	66.1
107.04962	20.5
107.08598	50.1
109.02871	2.7
109.06534	11.9
109.10156	47.3
110.91853	1.3
111.04469	2.6
111.08083	6.4
112.75221	1.4
113.05992	4.4
113.09655	1.2
115.05450	3.2
117.07021	19.3
117.09143	1.8
119.04919	5.5
119.08584	30.5
121.06508	23.7
121.07359	1.5
121.09464	1.4
121.10156	15.8
123.04449	1.7
123.08088	8.0
123.11712	9.3
125.09638	3.5
127.03873	2.8
127.07555	2.0
127.14757	1.6
127.15578	1.4
128.06248	1.9
129.05478	1.6
129.06987	8.5
130.08635	3.5
131.07068	13.9
131.08554	19.7
133.06477	4.9
133.08586	63.3
133.10118	71.8
135.08054	16.5
135.11702	14.5
136.24548	1.1
137.02255	1.5
137.09598	3.7
139.07510	2.2
141.06990	1.8
142.07793	2.0
143.08577	7.8
145.06461	3.3
145.10127	17.1
147.08040	10.0
147.11696	10.1
147.64574	1.3
149.09625	19.7
149.13281	6.9
150.06747	1.2
151.07498	1.3
151.11185	31.8
152.05597	1.7
155.08527	3.0
157.10161	7.3
159.08075	2.6
159.11708	13.3
161.09624	9.4
161.11864	1.5
161.13319	4.3
163.07588	1.7
163.11194	10.7
165.09114	5.9
165.12820	1.7
167.08482	1.3
167.10683	2.3
169.10115	2.4
169.12222	4.8
171.08047	1.4
171.11665	4.8
173.09630	3.3
173.13271	4.4
175.09639	10.6
175.11174	4.2
177.11218	25.6
177.12744	4.6
179.10684	2.6
179.14296	2.5
183.11623	3.8
185.13257	2.0
187.11067	1.9
187.14748	2.5
189.11209	2.3
189.12747	1.7
191.10672	5.5
193.12228	3.6
195.13788	3.0
197.13202	1.8
207.13698	1.7
209.11646	3.0
211.13144	2.5
215.12727	3.0
216.40211	1.4
219.12196	3.6
221.13802	5.6
227.12733	4.5
235.13326	4.1
239.17944	2.3
245.19006	5.6
247.20563	16.9
251.12721	1.9
253.14359	100.0
255.15668	7.6
257.19052	5.3
263.20120	3.7
267.15750	1.9
269.17484	14.1
271.15393	3.8
273.18530	23.5
273.22028	4.4
275.17215	1.0
275.20047	23.7
275.22885	2.5
279.15878	1.8
291.19510	23.6
291.23157	23.3
302.44199	1.6
309.20804	1.8
317.24783	2.8
333.24255	1.6
335.25885	7.6
347.22189	10.3
349.23734	20.3
365.23254	30.7
367.24969	3.0
447.27246	5.4
451.26505	3.0
465.28564	10.5
527.33582	4.3
541.35455	6.9
545.34723	22.5
559.36346	45.5
569.32458	1.8
621.41565	3.0
639.42548	17.7
649.30103	1.6
657.43182	6.2
674.45081	1.6
837.54919	4.8
854.59045	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	854.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.6
65.03937	6.7
66.66760	1.3
67.05507	78.5
69.03434	9.5
69.07072	31.3
70.56560	3.3
71.05002	7.1
71.08636	37.2
73.02894	2.8
73.06534	3.3
77.03899	2.0
79.05497	56.6
81.03419	15.5
81.07059	91.6
83.04989	18.7
83.08620	14.5
85.02885	4.5
85.06548	8.3
85.10184	17.1
87.04475	30.2
89.06036	90.4
91.05483	89.6
91.05981	1.1
91.06080	1.4
93.07047	65.1
93.07637	3.4
95.04979	17.8
95.08612	36.8
97.02866	4.3
97.06522	15.3
97.10164	4.7
99.04473	3.0
100.54326	1.4
103.05466	5.2
105.04508	2.3
105.07037	66.1
107.04962	20.5
107.08598	50.1
109.02871	2.7
109.06534	11.9
109.10156	47.3
110.91853	1.3
111.04469	2.6
111.08083	6.4
112.75221	1.4
113.05992	4.4
113.09655	1.2
115.05450	3.2
117.07021	19.3
117.09143	1.8
119.04919	5.5
119.08584	30.5
121.06508	23.7
121.07359	1.5
121.09464	1.4
121.10156	15.8
123.04449	1.7
123.08088	8.0
123.11712	9.3
125.09638	3.5
127.03873	2.8
127.07555	2.0
127.14757	1.6
127.15578	1.4
128.06248	1.9
129.05478	1.6
129.06987	8.5
130.08635	3.5
131.07068	13.9
131.08554	19.7
133.06477	4.9
133.08586	63.3
133.10118	71.8
135.08054	16.5
135.11702	14.5
136.24548	1.1
137.02255	1.5
137.09598	3.7
139.07510	2.2
141.06990	1.8
142.07793	2.0
143.08577	7.8
145.06461	3.3
145.10127	17.1
147.08040	10.0
147.11696	10.1
147.64574	1.3
149.09625	19.7
149.13281	6.9
150.06747	1.2
151.07498	1.3
151.11185	31.8
152.05597	1.7
155.08527	3.0
157.10161	7.3
159.08075	2.6
159.11708	13.3
161.09624	9.4
161.11864	1.5
161.13319	4.3
163.07588	1.7
163.11194	10.7
165.09114	5.9
165.12820	1.7
167.08482	1.3
167.10683	2.3
169.10115	2.4
169.12222	4.8
171.08047	1.4
171.11665	4.8
173.09630	3.3
173.13271	4.4
175.09639	10.6
175.11174	4.2
177.11218	25.6
177.12744	4.6
179.10684	2.6
179.14296	2.5
183.11623	3.8
185.13257	2.0
187.11067	1.9
187.14748	2.5
189.11209	2.3
189.12747	1.7
191.10672	5.5
193.12228	3.6
195.13788	3.0
197.13202	1.8
207.13698	1.7
209.11646	3.0
211.13144	2.5
215.12727	3.0
216.40211	1.4
219.12196	3.6
221.13802	5.6
227.12733	4.5
235.13326	4.1
239.17944	2.3
245.19006	5.6
247.20563	16.9
251.12721	1.9
253.14359	100.0
255.15668	7.6
257.19052	5.3
263.20120	3.7
267.15750	1.9
269.17484	14.1
271.15393	3.8
273.18530	23.5
273.22028	4.4
275.17215	1.0
275.20047	23.7
275.22885	2.5
279.15878	1.8
291.19510	23.6
291.23157	23.3
302.44199	1.6
309.20804	1.8
317.24783	2.8
333.24255	1.6
335.25885	7.6
347.22189	10.3
349.23734	20.3
365.23254	30.7
367.24969	3.0
447.27246	5.4
451.26505	3.0
465.28564	10.5
527.33582	4.3
541.35455	6.9
545.34723	22.5
559.36346	45.5
569.32458	1.8
621.41565	3.0
639.42548	17.7
649.30103	1.6
657.43182	6.2
674.45081	1.6
837.54919	4.8
854.59045	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	854.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	17.1
65.03938	1.8
67.05511	87.9
69.03420	6.8
69.07078	16.4
70.06599	12.2
70.72585	4.3
71.01355	2.3
71.04984	7.0
72.08160	3.7
73.02911	6.9
75.57663	1.7
79.05496	37.4
81.03431	12.7
81.07063	65.3
81.07535	4.1
83.05005	9.9
83.08631	18.8
84.04530	2.0
84.08147	5.5
85.02911	23.0
85.06548	5.6
86.09699	5.0
87.04439	2.8
89.23244	2.1
91.03966	13.2
91.04975	2.4
91.05493	25.6
93.07049	38.9
95.04982	10.9
95.08607	18.6
97.02918	11.2
97.06527	9.0
97.10171	11.3
99.04468	3.8
99.08109	2.0
105.07037	12.2
107.04941	3.7
107.08599	23.6
109.06542	4.1
109.10161	46.7
110.07131	2.3
111.04469	2.1
111.08089	6.9
113.87733	1.6
117.07040	8.3
119.08614	10.2
120.08145	3.5
121.06519	4.1
121.10162	9.9
123.11731	4.7
125.09648	10.9
127.03932	6.8
129.05489	4.7
129.10231	3.3
131.08571	10.6
131.09398	1.8
133.10141	11.9
135.08047	4.0
135.11699	11.7
137.09608	3.8
145.04948	5.9
145.10104	6.7
147.11681	5.3
149.09647	3.1
149.13266	11.7
153.12759	3.1
155.10687	1.8
159.11688	7.3
163.06029	7.3
163.11182	5.0
165.12727	2.0
173.11736	10.4
175.11339	2.1
177.12817	4.9
181.12248	3.2
191.10678	3.0
193.12164	1.9
195.13792	12.1
199.13326	5.8
209.11714	4.7
211.13342	2.2
227.12793	7.0
228.30759	1.9
229.14371	45.2
257.13782	5.6
267.15820	12.2
269.17511	64.5
283.15399	7.7
301.16495	19.2
349.30341	1.8
393.26349	3.0
411.27524	5.1
423.27515	51.3
437.28909	3.2
449.29129	3.1
463.30750	2.2
477.28433	4.7
495.29428	100.0
496.29944	2.3
513.30664	26.2
723.18884	2.0
843.98621	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	853.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	7.9
67.05507	7.7
69.03431	4.9
69.07076	1.5
71.01372	0.5
71.04994	0.6
73.02924	5.5
79.05492	3.3
81.03419	2.9
81.07066	5.4
83.04967	0.6
83.08645	1.0
85.02908	7.8
85.03382	0.6
85.06567	0.5
87.04470	0.5
91.03959	5.5
91.05478	2.8
93.07045	4.2
95.04990	1.3
95.08617	3.6
97.02898	8.9
97.06553	0.4
97.10184	0.5
99.04453	1.8
101.02375	2.2
103.03971	0.5
105.07036	1.9
107.08612	2.0
109.02895	1.3
109.06535	0.4
109.10159	5.8
111.04439	0.4
115.03944	0.8
117.07050	0.7
119.08589	1.3
121.10183	1.9
123.08067	0.5
123.11732	0.4
127.03921	3.0
131.08598	1.0
133.10161	1.0
135.08099	0.6
135.11754	1.0
145.05084	0.4
145.10153	0.8
147.11726	0.4
149.13301	0.7
152.36333	0.3
159.11703	0.5
161.09743	0.5
161.13254	0.4
173.11769	1.1
181.39894	0.3
183.74507	0.3
185.04271	1.0
195.09981	0.7
203.05392	0.9
229.07341	0.4
229.14436	1.0
243.08374	2.3
253.14468	0.4
275.20206	0.4
291.19617	0.9
335.25931	1.5
347.09494	3.2
349.24173	0.4
363.09244	0.7
365.10587	1.2
365.23401	0.6
405.13657	6.6
413.17807	6.5
519.29303	8.0
559.36920	0.5
575.23083	4.9
681.34534	8.1
691.40057	2.0
727.99829	0.4
853.45563	100.0
854.46204	2.9
855.85870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	14.6
65.03942	1.8
67.05510	77.6
69.03439	6.3
69.07076	15.3
70.06593	3.2
70.69813	2.8
70.70135	1.0
70.95746	1.1
71.01363	2.0
71.04989	4.5
73.02940	5.7
79.05496	32.2
79.54277	0.9
81.03419	15.3
81.07061	56.5
83.04987	8.2
83.08626	20.3
84.08116	2.1
85.02911	24.4
85.06545	5.8
86.09711	1.5
87.04463	3.3
91.03972	9.7
91.05485	21.9
93.07048	33.0
95.04992	5.4
95.08614	18.2
97.02898	12.8
97.06525	8.8
97.10162	11.8
99.04486	1.3
99.08097	1.7
103.03934	2.2
105.07025	11.3
107.04950	4.0
107.08604	25.0
109.06517	2.4
109.10162	44.4
111.04481	1.5
111.08085	6.2
113.05976	1.5
115.03999	1.3
116.04760	1.5
117.07021	6.2
119.08597	11.4
121.06513	3.1
121.10150	9.4
123.08071	2.8
123.11734	2.9
125.09647	10.2
127.03869	5.9
129.05510	5.3
129.07011	3.5
131.08583	10.1
133.10127	10.0
135.08047	1.8
135.11674	7.9
137.09627	3.0
145.04964	6.9
145.10149	5.1
147.08041	1.9
147.11697	5.5
149.13278	9.3
151.11169	1.6
153.12717	3.8
155.08659	1.5
155.10658	5.1
157.10063	1.8
159.11671	5.6
163.06038	6.4
163.11156	6.9
165.12773	3.3
173.04478	2.1
173.09587	1.8
173.11754	12.2
175.11255	2.0
177.12756	3.9
181.12244	2.1
185.11682	1.5
191.10678	3.4
193.12303	4.2
195.13803	10.5
199.13203	5.4
209.11757	7.3
211.13316	4.8
213.14774	1.3
227.12804	8.6
228.16243	1.3
229.14355	41.9
239.16472	7.1
257.13892	1.5
267.15958	13.5
269.17480	44.1
283.15390	7.0
285.16992	2.9
295.19342	1.3
301.16449	20.1
313.16382	2.3
323.18677	1.5
339.22488	1.2
393.26221	2.9
411.27191	5.6
423.27380	37.1
431.27780	3.3
439.26953	1.3
449.29282	3.5
459.27429	2.0
477.28296	4.2
478.01718	1.5
495.29565	100.0
496.29892	2.2
513.30609	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	5.0
64.36607	0.5
65.03960	0.6
67.05508	9.6
69.03426	4.8
69.07073	1.4
71.05005	1.0
72.78819	0.5
73.02921	4.2
79.05491	3.1
81.03425	2.8
81.07059	5.6
83.04962	0.6
83.08624	1.5
85.02908	7.0
87.04488	0.6
91.03962	3.1
91.05478	2.7
93.06553	0.5
93.07028	2.7
95.04987	0.9
95.08611	2.7
97.02895	6.3
99.04449	1.5
101.02396	2.1
105.07066	2.1
107.04953	0.6
107.08605	1.5
109.02895	1.5
109.10164	6.8
115.03931	0.6
117.07008	1.1
119.08634	1.6
121.06515	0.8
121.10191	1.3
127.03905	2.8
129.62547	0.5
131.08591	1.0
133.10156	1.6
135.11702	1.1
137.09557	0.5
145.04961	0.7
145.10184	0.7
147.11662	0.5
149.09660	0.7
155.10721	0.6
173.11757	1.8
185.04227	1.4
191.98318	0.5
195.09952	1.2
195.17014	0.5
203.05305	0.8
214.68549	0.5
219.39485	0.5
229.03517	0.6
229.14421	1.8
243.08475	1.7
273.18689	0.5
275.20081	0.5
291.19611	1.0
335.25992	1.5
347.09546	2.4
365.10669	0.9
405.13730	6.4
413.17816	11.1
519.29114	5.1
575.23132	9.5
656.41864	0.7
681.34473	4.9
691.40350	2.1
853.45526	100.0
854.46252	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	852.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	3.1
67.05510	46.4
69.03088	0.9
69.03430	9.3
69.07074	26.4
71.05000	5.1
73.06564	0.8
76.27993	0.7
77.03876	1.4
78.68622	0.8
78.70325	0.8
79.05499	29.1
81.03075	0.7
81.03437	7.8
81.07061	37.9
83.04992	8.4
83.08628	9.6
84.08144	1.2
85.02891	2.2
85.06528	3.2
87.04445	0.7
91.05487	37.1
93.07049	32.3
93.07639	1.4
95.01322	1.0
95.04979	9.6
95.08609	15.5
97.02886	5.2
97.06526	4.6
97.10172	9.2
99.04457	1.4
99.08091	1.0
103.05447	1.2
105.04543	0.9
105.07040	35.1
107.04286	1.1
107.04961	9.4
107.08604	26.7
108.05724	1.0
109.02894	1.3
109.06542	5.2
109.10165	33.5
111.04446	1.0
111.08093	3.5
112.04092	0.7
112.49798	0.7
113.06037	1.4
115.05433	0.9
117.07025	8.7
119.04961	1.5
119.07820	1.0
119.08604	12.6
119.09441	0.7
121.06519	7.8
121.10151	7.4
123.04418	2.0
123.08083	5.8
123.11726	5.5
125.09637	7.8
127.03945	1.3
127.07573	1.8
128.06227	1.8
129.06995	5.4
130.07768	0.9
130.08636	1.4
131.08572	11.6
133.06485	6.3
133.10138	40.8
135.04356	0.9
135.08072	7.5
135.11713	4.6
137.09590	2.5
139.07578	1.1
141.07025	0.8
143.08575	6.2
145.06487	1.9
145.10132	7.4
147.08052	7.9
147.11681	3.8
149.09615	4.8
149.13232	1.8
151.11198	19.1
153.09084	1.4
155.08620	1.2
157.10118	3.4
159.08081	1.9
159.11723	4.5
161.09589	5.2
161.13245	1.6
163.11194	2.1
165.09190	2.0
165.12761	1.1
169.10187	1.3
169.12254	4.4
171.11700	3.4
173.13298	0.9
175.11224	4.7
177.09129	1.7
177.12750	1.6
179.10701	2.5
185.13354	1.3
187.11150	0.8
189.11230	3.8
189.12776	1.3
191.10551	1.1
193.12331	0.9
195.13754	1.1
205.12236	1.2
215.12727	1.9
223.13322	12.8
227.12801	4.4
227.17815	0.8
229.14442	2.1
237.16608	1.4
245.19041	2.4
249.14844	3.5
251.12910	1.9
253.14369	84.2
255.17357	1.9
263.19995	2.2
267.16010	1.3
273.18515	30.8
291.19553	100.0
292.19879	0.9
309.20615	2.4
329.21149	0.9
335.25818	1.9
341.61908	0.8
347.22159	9.6
365.23245	53.2
423.23975	1.3
456.13934	1.0
543.33057	3.8
557.34802	1.4
559.32465	1.5
561.34241	25.3
575.35712	1.9
637.41089	9.2
655.42108	37.0
672.45056	1.3
809.26184	0.8
852.53943	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	0.5
65.03943	1.6
67.05507	19.8
69.03432	8.1
69.07071	22.9
70.06525	0.4
71.04951	0.9
77.03917	0.5
79.05495	18.1
81.03423	3.9
81.07059	16.5
83.04981	3.7
83.08627	7.1
85.02872	0.9
85.06499	0.8
91.05485	14.9
93.07047	13.4
94.04164	0.7
95.01315	0.7
95.04382	0.5
95.04959	6.1
95.08612	7.1
97.02898	8.7
97.06023	0.3
97.06519	2.9
97.10175	11.1
99.08055	0.3
101.09603	0.4
103.05449	0.4
105.04514	0.3
105.07034	11.1
107.04202	0.4
107.04956	7.4
107.07905	0.6
107.08597	10.0
108.05704	0.4
109.02890	0.5
109.06520	2.5
109.09495	0.4
109.10158	5.9
111.04401	0.8
111.08088	1.8
115.05426	0.9
116.06169	0.5
117.07024	5.8
119.04927	1.4
119.08583	9.9
120.05673	0.6
121.06497	2.9
121.10152	4.3
123.04375	0.8
123.08070	3.0
123.11678	0.7
125.08780	0.6
125.09632	8.8
127.03870	0.5
128.06171	0.9
129.07013	3.5
130.07796	0.5
131.07617	0.4
131.08568	7.1
132.05753	0.4
133.06499	3.3
133.10135	3.5
134.07243	1.2
135.08084	3.0
135.11696	2.1
137.05984	0.5
137.09590	1.2
141.06981	0.6
142.07745	0.9
143.08543	2.7
144.09250	0.4
145.06448	0.9
145.10123	4.8
147.08058	5.2
147.11673	2.9
149.09595	1.4
149.13290	1.6
151.07486	0.3
153.09067	0.9
153.35391	0.3
157.10144	2.0
159.08058	0.8
159.11700	2.1
161.09660	2.7
161.13234	0.6
162.10391	1.0
163.11162	1.8
165.09120	1.7
169.10092	0.6
169.12215	0.7
171.10220	0.6
171.11682	1.2
173.09660	0.7
173.11687	0.3
173.13171	0.4
175.11172	2.5
177.12730	1.6
179.10658	0.3
181.12196	0.4
183.11739	0.4
185.09647	0.4
185.13271	0.7
187.11148	0.8
187.13293	0.4
189.11230	3.3
189.12743	0.5
193.12157	0.6
195.11784	0.5
195.13756	1.3
197.13248	0.4
203.10625	0.4
205.12256	1.5
211.13258	0.6
213.14767	0.5
217.12247	0.5
223.13290	17.3
227.12784	6.2
227.17877	0.7
231.13849	0.4
231.17392	0.3
237.16348	0.4
245.13780	0.5
245.19017	1.4
249.14851	3.9
255.17436	0.9
263.20044	1.0
267.15884	1.5
273.18497	15.2
283.15457	0.5
289.18045	0.4
291.19547	100.0
292.19839	1.3
309.20697	0.7
347.22110	3.0
365.23239	50.8
366.23547	1.0
389.23071	0.4
535.32623	1.2
557.34631	1.8
573.34027	0.6
575.35779	1.5
587.35944	1.0
619.39111	0.4
637.40973	2.5
655.42053	50.3
656.42303	1.2
659.81702	0.4
673.42828	1.0
690.45245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.5
67.05507	44.5
69.03435	8.8
69.07072	27.6
69.23417	2.3
69.23819	7.6
71.04992	4.5
72.16143	1.1
79.05493	31.9
81.03410	7.6
81.07058	47.2
83.04977	8.3
83.08625	7.8
85.02904	2.2
85.06527	3.0
91.05486	40.0
91.33510	1.2
93.07044	31.9
93.58189	1.0
95.04963	11.2
95.08599	18.7
97.02898	7.4
97.06528	4.7
97.10173	10.2
99.04491	1.2
99.93473	1.2
103.05474	1.8
105.04508	2.4
105.07032	35.3
107.04967	9.2
107.08603	25.2
109.02895	1.4
109.06515	6.0
109.10152	25.7
111.08083	3.7
113.06028	1.6
115.05471	1.5
117.07018	9.9
119.04945	1.8
119.07787	2.1
119.08582	18.7
121.06516	9.2
121.10148	8.5
123.08068	4.1
123.11706	4.1
125.09632	8.4
127.07505	2.3
128.06175	2.1
129.06996	2.9
130.07765	1.5
131.08565	12.1
133.06493	6.6
133.10143	34.0
135.08054	8.9
135.11699	4.8
137.05940	1.3
137.09642	2.4
141.06999	1.7
143.08580	4.8
145.10121	9.9
147.08069	8.2
147.11696	4.7
149.09593	6.5
149.13274	2.7
151.11179	16.1
157.10114	4.3
159.08046	2.0
159.11671	3.0
161.09625	6.1
161.13268	1.1
161.15428	1.0
163.07565	1.4
163.11188	2.8
165.09155	2.6
165.12735	1.1
169.10107	1.2
169.12257	3.3
171.11688	3.8
173.13231	1.9
175.11224	4.2
175.15036	1.1
177.09106	2.2
177.12758	1.5
179.10728	1.7
187.11147	2.5
189.11258	2.2
189.12753	1.3
196.63744	1.0
197.11714	1.0
205.04524	1.1
205.12286	1.5
215.12785	2.5
223.13254	13.9
227.12762	4.0
227.17929	1.8
233.15352	1.6
237.16446	1.7
245.19160	5.0
249.14883	3.5
251.12706	2.0
253.14355	56.3
255.17545	2.0
263.20090	3.7
267.15747	1.1
273.18500	37.7
282.74911	1.1
291.19537	100.0
292.19830	1.7
309.20453	2.5
335.25839	2.2
347.22137	16.5
365.23227	51.5
423.23615	1.8
543.33160	5.5
557.35059	1.6
559.32697	2.1
561.34241	20.8
637.40961	14.2
655.42035	45.7
690.44623	1.6
823.11273	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	0.6
60.04521	0.5
61.02929	1.2
64.02044	0.3
67.05498	1.0
68.04677	0.6
68.05026	8.1
68.21690	0.3
69.03423	4.3
69.07060	0.3
70.06590	100.0
71.01358	1.2
71.04987	0.6
71.06929	0.4
71.52551	0.4
72.04523	1.3
72.08154	1.1
73.02912	5.2
74.06048	0.3
79.05515	0.2
81.03426	0.9
82.06586	0.4
84.04493	0.9
84.08142	12.8
85.02909	4.9
85.03420	0.2
85.08447	1.4
86.06064	43.2
86.09702	20.4
86.10246	0.5
87.04466	0.7
91.05474	0.5
95.04951	0.3
96.04497	0.8
96.08157	0.2
97.02888	4.2
98.06055	12.2
98.09695	7.1
98.10337	0.3
99.04456	0.6
99.10028	0.6
100.07621	0.7
100.11233	0.4
102.19781	0.3
103.03953	0.7
107.04939	0.3
108.08051	0.3
109.02885	0.5
109.06518	0.3
110.06053	0.4
110.07172	0.6
111.04443	0.4
112.07609	2.6
112.11189	0.3
113.07114	0.3
114.05529	3.2
115.03928	3.4
116.07066	0.3
120.08125	1.0
123.04442	0.3
124.07582	0.5
126.05512	5.7
126.09109	0.3
127.03927	2.4
128.07077	2.6
128.10713	14.3
129.10236	1.1
132.10205	0.8
133.04955	3.3
136.07584	0.6
139.03911	0.4
140.14334	2.9
141.14716	0.5
142.05005	2.6
142.08603	0.3
143.11813	0.3
144.10214	1.1
145.02901	0.4
145.04926	0.3
147.04411	0.8
149.95514	0.3
151.03918	0.3
153.13829	0.3
155.15399	0.3
157.04944	1.4
158.15401	0.7
164.10733	1.2
167.15453	0.6
169.09721	2.2
177.05440	0.5
181.13387	0.5
182.11745	1.0
183.11349	0.9
183.14923	15.0
195.14926	0.3
199.14392	2.5
200.12827	1.3
211.06128	0.3
211.11139	2.1
211.14406	16.8
218.13876	0.9
225.15959	6.1
227.13937	0.8
229.07126	0.6
229.11900	0.3
245.14964	55.7
246.15331	0.6
247.07913	0.3
253.15497	3.6
260.14917	0.8
261.15979	1.0
265.09024	0.3
270.13553	0.3
279.17038	2.0
287.16006	1.4
288.14410	0.9
288.52853	0.3
289.14999	0.8
307.16513	0.9
317.02960	0.3
317.06567	1.0
318.06860	0.7
324.19073	1.0
341.17078	0.8
342.20224	26.9
343.20557	0.4
377.19162	10.6
384.21564	0.3
437.27435	0.4
450.24664	0.4
455.28641	42.0
456.28787	1.0
474.18161	0.4
474.24457	5.2
479.28415	0.4
497.29700	17.2
498.29590	0.3
509.23401	1.5
520.63519	0.3
521.30060	0.3
531.27240	0.3
533.29486	1.7
551.30963	2.3
569.31848	1.1
587.32867	29.0
588.33191	0.8
606.28198	0.7
611.32690	0.5
629.33917	11.2
641.27515	1.4
665.33533	0.9
683.34473	0.7
701.36279	1.2
719.24585	0.4
719.37024	7.3
738.32813	0.4
761.38147	2.9
789.34808	0.6
833.35590	0.3
851.26874	1.1
851.39740	2.4
852.37085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	4.6
67.05484	1.5
68.05017	0.6
69.03407	1.2
69.07065	0.4
70.06595	22.7
71.08622	3.3
71.51170	0.4
72.08139	0.6
74.06052	0.5
79.05479	0.8
79.54957	0.4
81.03392	0.7
81.07050	1.2
81.63354	0.3
84.08124	1.3
85.10165	0.8
88.07632	24.7
91.05461	1.3
93.07040	1.0
95.08570	0.7
97.02889	0.5
97.10126	0.4
102.09185	20.3
105.03352	0.9
105.07021	1.1
107.08576	0.8
110.62852	0.4
117.07034	0.5
120.84843	0.4
121.02866	1.8
131.04913	0.8
132.02095	0.4
139.03900	1.3
146.05075	0.4
147.04419	1.6
149.02353	79.5
149.03439	6.4
175.03935	2.8
177.05472	1.7
184.07460	0.5
191.07027	1.5
193.04965	43.8
194.05281	0.7
199.75706	0.3
212.23788	0.7
219.06496	2.4
237.07567	9.3
255.08588	0.5
256.26355	60.6
257.26859	0.5
269.04501	0.6
297.04013	0.8
300.29062	0.5
313.07095	1.1
335.25879	0.5
341.06595	3.9
343.08273	0.9
346.69180	0.4
359.07526	2.1
371.97549	0.4
385.09180	6.8
410.90298	0.5
411.11206	0.5
429.11911	1.5
440.88519	0.5
446.24164	0.4
459.74139	0.4
533.10968	0.9
577.13477	8.9
621.16101	10.0
644.47913	0.6
806.52179	0.5
832.39075	1.7
850.40051	100.0
851.40167	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	848.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	3.7
59.73196	0.3
61.02929	10.5
65.03943	3.1
67.05507	100.0
69.03103	0.4
69.03429	2.9
69.07071	7.9
69.80810	1.8
71.04991	3.8
71.08646	0.5
73.02919	3.8
79.05495	22.1
81.03426	1.6
81.07059	38.8
83.04988	1.1
83.08619	10.0
85.02910	15.4
85.06545	2.8
87.04451	0.5
91.03957	9.2
91.05483	15.3
93.07047	29.5
95.04990	2.0
95.08611	27.8
96.04497	0.5
97.02898	7.7
97.06520	1.2
97.10173	2.8
99.04451	0.8
99.08085	1.5
101.02351	0.5
103.03953	0.6
105.07036	9.2
107.08598	17.3
109.02855	0.4
109.06516	0.7
109.10160	83.8
111.08078	3.4
113.09659	0.6
115.03962	0.7
117.07032	3.5
119.08586	11.2
121.10147	13.5
123.08079	1.0
123.11714	4.3
125.09621	1.8
127.03932	3.0
127.11202	0.5
129.05489	0.4
129.07013	0.4
131.08568	6.7
133.09151	0.3
133.10143	6.8
135.11696	9.3
137.09621	5.1
137.13277	1.8
139.11237	0.5
145.04962	4.0
145.10124	5.3
147.11713	4.7
149.13263	6.3
151.11205	0.4
151.14807	0.4
155.08699	0.5
155.10670	9.3
157.10165	0.5
159.11708	4.4
161.13239	3.2
163.06029	4.4
163.14854	3.4
165.12830	0.4
171.10204	0.4
171.11659	0.6
173.11749	16.5
173.13275	4.0
175.14845	1.4
177.16403	1.1
180.08644	0.5
187.14825	2.0
189.11258	1.5
191.14426	0.4
201.16420	0.8
205.15936	0.4
214.80362	0.4
227.12807	4.5
229.14357	97.4
230.14755	1.0
233.22646	0.7
243.21080	6.2
259.20386	0.5
261.22153	22.0
262.22263	0.4
279.19644	0.4
279.23148	0.5
299.23923	0.6
317.24869	3.1
333.24445	0.4
335.25803	75.1
336.26163	1.5
360.29407	0.4
373.18436	0.6
379.29904	1.3
397.30911	1.2
415.32056	1.2
433.33203	0.8
471.34677	2.3
489.35760	78.3
490.35855	1.5
507.36804	7.5
569.83978	0.4
633.39392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	2.3
61.02927	10.3
65.03937	1.5
67.05508	77.8
69.03431	1.9
69.07072	4.8
70.08121	0.4
70.76152	0.5
70.76479	0.7
71.04995	3.2
71.08612	0.5
73.02924	2.5
79.05497	16.2
81.03431	1.2
81.07059	30.3
83.04968	0.8
83.08625	7.3
84.38630	0.4
85.02910	12.1
85.06556	2.8
86.11417	0.4
91.03960	8.6
91.05487	10.5
91.43168	0.4
93.07050	20.6
95.04985	1.1
95.08612	20.4
96.04489	0.7
97.02896	5.9
97.06538	0.9
97.10175	1.7
99.04495	0.7
99.08102	1.0
105.04474	0.6
105.07035	6.9
107.08598	11.7
109.02887	0.4
109.06549	0.8
109.10161	70.0
110.10501	0.7
111.08101	3.0
113.06065	0.6
113.09679	0.4
115.03972	0.6
117.07020	2.2
119.08586	10.7
121.10149	10.3
123.08114	0.4
123.11740	3.1
125.09660	1.4
127.03945	3.6
131.08566	4.8
133.10120	4.4
135.11690	7.2
137.09619	3.1
137.13243	1.4
139.11203	0.9
140.27818	0.4
145.04965	3.9
145.10107	3.0
147.11729	3.6
149.13248	4.0
155.10660	7.9
157.10170	0.8
159.11700	2.5
161.13289	2.4
163.06026	5.1
163.14890	2.6
171.11656	0.6
173.11789	14.7
173.13266	2.6
175.14851	1.0
177.16365	0.6
179.14282	0.4
187.14810	1.8
189.11252	0.7
201.16345	0.8
213.14812	0.6
221.24333	0.4
227.12798	7.1
229.14360	100.0
230.14676	1.0
233.22585	0.7
235.57466	0.4
243.21088	5.7
245.22607	0.5
259.20602	0.6
261.22168	17.4
263.23636	0.5
317.24738	2.7
333.24277	0.7
335.25809	65.6
336.26114	0.8
379.29922	0.8
397.31046	1.6
398.22803	0.5
415.31995	1.5
471.34824	2.6
489.35767	50.0
490.36005	0.9
507.36850	8.5
848.50122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.8
65.03945	0.3
65.74139	0.3
67.05508	6.8
69.03432	3.1
69.07071	1.9
69.96934	1.1
71.01369	0.3
71.05001	1.0
72.63758	0.3
73.02923	3.1
73.06693	0.3
78.03365	0.3
79.05492	4.6
81.03418	2.1
81.07059	6.2
82.07364	0.4
83.04999	0.8
83.08633	0.8
85.02905	5.0
85.06538	0.4
86.09718	0.6
86.17350	0.3
87.04493	0.5
91.03956	3.6
91.05482	2.5
93.07043	4.8
95.04996	1.0
95.08047	0.2
95.08608	4.9
97.02897	5.0
97.06523	1.5
97.10168	0.4
99.04472	0.7
101.02374	1.8
103.03931	0.3
105.07044	1.8
107.04977	0.5
107.08591	2.6
109.02895	0.6
109.06528	0.3
109.10158	2.6
115.03941	0.3
117.07050	0.8
119.08604	1.0
121.10155	1.6
123.08085	0.3
123.11742	0.6
125.00049	0.5
127.03903	2.0
131.08600	0.9
133.10146	1.1
135.11729	1.1
137.05817	0.5
145.04904	0.4
145.10167	0.7
147.11751	0.5
149.13345	0.3
151.11279	0.3
159.11644	0.4
160.66508	0.3
165.36734	0.3
184.07359	2.6
184.08521	0.2
185.04269	0.7
229.14430	0.6
230.98634	0.3
235.27699	0.3
243.08392	2.4
248.57013	0.3
280.00562	0.3
331.18906	0.3
335.25854	0.6
337.27521	0.6
338.27789	0.8
349.19870	8.2
405.22586	0.5
439.19534	1.0
453.21307	0.6
519.29388	5.6
532.41315	0.5
567.27808	2.9
612.46466	0.4
630.48334	0.5
683.45667	0.4
845.50171	100.0
846.50439	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	841.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	0.8
63.75813	0.1
64.17769	0.1
67.01861	0.3
68.99803	0.7
69.03432	7.1
70.06600	1.1
70.98998	0.2
71.05008	1.0
72.08163	0.3
73.02923	1.1
81.03421	9.5
81.07073	0.1
84.04501	0.1
84.08150	0.9
85.02908	9.0
86.09707	0.4
87.00831	3.7
88.39837	0.1
91.03961	0.3
91.05456	0.1
92.97858	0.1
97.02898	5.0
98.09711	0.5
99.00836	0.1
99.04456	2.3
101.02374	0.1
105.01868	1.5
109.02885	13.6
110.03206	0.1
110.07195	0.2
111.04514	0.1
115.03960	0.3
115.05456	0.1
117.01857	0.8
119.04959	0.3
120.08169	0.2
121.02899	0.2
123.04371	0.1
126.12798	0.1
127.03924	11.5
129.01852	0.7
129.10243	0.3
134.03629	0.3
135.04366	0.2
135.09204	0.3
137.05997	0.3
139.03902	0.6
140.14372	0.3
141.01842	0.2
144.13910	0.1
145.04961	1.9
146.03604	0.1
147.02905	0.5
147.04391	0.6
148.05215	0.1
151.03905	1.1
151.04990	0.2
159.02899	2.6
161.92967	0.1
163.03944	0.2
164.04736	0.3
168.00548	0.3
169.01344	0.9
169.04955	2.1
171.02899	0.1
171.04405	0.1
183.02901	0.6
186.01616	0.2
187.06026	6.4
191.03581	0.1
199.03748	0.1
203.03520	0.1
213.03889	0.2
227.03398	0.1
229.06964	0.6
231.04912	1.0
233.04405	0.2
241.05099	0.1
243.02852	0.1
244.03600	0.7
245.04533	0.5
247.08191	0.9
258.05252	0.2
259.06235	0.2
261.03918	1.1
271.02652	0.1
272.03128	1.8
273.03915	1.4
275.05536	0.1
283.02292	0.1
286.04745	0.4
287.05521	2.1
288.05716	0.1
289.03439	3.5
300.02689	2.3
301.03445	8.9
302.03787	0.2
303.04953	0.5
304.05814	0.3
314.04385	0.2
315.04984	2.4
316.05774	0.8
317.02945	1.6
331.04526	1.1
332.05270	27.0
333.05637	0.4
346.06717	0.1
347.07611	100.0
348.08002	1.5
363.35187	0.1
389.08649	0.5
455.09937	0.3
475.83002	0.1
522.70032	0.1
582.61243	0.1
593.15039	2.9
595.13611	0.1
840.39185	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	1.0
61.02933	1.2
65.03940	3.5
67.05510	100.0
68.05849	1.0
69.03434	2.6
69.07075	22.0
70.87903	0.9
71.05004	5.1
71.08633	1.6
71.27174	1.4
71.27526	1.2
73.02913	1.0
75.39432	0.8
79.05500	53.4
79.23748	0.8
81.03418	4.0
81.07062	82.4
83.04996	4.6
83.08625	15.0
85.02917	3.2
85.06562	3.9
86.09721	1.3
91.04912	1.1
91.05488	38.0
93.07052	56.1
95.04998	6.7
95.08615	52.9
97.02904	1.8
97.06537	8.8
97.10176	9.0
99.04462	1.0
99.08122	1.6
103.05486	1.4
105.04549	1.9
105.07033	28.3
107.01425	0.9
107.04959	4.4
107.08602	39.4
109.06528	6.0
109.10162	47.4
111.08099	4.2
113.09658	1.2
113.27819	0.9
115.05532	1.0
117.07028	12.1
119.08589	25.2
121.06518	2.5
121.10154	23.5
123.08076	3.4
123.11688	7.0
125.09634	5.9
129.07028	4.3
131.08582	18.2
131.09566	1.7
132.38625	0.9
133.10144	20.8
135.08067	3.4
135.11697	13.1
137.09610	3.8
137.13257	2.1
139.11250	2.0
143.08562	2.9
144.50763	0.9
145.10130	13.0
147.08063	1.4
147.11703	10.5
149.09651	5.6
149.13278	10.6
151.11143	1.7
153.12791	1.1
155.08646	1.1
155.10657	2.3
157.10168	3.4
159.11713	12.0
161.09598	1.4
161.13290	4.8
163.11227	2.7
163.14847	2.9
165.12756	2.0
169.10103	1.5
171.11725	2.7
173.11748	8.0
173.13287	8.4
175.14850	2.1
177.12782	2.0
177.16385	1.9
183.11687	1.1
184.07368	5.2
185.13330	2.5
187.11151	0.9
187.14870	3.2
189.11232	2.8
195.13853	2.2
197.13295	1.6
199.14859	1.9
215.17802	1.6
227.12843	8.5
229.14357	37.2
229.19458	1.2
235.17079	1.0
239.17894	1.5
243.21188	5.1
257.19070	3.6
259.20728	1.3
261.22144	12.7
269.17459	16.2
275.20074	23.2
293.21103	3.4
309.20578	3.6
316.15637	1.1
317.24765	2.9
331.22903	1.6
333.24197	2.0
335.25818	82.9
336.26260	2.9
337.26971	1.6
349.23795	17.8
351.25372	1.3
367.24783	14.2
397.31024	2.1
431.31635	1.2
437.34634	1.2
489.28857	1.6
489.35840	24.8
507.36829	4.8
527.36804	1.0
529.38910	32.0
569.42096	12.4
609.45203	30.7
627.46234	21.4
680.44623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	1.1
61.02918	3.5
65.03937	4.7
66.29446	1.0
67.05507	90.8
67.37412	1.0
69.03429	16.6
69.07069	49.7
71.01331	1.4
71.04993	16.2
71.08615	1.7
73.02915	4.8
77.03899	1.9
79.05494	80.5
81.03001	0.9
81.03419	20.5
81.07057	89.8
83.04978	11.6
83.08617	15.9
85.02921	8.1
85.06539	5.0
91.03956	1.6
91.05484	59.2
93.07047	82.1
95.04971	16.1
95.08610	59.1
97.02892	12.1
97.06533	71.7
97.10171	6.2
99.04475	3.2
99.08100	5.3
103.05567	1.4
105.04499	3.3
105.07039	40.2
107.04947	9.7
107.08595	38.7
109.02890	5.0
109.06525	22.1
109.10155	24.7
111.04446	2.4
111.08094	8.2
113.05985	3.4
115.05452	3.1
115.07576	24.0
117.07021	18.9
119.08588	31.2
119.09474	1.7
121.06512	8.1
121.10142	27.4
123.04420	1.2
123.08076	8.3
123.11683	5.5
125.09639	5.2
127.03947	5.6
127.07552	2.0
128.06206	2.1
129.05510	1.7
129.07033	10.2
131.08571	26.3
133.06471	6.2
133.10127	23.0
135.08046	13.3
135.11694	15.3
137.09625	5.4
137.13298	1.8
139.11172	1.8
141.06990	3.1
142.07797	1.6
143.08583	9.6
145.06456	2.4
145.10132	17.5
147.08040	7.0
147.11688	12.7
149.09676	6.7
149.13255	11.5
151.11189	4.9
153.09254	1.3
155.08569	3.9
157.10141	10.3
158.07260	1.2
159.08078	4.3
159.11694	14.1
161.09612	7.3
161.13234	6.9
163.11174	5.0
163.14856	1.9
165.09204	1.0
165.12839	1.6
167.08575	1.9
168.09329	1.3
169.10130	4.0
169.12306	1.1
171.11646	6.2
173.04482	6.9
173.09589	3.0
173.11989	1.2
173.13261	7.3
175.11217	4.3
175.14893	2.8
177.12802	3.5
179.14384	1.2
181.10165	2.1
183.11731	2.8
185.09705	1.6
185.13237	4.0
187.11244	3.0
187.14771	4.2
189.11241	2.5
189.12758	1.6
191.14333	2.1
193.12256	1.4
195.11711	1.3
195.13811	2.7
197.13242	1.7
199.11192	1.3
199.14833	3.0
201.12846	2.0
201.16402	1.5
203.14355	2.4
205.12112	1.1
205.15930	1.1
213.12825	1.1
215.14412	1.7
217.12445	1.1
217.15884	7.3
219.13806	1.3
221.15370	2.6
225.16411	1.3
227.12761	2.8
227.17957	2.4
233.15378	3.4
237.16428	2.9
240.68690	1.1
241.19423	1.4
243.21121	1.4
245.19041	4.4
251.16435	1.5
253.14365	3.3
255.17490	3.7
259.20670	3.1
261.22168	10.8
263.20230	1.4
267.15887	6.5
269.17462	12.6
271.16873	1.4
273.18503	28.7
275.19974	3.8
289.18008	1.8
290.18387	1.8
291.19565	18.2
297.16830	1.4
307.19046	2.6
309.20670	1.4
317.24725	2.7
329.21167	1.8
333.24390	2.1
335.25815	100.0
336.26105	2.5
337.27429	1.4
347.22150	12.9
349.23737	2.1
365.23364	13.3
383.24234	3.2
389.23251	1.7
435.23831	1.4
477.61484	1.3
489.35373	1.5
515.37158	5.0
527.37201	2.3
529.38940	32.9
531.36835	1.4
533.39838	1.3
541.38684	1.2
545.37885	2.2
551.41040	1.7
553.38354	1.1
555.40045	1.5
557.38062	2.4
567.40082	3.6
568.98865	1.3
585.41040	2.6
607.43597	9.4
625.44598	27.6
643.45477	12.6
807.81097	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	4.2
65.03928	5.1
67.05508	100.0
68.58530	1.2
69.03432	17.5
69.07071	58.3
69.25952	11.6
71.04996	19.3
71.08623	1.3
73.02931	6.2
77.03895	1.6
79.05495	82.4
80.05813	1.5
81.03423	23.5
81.07059	96.6
83.04978	14.1
83.08629	18.3
85.02920	9.7
85.06541	5.6
91.05486	62.9
93.07048	85.8
94.07323	1.3
95.04976	18.1
95.08609	59.9
96.16578	1.3
97.02895	10.4
97.06535	86.2
97.10171	6.9
99.04450	3.1
99.08096	8.2
100.45750	1.3
103.05488	3.0
105.04548	3.2
105.07036	45.9
107.04954	12.2
107.08604	42.8
109.02862	4.4
109.06522	26.7
109.10152	22.6
111.04406	2.1
111.08109	6.4
113.06005	2.6
115.05460	2.9
115.07578	32.5
116.06284	1.5
117.07034	20.8
119.04958	1.2
119.08586	32.4
121.06501	7.8
121.09325	2.2
121.10152	31.6
123.04436	2.7
123.08073	8.0
123.11701	8.7
125.09628	4.8
127.03915	4.6
127.07542	2.8
128.06212	2.9
129.07018	9.8
131.08580	28.8
133.06482	4.9
133.10138	24.8
135.08052	12.7
135.11703	18.2
137.09584	3.1
137.13260	1.5
141.06975	3.2
143.08572	10.0
145.06470	1.7
145.10115	20.6
147.08101	6.8
147.11668	12.6
149.09601	7.2
149.13258	14.1
151.11203	3.2
153.09023	2.0
154.35655	1.2
155.08543	4.9
157.10135	9.1
159.08093	2.6
159.11700	17.7
161.09596	9.6
161.13307	6.9
163.11162	5.5
163.14842	3.2
165.12782	1.9
167.08452	1.4
169.10149	4.3
171.11693	6.3
173.04457	5.8
173.09575	3.2
173.13260	7.7
175.11211	6.3
175.14806	2.5
177.12798	3.9
179.10704	2.2
179.14336	2.8
181.10172	2.1
181.12216	1.6
183.11673	4.6
185.09700	1.9
185.13258	5.4
187.11205	2.2
187.14861	3.7
189.11201	1.9
189.12805	1.4
193.12244	2.6
195.11780	3.1
195.13786	6.0
197.13202	2.6
199.11182	2.1
199.14838	4.0
201.07555	2.2
201.12799	2.4
203.14423	2.1
205.12146	1.7
209.13306	1.7
211.51558	1.5
217.15868	11.8
219.13721	2.3
221.15343	3.2
227.12669	3.1
227.17886	3.5
233.15480	2.8
241.19402	2.5
243.21034	2.9
245.19044	3.7
253.14366	4.7
255.17786	2.7
259.20651	3.1
261.22165	10.8
263.20065	2.7
267.15982	8.0
269.17441	21.6
273.18506	35.5
275.19992	4.2
287.20032	1.4
291.19522	18.3
293.20901	2.0
297.17047	2.9
303.19653	1.6
307.19083	2.5
309.20657	1.5
317.24680	2.5
333.24353	4.2
335.25821	91.3
336.26276	1.6
347.22202	16.1
349.23676	1.8
363.25482	1.8
365.23212	15.0
383.24298	3.3
391.28357	1.8
515.37488	5.0
527.37115	3.5
529.38959	33.4
530.39258	1.7
545.38135	3.7
551.40637	2.3
557.38232	4.2
567.40515	3.0
585.40936	1.9
607.43524	9.4
625.44702	29.3
626.42590	1.4
643.45490	12.7
660.45160	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	40.9
67.05508	72.0
69.03422	12.4
69.07057	12.6
70.06593	9.7
70.78950	4.5
71.50829	4.8
73.02899	16.5
79.05145	4.1
79.05505	47.0
81.03439	8.0
81.07066	88.1
81.61792	4.9
83.08623	9.0
85.02914	48.8
91.03957	42.0
91.05500	32.8
91.05993	7.1
93.07054	66.5
95.04955	6.6
95.08611	66.1
97.02895	24.7
97.06477	5.1
97.10185	7.1
99.04468	4.4
99.08125	4.5
105.07039	21.6
107.08617	36.4
109.10160	40.5
109.48560	4.1
117.06982	8.7
119.08572	23.9
121.10162	34.1
123.11692	16.5
124.07561	5.4
125.09665	6.2
127.03910	18.0
131.08589	14.6
133.10123	14.2
135.11697	33.4
137.09642	7.0
145.04979	20.1
145.10130	15.3
147.11684	18.3
149.13245	19.6
159.11682	12.6
161.13232	10.9
163.06026	44.6
163.14842	12.5
173.13249	11.2
175.14880	5.1
177.16443	6.8
186.34657	4.7
187.14786	7.0
189.84079	4.4
243.21147	33.7
247.44496	5.0
261.22180	100.0
267.16019	5.4
276.88498	4.4
324.49109	4.2
335.25833	39.2
353.26880	61.4
497.30844	12.1
512.28662	5.2
757.31177	5.8
821.50623	6.2
839.51691	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	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	3.1
65.03925	6.2
67.05509	73.5
69.03416	6.8
69.07066	23.1
70.10216	6.2
70.10628	3.8
71.04980	5.7
79.05495	64.6
81.03418	14.7
81.07059	82.6
83.04988	10.1
83.08622	10.7
85.02896	4.7
85.06536	6.7
87.04464	5.1
91.04916	2.0
91.05485	51.3
93.07049	62.5
95.04971	15.5
95.08614	46.2
97.02904	3.6
97.06535	22.5
97.10176	14.5
98.20880	2.1
105.07038	35.6
107.04949	17.7
107.08598	29.3
109.02887	2.8
109.06509	18.5
109.10152	23.3
111.04441	3.5
111.08086	4.0
113.05966	2.4
113.48617	1.8
115.05463	3.1
115.07539	3.4
117.07024	14.3
119.04911	2.6
119.08598	29.5
121.02891	10.2
121.06503	19.4
121.10152	24.1
123.04424	3.0
123.08070	10.8
123.11684	5.5
125.05958	8.6
125.09663	8.3
127.03912	3.1
129.06985	7.9
131.08565	19.4
133.06458	5.3
133.10138	19.1
135.08072	14.7
135.11681	11.6
137.09595	5.6
139.11211	3.6
141.06938	4.0
143.08543	5.7
145.06404	3.7
145.10120	15.0
147.08023	7.0
147.11699	9.7
149.05911	2.2
149.09598	7.8
149.13232	6.4
151.07536	7.7
151.11232	3.4
153.09105	2.4
155.08546	2.4
157.10118	5.8
159.08063	24.1
159.11655	9.6
161.09601	5.9
161.13234	5.4
163.07541	12.2
163.11201	4.4
165.09059	2.0
165.12708	3.8
167.10669	3.5
169.10146	5.0
171.11728	4.3
173.09616	4.1
173.11916	2.4
173.13268	6.5
175.11266	4.2
177.09093	4.7
183.11740	3.1
185.09589	1.9
187.11174	2.4
187.14833	3.9
189.11211	5.6
193.12242	6.1
199.14795	2.2
209.13344	2.3
211.13235	3.8
215.14349	3.7
215.17984	2.4
217.12268	4.3
219.13776	6.6
221.11588	2.3
223.13271	2.6
227.12779	7.5
233.15315	20.6
241.14351	4.6
243.17427	4.1
243.21107	3.0
247.13214	4.3
251.16418	2.3
253.16048	2.0
261.18552	6.7
261.22128	10.2
265.96484	1.7
267.15933	6.0
271.16953	14.3
273.18341	2.9
289.18008	50.8
301.16696	1.7
307.19009	23.2
313.16751	1.8
317.24768	2.0
333.24249	2.4
335.25812	100.0
336.26099	3.7
345.20825	3.1
363.21655	24.5
381.22745	20.8
501.35519	2.8
515.24707	1.9
527.36816	1.9
571.40027	2.6
623.43140	25.6
641.44086	42.6
659.45123	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	838.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.2
67.05504	3.6
67.64183	0.2
68.18301	0.2
69.03421	2.2
69.07063	1.4
70.06207	0.4
70.06592	7.3
70.52364	0.7
70.52704	0.3
71.04990	1.8
72.08157	0.3
79.05492	2.6
79.37894	0.3
81.03424	4.3
81.07059	4.4
82.06590	0.3
83.04979	5.8
83.07293	0.2
84.08157	1.4
85.02906	2.7
85.06530	0.6
87.99094	0.2
91.05482	15.8
93.06477	0.5
93.07048	6.7
95.04968	0.9
95.08595	0.7
96.08135	0.7
97.02888	1.1
97.06520	0.9
98.09695	73.7
99.04447	2.7
99.10020	0.4
105.06388	0.5
105.07034	5.5
107.04941	1.0
107.08594	7.6
109.02881	2.4
109.06528	1.6
109.10170	0.7
111.04436	1.6
111.08074	1.0
111.10480	0.6
112.11246	1.0
113.06025	0.5
117.07021	0.7
119.04945	28.7
119.08572	2.4
121.06508	2.8
121.10150	8.1
123.08097	0.6
127.03910	2.3
127.07555	0.9
129.05498	1.0
130.07846	0.3
131.08563	0.7
135.08080	1.8
135.11693	2.8
139.11119	0.3
140.14343	29.8
145.10133	7.1
147.04411	100.0
147.11688	0.8
148.04770	0.9
149.05946	0.5
149.09599	2.9
158.15407	40.7
163.11186	14.7
167.10675	3.6
168.46526	0.3
169.08597	1.6
173.09634	1.8
181.12193	2.0
185.11633	0.5
191.10670	8.2
201.05615	0.6
209.11743	2.4
227.12798	2.5
229.61156	0.3
275.09113	0.8
304.19064	18.4
305.19479	0.5
353.16019	0.5
371.17349	0.5
424.75577	0.3
450.24991	0.9
584.56567	0.3
718.91553	0.3
742.81732	0.3
838.42157	93.5
839.42468	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	838.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.4
67.05512	2.8
68.05017	0.5
69.03442	1.3
69.07060	1.0
70.06598	11.8
70.64029	0.4
70.64362	0.2
71.05026	0.8
71.99149	0.2
72.08167	0.4
79.05501	1.4
81.03419	2.6
81.07060	3.0
82.06566	0.3
83.04994	3.0
83.07357	0.3
84.08156	1.3
85.02909	1.4
85.06545	0.3
86.09748	0.3
91.05488	9.1
93.06482	0.3
93.07051	3.9
95.04966	0.6
95.08618	0.3
96.08147	0.7
97.02908	0.8
97.06548	0.7
98.09702	100.0
99.04463	1.4
99.10036	0.7
105.07047	2.7
107.04966	0.5
107.08598	4.1
109.02885	1.2
109.06504	1.0
109.10149	0.5
111.04443	1.0
111.08096	0.7
111.10480	1.0
112.11260	0.9
113.06033	0.1
117.07051	0.3
119.04955	16.6
119.08585	1.3
120.05278	0.3
121.06522	1.9
121.10154	4.7
123.08099	0.2
127.03940	1.7
127.07567	0.6
129.05470	0.6
130.07788	0.3
131.08569	0.4
135.08076	0.9
135.11688	1.3
138.12801	0.3
139.11194	0.3
140.14352	31.6
141.14719	0.2
145.06404	0.2
145.09044	0.3
145.10136	3.7
145.11302	0.2
147.04422	65.9
147.11710	0.5
148.04768	0.3
149.05917	0.2
149.09619	1.7
151.07619	0.2
158.15421	8.2
161.77466	0.2
163.11192	8.4
167.10684	2.4
169.08662	1.0
173.09665	0.9
181.12265	2.0
185.11772	0.3
191.10693	5.8
194.87125	0.1
201.05511	0.5
209.11719	1.4
217.05022	0.2
227.12825	1.5
275.09177	1.3
288.05951	0.2
304.19110	4.2
308.08844	0.2
335.14978	0.2
353.16052	0.6
354.90173	0.2
371.17184	0.5
450.25101	0.3
838.42212	78.7
839.42535	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.423
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.3
67.05184	0.3
67.05513	3.8
68.05016	0.3
69.03434	1.8
69.07077	1.7
69.07395	0.3
70.06596	6.9
70.52405	0.7
71.05003	1.6
72.08159	0.3
77.03922	0.3
79.05496	2.5
81.02931	0.2
81.03417	3.9
81.07069	4.5
81.44922	0.2
83.04985	6.5
83.08638	0.3
84.08152	1.3
85.02446	0.2
85.02919	2.8
85.06540	0.5
86.09718	0.3
91.05486	15.2
92.92066	0.2
93.07048	7.3
95.04966	0.9
95.08603	0.6
96.08144	0.7
97.02886	1.0
97.06555	1.3
98.09699	69.9
99.04465	1.9
99.10010	0.4
101.72263	0.2
105.07038	6.1
107.04944	1.0
107.08602	8.1
109.02885	2.3
109.06523	1.9
109.10144	1.1
111.04459	1.2
111.08084	1.3
111.10461	0.7
111.11729	0.4
112.11236	0.9
113.06005	0.4
117.07018	0.9
119.04950	29.1
119.08604	2.5
120.05241	0.3
121.06509	3.6
121.10153	8.8
123.04480	0.2
123.08071	0.4
125.05964	0.2
127.03934	2.9
127.07566	0.7
129.05476	0.9
130.07741	0.5
131.08588	0.5
135.08072	2.0
135.11717	2.4
139.11217	0.5
140.14351	26.8
143.08609	0.3
143.51425	0.2
145.10146	6.9
147.04419	100.0
147.11662	0.5
148.04765	0.8
149.06001	0.5
149.09637	3.1
154.38858	0.2
155.08490	0.2
158.15413	39.2
163.11191	15.7
164.11497	0.3
167.10687	4.2
169.08647	2.3
173.09645	1.7
181.12245	2.2
189.61037	0.2
191.10686	8.6
201.05527	0.6
209.11729	2.4
227.12799	2.0
275.09122	0.7
304.19095	14.0
305.19336	0.4
309.16794	0.3
353.16037	0.7
371.17053	0.4
450.24854	0.5
776.42670	0.3
838.42206	81.6
839.42633	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	838.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04501	0.3
60.05647	0.6
68.05025	1.2
69.03438	0.7
69.07067	0.3
70.06594	50.9
71.01398	0.3
71.04990	0.9
71.51660	0.4
72.08144	1.1
75.05608	8.3
81.03421	0.6
81.07064	0.4
82.06577	0.7
83.06092	1.5
84.04505	25.1
84.08145	5.2
85.02898	1.6
85.07678	1.3
85.08478	0.4
86.06061	0.9
86.09706	1.2
87.04437	0.4
87.05578	0.6
91.05486	5.9
95.06071	2.4
96.04481	1.6
97.02900	0.9
97.07659	2.0
98.06058	1.3
98.09698	11.4
99.10027	0.7
101.07143	11.3
102.05531	2.5
103.05451	1.7
107.04979	1.8
110.07188	0.9
111.50618	0.3
112.03960	0.4
112.08732	19.1
113.07121	4.1
114.05552	0.6
114.10303	0.6
115.08691	8.9
115.09454	0.7
118.06519	0.6
119.04950	5.3
120.08109	26.9
121.06558	0.4
122.06053	0.3
124.03975	1.2
124.08752	1.0
124.24522	0.4
125.07143	0.7
126.12810	0.8
129.06589	4.7
129.10252	1.0
130.05032	0.7
130.06509	0.6
130.09779	0.4
131.04974	0.8
132.08130	1.5
136.07581	67.2
137.07957	0.7
139.59361	0.3
140.08179	1.8
140.14337	4.1
141.06572	3.0
146.06038	0.5
147.04391	2.5
148.07590	2.6
148.08694	0.8
151.05054	1.0
152.03461	2.9
152.08223	1.9
153.06693	0.3
155.08153	0.4
157.10854	0.5
158.09299	1.1
158.15398	0.6
159.07739	0.5
160.07617	0.7
161.10745	0.3
164.07014	0.4
167.08131	1.5
169.06093	7.7
169.11017	0.3
172.11288	0.6
175.08644	0.3
176.07010	0.8
177.05412	0.3
177.10211	2.4
181.09740	1.2
186.08752	6.2
187.07153	3.4
187.08667	0.7
188.10722	0.4
193.09726	15.1
195.07739	1.4
197.10493	0.6
198.08864	0.4
199.12180	0.7
200.10814	0.3
202.08714	0.4
203.08217	1.3
205.09726	2.9
206.09288	0.5
212.10262	1.6
213.08704	1.7
215.08252	1.3
215.11761	0.5
216.14975	0.9
217.13361	1.6
221.09222	4.3
222.12419	1.6
223.07076	1.5
224.10429	0.5
227.11868	0.8
230.11317	0.6
232.10890	0.3
233.12904	0.4
234.08861	0.6
238.12292	0.5
240.09778	1.1
241.08180	3.1
242.12898	3.7
243.11150	0.5
244.14439	3.7
244.16469	0.4
245.12854	0.7
253.08095	0.6
258.10760	0.6
259.15540	12.4
261.12424	0.6
270.11020	1.1
271.10770	0.4
272.14136	0.3
277.11856	0.5
278.14975	0.4
280.09326	0.7
281.07755	0.8
286.11890	0.4
287.05487	1.0
287.15085	1.3
288.13782	0.7
293.12857	0.5
295.14597	0.6
297.12030	1.0
298.10165	2.1
299.15067	0.3
300.13434	0.4
303.14514	5.2
304.12866	2.8
313.12027	0.3
315.13004	0.9
316.12747	0.4
323.13898	0.6
325.12320	0.3
332.12399	0.6
333.15768	0.8
337.11600	0.4
338.09955	1.3
343.14203	0.4
344.17401	0.6
349.15799	0.3
355.12494	0.8
360.16501	1.8
361.19946	1.1
377.19290	0.7
399.16772	0.5
415.16144	0.8
417.18195	0.5
427.16388	0.4
433.17355	0.6
444.23871	0.8
471.19788	0.3
472.23291	0.5
489.21182	0.5
490.19235	0.6
514.26282	0.4
551.15649	0.3
573.27734	1.4
776.33954	1.0
793.36932	0.4
810.38776	0.5
820.35236	1.0
821.35437	0.9
838.38342	100.0
839.38428	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	837.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	0.2
65.03944	0.2
67.05505	0.3
68.99786	0.5
69.03095	0.1
69.03432	1.3
69.07061	0.4
70.06577	0.1
71.04991	0.6
73.02899	0.1
79.05062	0.1
79.05489	0.9
81.03421	2.0
81.07059	1.7
83.01323	0.1
83.04990	0.2
84.08154	0.1
85.02908	1.7
85.06540	0.3
86.09677	0.1
87.04472	0.1
91.05478	0.6
93.07046	2.3
95.04975	0.4
95.08601	0.3
97.02898	1.0
97.06541	0.4
98.09694	0.1
98.21521	0.2
99.04464	1.0
101.06026	0.1
103.05512	0.1
105.03394	0.2
105.07036	1.9
107.04948	0.3
107.08601	3.0
109.02887	1.5
109.06523	0.6
109.10191	0.1
111.00797	0.5
111.04483	0.2
111.08084	0.4
113.06023	0.2
115.05428	0.1
117.07015	0.3
119.04936	0.1
119.08568	0.7
121.02870	4.4
121.06499	1.2
121.10147	2.8
123.08044	0.2
127.03917	2.8
127.07542	0.3
129.07010	0.1
130.07809	0.1
131.08568	0.3
133.02847	0.4
135.04433	0.1
135.08067	0.6
135.11691	1.0
137.02356	0.7
137.09622	0.1
139.07480	0.1
139.11171	0.3
141.07011	0.1
143.08485	0.1
145.04939	0.2
145.06453	0.2
145.10126	2.1
147.04395	0.7
147.11690	0.3
149.06012	0.2
149.09622	0.9
151.07544	0.1
153.01834	2.3
157.06490	0.3
161.05989	0.1
163.11185	5.5
164.81775	0.1
165.01830	1.2
167.10684	1.7
169.08603	1.0
171.02950	0.1
171.04422	0.2
173.05965	0.1
173.09645	0.5
179.10519	0.1
181.12236	1.3
183.02922	0.6
183.04378	0.1
185.05963	0.2
185.11708	0.4
189.05421	0.2
191.10678	4.4
197.06100	0.1
199.03969	0.1
201.05563	0.2
203.03529	0.1
203.07056	0.1
209.11743	2.7
213.05457	1.0
219.06561	0.2
227.12796	4.6
231.06508	0.5
241.04956	1.0
243.06490	0.1
245.04567	0.2
258.05185	0.7
259.06100	0.3
263.05551	0.2
269.04416	0.2
269.13901	0.3
271.13138	0.1
287.05502	100.0
288.05807	1.4
288.08810	0.1
293.13855	0.1
299.05447	0.2
299.12793	0.2
311.05682	0.2
317.13916	0.2
325.07220	0.1
329.06546	1.2
335.14856	0.2
353.06552	0.2
353.16010	0.9
371.16992	1.1
371.65912	0.1
377.06467	0.1
377.88040	0.1
389.18341	0.1
395.07675	0.4
417.22458	0.1
431.09616	0.2
449.10986	0.4
657.21600	0.1
675.22687	0.3
675.33728	0.1
719.18658	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	831.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	7.4
67.05521	5.8
69.03420	3.9
69.07057	0.9
69.30470	1.9
69.30869	5.2
71.08627	2.6
73.02924	4.2
79.05478	1.1
81.03423	2.5
81.07071	3.0
81.22042	0.7
83.08620	1.6
85.02912	7.6
85.10192	1.6
86.03217	0.7
87.04486	1.0
91.03963	4.9
91.05456	1.2
95.08599	4.2
97.02901	8.5
99.04491	1.0
101.02400	3.5
103.03932	1.0
104.10150	0.9
109.10197	3.2
121.10204	0.7
127.03968	2.4
145.05058	0.8
153.68768	0.9
160.07733	0.8
184.07370	2.0
195.09996	1.4
243.08490	2.2
313.27362	2.3
347.09604	2.9
389.42154	0.8
405.13583	7.5
413.17725	6.6
497.30972	8.9
575.23120	6.2
659.35956	9.6
669.42004	3.3
831.47162	100.0
832.47479	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	829.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	5.0
65.03945	0.3
67.05510	5.2
69.03439	3.0
69.07066	1.5
69.25598	1.9
71.01347	0.6
71.04990	0.4
73.02924	3.8
79.05503	4.1
81.03418	1.4
81.07068	5.1
83.04982	0.5
83.08616	0.6
85.02417	0.2
85.02906	4.0
86.80395	0.2
87.04475	0.3
89.02377	0.2
91.03960	3.0
91.05486	3.2
93.07052	4.3
95.04350	0.2
95.04980	0.7
95.08618	3.2
95.33515	0.2
97.02897	3.7
97.06549	0.4
97.10206	0.2
99.04447	1.0
101.02397	1.8
103.03954	0.3
105.07054	1.5
107.04981	0.3
107.08606	1.8
109.02895	0.9
109.06554	0.3
109.10155	1.2
113.24973	0.2
115.03975	0.3
117.07031	0.7
119.08582	1.4
121.10134	1.6
123.11742	0.4
127.03946	1.2
131.08621	1.1
133.10091	1.1
135.08128	0.3
135.11725	1.2
138.83963	0.2
140.92773	0.2
145.04979	0.4
145.10164	0.7
147.11699	0.5
149.09593	0.3
149.13368	0.3
161.05946	0.2
161.81218	0.2
184.18628	0.2
185.04239	0.8
188.42993	0.2
203.05331	0.4
243.08389	2.2
259.07986	0.4
333.20340	3.1
335.25952	0.8
389.23032	0.5
392.11264	0.2
439.19495	0.7
453.21136	0.9
469.20493	0.3
519.29333	6.1
551.28302	3.7
731.44147	0.5
829.50751	100.0
830.51001	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	4.8
65.03942	0.5
67.05183	0.4
67.05515	6.5
69.03427	3.6
69.07071	2.9
69.29007	1.9
69.29417	0.7
71.01346	0.3
71.04998	0.5
71.08638	0.3
73.02917	3.3
79.05495	4.7
80.05840	0.4
81.03428	1.9
81.07059	5.5
82.07408	0.4
83.04977	0.6
83.08619	0.6
83.51637	0.4
85.02908	5.6
87.04456	0.4
91.03964	3.2
91.05489	2.7
93.07047	5.0
95.04939	0.6
95.08611	4.6
97.02894	5.0
97.10201	0.9
98.20703	0.7
99.04463	0.6
99.08095	0.5
101.02386	1.5
102.27568	0.3
103.03957	0.4
105.07033	1.7
107.04980	0.7
107.08579	2.5
109.02882	0.6
109.10161	1.9
109.57716	0.3
117.07026	0.9
118.30292	0.3
119.08600	1.2
121.10138	2.1
123.11676	0.5
125.09661	0.6
127.03906	1.7
131.08571	1.2
133.10146	1.0
135.11734	0.9
147.11713	0.9
149.13281	0.6
159.11713	0.6
163.14767	0.4
173.13277	0.3
183.72229	0.4
184.07402	0.6
185.04315	0.6
203.05350	0.6
223.13399	0.9
227.12704	0.3
243.08458	2.6
262.22592	0.3
291.19675	0.7
331.18744	2.1
335.25894	1.1
336.26187	0.5
345.34894	0.3
351.25577	0.5
352.25952	0.4
426.84525	0.3
519.29309	7.6
549.26416	2.5
612.47321	1.0
827.49152	100.0
828.49268	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	828.583
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	2.9
64.15334	1.9
65.03928	4.8
67.05507	95.8
69.03433	10.8
69.06733	2.8
69.07070	36.5
70.91595	1.6
70.91927	4.0
71.04980	5.3
71.08635	10.6
72.18787	1.5
73.86464	1.7
79.05074	3.1
79.05495	40.9
81.03416	11.2
81.07059	94.5
83.04979	12.9
83.08620	23.1
85.02901	8.3
85.06544	3.3
86.09695	2.1
91.05476	31.7
93.07047	47.5
95.04969	8.3
95.08614	56.2
97.02869	6.3
97.06521	7.5
97.10176	11.0
99.04470	2.8
99.08070	7.4
105.07050	20.7
107.04946	2.8
107.08601	28.4
109.02894	3.2
109.06490	3.2
109.10158	27.6
111.04452	2.1
111.08077	5.1
113.09637	2.7
117.07031	9.9
119.08574	12.2
121.10157	18.0
123.08082	1.9
123.11710	6.7
125.09589	3.9
127.03934	6.0
129.05460	3.8
129.07014	2.5
131.08571	11.8
133.06406	2.4
133.07967	1.8
133.10129	15.2
135.08102	2.3
135.11697	10.3
137.09654	2.5
137.13185	4.7
139.11185	2.6
143.08580	3.0
145.04950	2.3
145.10094	7.0
147.11662	9.5
149.09648	2.3
149.13257	15.2
150.95547	1.7
151.11174	9.5
157.10078	2.1
159.11684	6.0
161.13246	7.9
163.11166	6.8
163.14798	3.3
169.09937	1.7
171.11670	2.8
173.04536	2.2
173.11777	2.3
175.14841	3.1
177.12767	2.5
179.14264	3.4
184.07271	3.5
195.13850	3.3
213.14745	2.0
227.12779	5.9
229.14316	5.6
245.22650	2.2
245.95091	1.8
259.20520	4.3
263.23721	6.4
269.17511	31.4
277.21680	10.4
337.27380	90.3
338.27725	3.4
351.25253	20.7
491.36990	8.6
515.40674	3.0
531.40497	100.0
613.48297	31.3
631.49481	3.8
675.44336	2.7
828.47357	6.7
829.49615	4.1
839.97217	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	827.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.5
67.05508	6.3
69.03434	3.8
69.07073	1.6
71.05003	1.0
73.02924	3.4
79.05495	4.7
81.03438	1.7
81.07069	5.2
83.08630	0.9
85.02907	5.7
91.03954	2.5
91.05478	3.8
93.07048	5.2
95.04991	0.7
95.08616	3.8
97.02901	4.1
97.06490	0.5
97.10201	0.7
99.04475	0.7
101.02399	2.3
105.07037	3.2
107.08595	2.3
109.02900	0.9
109.10145	2.3
111.22056	0.5
115.11581	0.4
117.07057	1.5
119.08601	1.8
121.10178	1.4
123.11744	0.7
127.03909	1.0
129.07010	0.5
131.08582	2.5
133.10202	1.5
135.11760	0.6
143.08614	1.2
145.10184	1.6
147.11734	0.9
149.13326	0.6
157.10159	0.5
159.11737	0.6
185.04227	1.0
203.05304	0.6
229.14351	1.0
239.57472	0.4
243.08363	2.8
273.62833	0.5
275.20227	0.5
290.39694	0.5
331.18869	5.1
335.25851	0.7
387.21353	1.1
413.17957	1.1
457.61026	0.4
519.29346	5.6
549.26782	6.1
653.29041	0.5
827.49164	100.0
828.48932	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	827.491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.9
67.05508	6.5
69.03432	3.5
69.07073	1.4
70.96060	0.4
70.96376	0.3
71.01369	0.5
71.04996	0.4
71.08650	0.4
73.02921	3.9
79.05491	3.6
81.03416	1.5
81.07056	4.4
83.04984	0.3
83.08621	0.9
85.02917	5.0
87.04492	0.4
91.03961	2.8
91.05486	2.5
93.07046	4.6
95.04984	0.9
95.08621	3.0
97.02886	4.0
97.06599	0.4
97.10163	0.4
99.04470	0.8
99.08115	0.3
101.02383	1.5
103.04002	0.4
105.07064	1.9
107.08598	2.0
109.02905	0.8
109.06570	0.3
109.10168	2.2
110.10543	0.3
111.08127	0.3
115.03870	0.4
115.05528	0.5
117.07043	0.9
119.08611	1.4
121.10146	1.7
123.11785	0.4
124.89491	0.3
125.09636	0.3
127.03948	1.5
129.06992	0.4
131.08583	1.7
133.10167	0.6
135.11714	1.0
143.08588	0.9
145.10144	1.4
147.11740	0.7
149.13304	0.4
157.10178	0.5
159.11757	0.6
159.36180	0.3
173.11739	0.4
173.13159	0.3
184.07382	0.5
185.04167	0.6
195.09991	0.3
229.14491	1.3
230.14790	0.5
243.08374	2.4
252.30792	0.3
273.18475	0.5
311.26273	0.3
313.27615	0.8
314.27853	0.6
331.18793	9.0
331.22668	0.5
335.25818	0.7
387.21619	0.6
413.17929	0.6
467.38202	0.3
468.37808	1.2
519.29224	5.6
546.02332	0.4
549.26715	3.3
576.34619	0.3
600.86176	0.3
789.20789	0.3
827.49176	100.0
828.49536	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	826.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	2.4
65.03941	4.8
67.05508	93.9
67.31637	1.0
69.03432	8.5
69.07075	28.6
69.30870	2.8
69.31296	7.2
71.04646	0.8
71.04996	7.0
71.08637	7.1
73.02905	2.0
77.03916	0.9
79.05499	55.4
81.03426	10.3
81.07060	100.0
83.04984	11.2
83.08621	23.0
85.02911	6.3
85.06529	4.6
86.09703	1.7
91.03939	1.5
91.04911	1.5
91.05485	39.9
93.07048	68.9
94.07397	1.9
95.04971	10.1
95.08614	58.9
97.02887	5.7
97.06535	10.3
97.10171	10.3
99.04453	1.6
99.08089	8.3
105.04563	1.5
105.07037	32.8
107.04951	4.2
107.08604	43.8
109.02843	1.2
109.06540	5.8
109.10165	28.5
111.08114	5.9
111.11722	1.7
113.06019	1.1
115.05421	1.5
117.07021	12.5
119.08588	22.5
121.06515	3.6
121.10144	24.1
123.08052	5.8
123.11692	8.6
124.99992	1.5
125.09659	8.2
127.03893	3.3
128.06230	1.4
129.05495	2.4
129.06992	5.9
130.07797	1.1
131.08568	18.1
133.10139	21.4
135.08049	3.0
135.11694	16.2
137.09636	2.8
137.13280	1.6
139.11162	1.5
143.08524	4.8
145.04985	1.5
145.10123	15.0
147.11690	13.0
149.09683	4.9
149.13252	13.2
151.11180	7.0
151.14766	1.6
155.08588	1.2
155.10634	1.2
157.10112	4.2
159.11703	13.1
161.09625	1.1
161.13281	8.6
163.11105	5.7
163.14859	2.5
165.12805	1.9
169.10094	2.2
171.11717	3.0
173.11708	3.2
173.13245	5.7
175.14859	3.4
177.12688	2.9
177.16449	1.3
179.14250	2.1
183.11771	1.4
184.07352	6.6
185.13222	3.3
187.14804	3.2
189.11232	3.7
189.12717	1.3
195.13869	5.0
199.14833	2.1
201.16330	2.0
227.12828	10.0
229.14412	10.8
229.19637	1.5
239.17908	1.6
241.19334	1.2
243.21112	2.8
245.22392	1.3
253.17934	1.7
257.19083	5.8
259.20569	3.3
261.22195	9.4
263.23642	3.1
267.15836	3.5
269.17471	38.7
275.20096	16.2
277.21701	6.3
284.12396	1.0
293.21164	3.8
294.21463	1.6
295.22702	1.2
317.24667	2.3
331.22653	2.4
333.24390	1.3
335.25812	47.7
336.26147	2.3
337.27386	38.5
339.17938	1.9
349.23755	18.1
351.25287	12.8
359.29276	1.1
367.24808	1.7
413.21854	2.5
433.33340	1.5
489.35681	4.4
491.37204	2.9
501.41156	1.3
505.35559	1.5
507.36649	2.8
511.37814	1.7
529.38922	59.6
530.39075	1.9
531.39716	2.7
571.43115	1.2
611.46729	41.2
629.47815	9.8
673.42596	1.7
827.49237	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	826.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	2.5
61.02932	7.7
65.03942	1.2
67.05507	50.1
68.05845	0.4
69.03436	1.7
69.07072	4.7
70.06590	1.1
70.82316	0.9
71.05004	2.2
71.08637	17.7
73.02909	2.8
79.05505	1.8
79.69879	0.4
81.03425	0.5
81.07059	15.2
83.04964	0.5
83.08622	10.9
85.02912	10.0
85.06532	1.8
85.10190	10.2
86.09706	1.2
89.06039	1.1
91.03959	6.9
91.05481	4.0
93.07050	3.8
95.05005	0.4
95.08612	15.3
97.02892	5.3
97.06521	0.4
97.10181	3.5
99.04479	0.8
99.08095	0.5
99.11734	0.7
103.07594	0.9
105.07019	1.1
107.08582	1.7
109.10161	57.0
111.08104	2.2
111.11729	0.8
113.13308	0.3
113.37975	0.3
119.08595	4.1
121.06525	0.5
121.10149	0.7
123.11690	1.9
124.99951	0.5
125.09614	0.5
127.03932	3.0
131.08571	0.4
133.10141	0.6
135.11729	0.4
136.07591	1.2
137.09622	2.5
137.13229	0.8
145.04976	3.3
145.10150	0.5
147.08011	0.4
149.13289	0.4
151.14845	0.6
155.10667	5.3
163.06017	3.9
173.11754	14.8
180.08638	0.4
184.07318	3.1
221.22472	0.4
229.14357	77.7
230.14746	0.8
239.23648	2.4
252.16087	0.4
257.24762	1.5
261.89484	0.4
270.85587	0.4
278.17413	0.5
306.17181	0.4
311.18564	0.5
313.27374	75.9
314.27670	1.0
316.21674	0.4
335.25906	1.7
336.26129	0.9
337.26550	1.0
367.21078	0.6
368.21426	0.6
373.18341	0.6
467.37350	100.0
468.37741	2.3
606.43433	0.7
611.42114	0.8
628.42853	0.8
629.43335	2.9
651.22766	0.4
767.46942	0.4
826.48737	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	826.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	2.9
60.86194	0.4
61.02928	9.8
65.03944	1.1
67.05508	51.1
69.03433	1.5
69.07070	5.0
70.06578	1.0
70.37709	0.4
71.04996	2.2
71.08636	14.8
73.02924	3.0
76.49335	0.4
79.05494	1.7
80.19038	0.4
81.03410	0.6
81.06584	0.9
81.07060	12.7
83.08153	0.6
83.08625	8.6
85.02908	10.7
85.06548	1.8
85.09665	0.5
85.10187	9.7
86.09711	0.7
89.06025	0.7
89.98646	0.4
91.03954	6.7
91.05480	4.1
93.07044	3.0
95.04922	0.5
95.08608	14.7
97.02903	6.2
97.10170	2.7
99.04443	0.5
99.11720	0.7
101.02354	0.5
101.05067	0.4
103.07580	0.8
105.07055	1.1
107.08598	1.4
109.02852	0.5
109.10162	58.7
111.08115	2.0
111.11703	0.9
119.08587	4.5
121.10123	0.6
123.11693	2.3
125.09696	0.4
127.03926	3.1
129.05464	0.6
137.09631	2.5
137.13274	0.6
144.06525	0.4
145.04941	3.6
155.10654	4.7
163.06007	4.0
173.11748	17.3
184.07420	1.2
229.14360	100.0
230.14755	1.0
239.23682	1.1
257.24753	1.2
278.32889	0.4
313.27374	76.7
314.27899	0.9
335.25662	0.6
373.18701	0.9
467.37354	66.8
468.37720	1.7
683.26538	0.4
826.46375	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	2.9
62.30136	1.2
65.03950	3.2
67.05511	87.8
69.03432	6.7
69.07072	37.5
71.04998	4.8
71.08643	3.3
71.12641	2.4
73.02927	2.6
77.03923	1.7
79.05498	45.8
81.03433	8.9
81.07063	100.0
83.04984	7.7
83.08629	20.8
85.02922	4.5
85.06541	4.6
85.10191	1.3
85.93844	1.2
86.09701	2.4
91.03945	1.3
91.05486	39.1
93.07050	52.1
93.72103	1.2
95.04994	8.4
95.08616	64.2
97.02903	5.2
97.06545	14.3
97.10170	7.9
99.04420	1.9
99.08089	4.0
105.07040	28.0
105.07699	2.3
107.04967	4.6
107.08607	27.8
108.08953	1.5
109.06548	4.2
109.10174	24.7
109.10916	0.9
111.08104	5.3
111.11736	2.1
115.05483	1.2
117.07039	13.1
119.08588	22.8
121.06506	2.5
121.10152	19.2
123.08085	4.1
123.11729	7.9
125.09628	3.3
127.03909	2.8
129.05492	2.8
129.07011	4.2
131.08565	16.5
133.10144	22.1
135.08087	3.5
135.11725	13.4
137.09619	1.6
137.13277	2.9
139.11189	1.9
143.08580	4.0
145.10132	11.1
147.11711	10.7
149.09613	7.5
149.13263	10.1
151.11148	1.4
151.86107	1.1
155.08553	1.8
157.10181	3.4
159.11714	11.3
161.13263	5.1
163.11195	4.9
163.14839	2.2
165.12817	1.2
169.10117	1.8
171.11736	3.5
173.04472	2.7
173.09630	1.3
173.13300	3.9
175.11163	2.0
175.14867	2.6
177.12773	2.7
177.16458	1.5
183.11777	3.6
184.07408	5.1
185.13277	2.7
187.14787	1.9
189.11284	1.5
189.12817	1.2
189.16431	1.7
195.13869	3.8
197.13301	2.0
199.14877	1.6
227.12856	3.1
227.18024	1.3
229.14323	2.9
239.18044	1.6
245.22789	2.1
245.65048	1.3
252.69617	1.2
255.15883	8.4
257.19019	4.1
261.22260	1.8
263.23740	4.1
267.15958	1.8
269.17505	26.5
275.20050	17.7
291.19687	1.9
293.21127	4.2
294.21552	1.7
309.20563	2.7
331.22720	1.5
335.26004	5.5
336.26190	3.2
337.27380	91.8
338.27716	1.4
349.23782	17.3
351.25385	1.3
367.24863	3.4
409.85272	1.1
413.21588	3.0
491.37167	4.2
517.38995	20.1
529.39099	1.9
531.40466	70.0
532.40698	1.3
571.43579	7.4
597.80182	1.4
611.46790	21.2
612.46301	1.6
629.47717	11.7
675.43719	1.5
827.49438	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	826.4952
Annotation	Kulokekahilide 2
Peak:m/z	Relative Intensity
59.05014	0.4
61.02929	5.8
65.03956	0.8
67.05508	13.1
68.05036	1.4
69.03434	8.1
69.07069	2.8
70.02955	0.5
70.06593	6.9
70.81514	0.4
70.81826	0.5
71.01360	0.5
71.04996	91.5
72.04549	0.5
72.05327	0.5
73.02923	3.7
79.05498	13.3
80.05034	0.8
81.03424	4.2
81.07058	9.2
82.06577	1.2
83.04993	1.2
83.08624	3.3
84.04504	0.5
84.08151	4.9
85.02908	5.9
85.06555	0.7
86.06070	5.6
86.09729	0.4
87.04478	0.8
88.03998	3.4
91.03963	2.2
91.05484	7.0
92.74328	0.3
93.07046	9.0
94.06568	1.0
95.04967	1.6
95.08610	6.4
96.08133	9.6
97.02900	5.2
97.06526	0.9
97.10178	4.5
98.06062	3.8
98.09704	0.4
99.04475	0.8
100.07626	0.4
100.71642	0.3
101.02392	1.9
102.05560	0.8
104.07098	0.5
105.04562	0.4
105.07029	2.9
106.06546	2.0
107.08593	6.4
109.02913	1.0
109.06526	0.7
109.10157	3.2
110.06052	0.5
110.09708	0.5
111.08080	1.8
112.07613	5.8
114.05536	0.8
114.09174	0.6
115.03933	0.5
116.07095	0.4
117.07005	2.0
118.06609	0.7
119.08587	2.8
120.08091	0.4
121.06514	0.8
121.10136	2.9
122.06074	0.8
123.08108	1.0
123.11741	0.4
124.07586	4.6
125.09624	3.6
127.03934	1.4
129.07013	0.5
131.08556	1.7
133.10159	1.2
135.08086	2.0
135.11694	1.5
140.07089	1.0
141.07854	0.9
142.08647	6.1
142.22324	0.4
145.10173	1.1
147.08066	0.6
147.11714	0.7
149.09630	0.8
149.13297	0.4
153.09102	2.2
155.08614	0.3
158.08138	7.9
159.11731	0.6
163.11211	0.6
170.08153	2.9
171.10249	0.5
173.13303	0.4
189.11180	1.8
202.10721	0.7
227.12782	2.1
248.16615	0.7
250.14455	0.4
261.22101	0.6
266.17538	0.3
335.25766	4.5
351.56766	0.4
460.37070	0.3
541.91553	0.4
580.47595	0.4
628.42316	0.3
646.43707	1.0
664.43634	1.9
722.37866	0.4
808.51190	0.6
826.49518	100.0
827.49841	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	826.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04969	0.4
61.02931	5.6
65.03947	1.0
67.04246	0.4
67.05507	13.7
68.05030	1.3
69.03436	7.5
69.05824	0.6
69.07056	2.9
70.02970	0.7
70.06599	6.7
71.01367	0.5
71.04996	86.4
71.52073	0.4
73.02921	3.1
76.75338	0.4
79.05496	11.9
80.05049	0.8
81.03426	2.8
81.06590	0.6
81.07066	9.6
82.06582	0.9
83.04992	1.3
83.08620	2.7
84.04511	0.7
84.08145	4.8
85.02912	6.2
85.06542	0.7
86.06073	4.8
86.09725	0.5
87.04485	0.7
88.03995	3.5
91.03957	2.0
91.05481	6.8
93.07051	8.7
94.06576	0.7
95.04990	2.1
95.08611	5.7
96.04480	0.6
96.07526	0.3
96.08132	7.8
97.02899	5.5
97.06519	0.8
97.08909	0.3
97.10174	4.9
98.06068	3.1
98.09705	0.5
99.04536	0.6
101.02388	1.2
102.05585	0.6
104.07128	0.3
105.07034	3.3
106.06575	1.3
107.08595	6.4
109.02868	0.5
109.06512	0.4
109.10162	3.4
110.06055	0.4
110.09692	0.9
111.08095	1.9
112.07613	5.3
114.05560	0.8
114.09216	0.5
115.05432	0.5
117.07004	1.9
119.08591	2.2
120.08110	0.5
121.06541	0.8
121.10163	3.2
122.06048	0.8
123.08070	0.9
124.07599	4.5
125.09626	2.4
127.03957	0.8
129.07021	0.5
131.08585	1.6
132.14534	0.3
133.10158	1.2
135.08086	1.5
135.11668	1.7
140.07098	0.8
141.07927	0.8
142.08638	5.9
145.10179	1.0
147.11707	0.9
149.09694	0.5
153.09151	1.1
158.08130	8.7
161.13367	0.5
163.11195	0.7
170.08116	2.4
173.09769	0.4
173.13300	0.5
189.11267	1.3
193.12144	0.3
202.10764	0.6
227.12715	2.0
248.16670	0.7
252.16017	0.6
261.22250	0.6
294.17212	0.5
335.25839	4.8
335.71063	0.4
385.10648	0.4
413.52072	0.4
646.43683	1.1
664.44312	1.7
722.38141	0.8
826.49512	100.0
827.49866	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	825.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	6.0
65.03963	0.6
67.05505	16.7
68.05831	1.1
69.03426	3.9
69.07072	6.6
71.04987	1.9
73.02911	5.2
79.05493	12.5
80.05830	1.0
81.03415	3.0
81.07060	15.5
82.07388	1.4
83.04984	1.3
83.08654	3.0
85.02905	6.2
85.06524	0.6
91.03961	2.9
91.05485	10.2
92.05788	0.9
93.07046	12.5
94.07394	1.4
95.04983	1.1
95.08610	10.0
96.08942	0.7
97.02889	5.3
97.06535	1.3
97.10165	3.6
99.04414	0.6
99.08072	0.6
101.02404	1.8
102.58729	0.5
105.04549	0.5
105.07036	8.1
106.07376	1.2
107.04964	1.2
107.08598	9.0
108.08955	1.6
109.02861	0.7
109.06552	0.9
109.10163	4.9
110.10505	0.6
117.07023	3.3
119.08579	6.9
121.06541	1.1
121.10146	4.4
122.10458	1.0
123.08135	0.9
123.11720	1.3
125.09643	2.8
127.03930	1.6
129.05548	0.6
129.07036	1.6
131.08594	3.6
133.10130	3.4
135.08044	1.0
135.11694	2.8
143.08557	1.3
145.10129	2.7
146.10532	1.4
147.11743	2.0
148.12115	0.7
149.09602	0.7
149.13225	1.2
157.10184	0.8
159.08130	0.6
159.11687	2.6
160.12125	0.6
161.13246	0.8
163.11159	1.2
173.13307	1.5
184.07388	0.6
185.13350	1.0
189.11320	0.8
219.17502	0.9
227.12901	1.6
228.13185	0.8
229.04240	0.6
243.08528	2.5
262.22504	0.6
275.20139	4.0
276.20499	1.8
329.17209	14.4
331.22647	0.6
335.25800	8.4
335.29428	0.7
336.26111	7.6
337.27032	0.6
349.23642	3.1
350.23984	3.3
486.64801	0.5
506.35587	1.0
519.29572	4.3
547.25415	2.8
609.45044	3.4
610.45490	10.3
627.46063	0.8
628.46417	2.1
712.44922	0.5
825.47540	100.0
826.47748	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	825.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	6.0
65.03963	0.6
67.05505	16.7
68.05831	1.1
69.03426	3.9
69.07072	6.6
71.04987	1.9
73.02911	5.2
79.05493	12.5
80.05830	1.0
81.03415	3.0
81.07060	15.5
82.07388	1.4
83.04984	1.3
83.08654	3.0
85.02905	6.2
85.06524	0.6
91.03961	2.9
91.05485	10.2
92.05788	0.9
93.07046	12.5
94.07394	1.4
95.04983	1.1
95.08610	10.0
96.08942	0.7
97.02889	5.3
97.06535	1.3
97.10165	3.6
99.04414	0.6
99.08072	0.6
101.02404	1.8
102.58729	0.5
105.04549	0.5
105.07036	8.1
106.07376	1.2
107.04964	1.2
107.08598	9.0
108.08955	1.6
109.02861	0.7
109.06552	0.9
109.10163	4.9
110.10505	0.6
117.07023	3.3
119.08579	6.9
121.06541	1.1
121.10146	4.4
122.10458	1.0
123.08135	0.9
123.11720	1.3
125.09643	2.8
127.03930	1.6
129.05548	0.6
129.07036	1.6
131.08594	3.6
133.10130	3.4
135.08044	1.0
135.11694	2.8
143.08557	1.3
145.10129	2.7
146.10532	1.4
147.11743	2.0
148.12115	0.7
149.09602	0.7
149.13225	1.2
157.10184	0.8
159.08130	0.6
159.11687	2.6
160.12125	0.6
161.13246	0.8
163.11159	1.2
173.13307	1.5
184.07388	0.6
185.13350	1.0
189.11320	0.8
219.17502	0.9
227.12901	1.6
228.13185	0.8
229.04240	0.6
243.08528	2.5
262.22504	0.6
275.20139	4.0
276.20499	1.8
329.17209	14.4
331.22647	0.6
335.25800	8.4
335.29428	0.7
336.26111	7.6
337.27032	0.6
349.23642	3.1
350.23984	3.3
486.64801	0.5
506.35587	1.0
519.29572	4.3
547.25415	2.8
609.45044	3.4
610.45490	10.3
627.46063	0.8
628.46417	2.1
712.44922	0.5
825.47540	100.0
826.47748	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	1.3
61.02918	2.1
65.03938	5.2
67.05505	79.4
69.03406	5.1
69.07068	28.2
69.25521	4.5
69.25950	4.0
71.04988	4.7
79.05493	62.7
81.03410	6.3
81.07055	76.2
83.04986	6.4
83.08621	11.2
85.02896	5.0
85.06533	3.1
91.04899	2.4
91.05478	50.5
93.07044	66.9
95.04960	9.1
95.08608	55.4
97.02870	4.2
97.06532	8.3
97.10179	10.7
98.21534	2.3
99.04452	1.9
99.08117	2.4
103.05453	1.4
105.04499	1.4
105.07034	44.4
107.04941	3.9
107.08595	42.5
109.02881	2.2
109.06529	7.6
109.10156	27.1
111.04503	1.1
111.08068	4.3
115.05435	1.3
117.07018	17.1
119.08584	29.2
121.06523	3.3
121.10141	27.9
123.08042	2.1
123.11732	7.7
125.09624	8.8
127.03923	2.5
128.06184	1.5
129.05533	1.8
129.06979	5.4
131.08571	25.2
133.06454	1.2
133.10127	21.7
135.08046	3.5
135.11693	15.0
137.09599	2.5
141.06993	2.3
143.07549	1.0
143.08521	7.0
145.10126	19.4
147.08047	1.4
147.11696	17.1
149.09604	8.4
149.13278	6.4
151.11200	1.2
155.08578	2.5
155.10599	1.2
157.10153	6.9
159.11697	17.1
161.13255	8.0
163.11180	4.3
163.14838	2.6
165.12753	2.9
167.08504	1.1
169.10091	3.4
171.10243	2.2
171.11700	4.5
173.11636	2.8
173.13264	11.0
175.11183	1.6
175.14819	3.3
177.12711	2.5
177.16341	1.3
179.14252	1.4
183.11681	3.7
185.13293	6.3
187.11188	1.8
187.14853	3.6
189.11252	5.7
189.12697	1.4
195.11923	1.0
197.13313	2.8
199.14775	1.2
201.16302	1.6
203.14241	2.4
211.14796	1.9
213.16478	1.2
215.18126	1.9
217.15874	2.1
219.17459	2.8
220.18478	1.0
221.29135	1.3
227.12794	11.1
229.14308	7.0
229.19438	1.7
233.18893	1.2
239.17906	4.4
241.19612	1.5
243.21117	3.6
247.20604	1.9
255.15990	2.5
257.19049	11.0
259.20483	3.0
261.22092	9.3
267.15945	3.4
269.17288	4.9
275.20062	40.2
277.21841	1.2
293.21091	3.4
309.20566	2.7
317.24756	3.0
331.22678	4.1
333.24170	4.3
335.25790	100.0
349.23737	41.0
351.25409	1.7
367.24747	1.3
373.18445	1.4
389.18317	1.6
489.35599	10.9
505.34988	3.0
513.39392	1.4
515.37378	5.0
517.40430	1.5
529.38818	7.5
555.40442	1.7
569.41772	3.9
609.45099	59.3
627.46106	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	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04979	0.9
61.02913	2.7
65.03920	4.0
67.05508	90.3
69.03429	7.5
69.07072	27.7
70.76664	0.8
70.77001	1.6
71.04995	5.2
71.08629	1.0
73.02921	2.1
73.45226	0.8
77.03912	2.1
79.05497	66.2
81.03419	10.3
81.07058	88.0
83.04987	10.2
83.08620	14.7
85.02914	4.2
85.06538	2.8
91.03965	2.1
91.04900	1.8
91.05483	50.7
93.07046	76.7
95.04974	10.7
95.08610	53.9
97.02875	4.5
97.06539	11.0
97.10197	4.8
97.10718	0.8
99.04471	1.5
99.08089	3.0
103.05478	2.3
105.04506	2.4
105.07031	38.5
107.04950	5.4
107.08595	46.5
109.06513	7.0
109.10155	25.2
111.04414	1.4
111.08082	6.5
113.09691	1.1
115.05470	1.7
117.07021	19.8
118.27630	0.9
119.08583	30.0
121.06480	4.5
121.10146	28.8
123.08070	3.4
123.11720	6.8
125.09627	2.9
127.03916	2.6
128.06248	1.2
129.05492	2.5
129.06993	5.6
131.08577	23.6
133.06534	1.7
133.10136	25.4
135.08073	3.5
135.11699	23.6
137.09592	3.1
137.13269	1.9
139.11172	1.5
139.83830	1.0
141.06998	2.0
143.08557	5.7
145.10138	17.7
147.08044	1.2
147.11688	14.0
149.09622	8.8
149.13261	14.5
151.11179	2.2
153.12791	1.0
155.08549	2.9
157.10118	5.1
159.11682	16.3
159.12895	1.5
161.09616	1.2
161.13258	7.1
163.11171	5.8
163.14810	1.9
165.12758	1.5
169.10126	2.8
171.10378	0.9
171.11691	4.8
173.04449	2.0
173.13257	9.1
175.11182	1.4
175.14798	3.8
177.12753	3.0
177.16280	0.9
181.09970	1.5
181.12340	1.1
183.11658	2.1
184.30539	0.9
185.13268	4.0
187.14801	3.2
191.14166	1.1
195.13815	3.4
197.13338	2.2
199.14836	3.0
201.16408	2.1
203.14368	0.9
213.16501	1.3
217.15916	1.8
219.17442	1.4
227.12805	2.7
229.14328	5.8
229.19505	1.7
235.16852	1.4
239.17897	3.6
241.19415	1.2
243.21117	2.5
247.20752	1.1
255.15921	9.7
257.19077	5.8
259.20554	3.1
261.22177	12.7
266.23370	0.9
267.15878	3.0
269.17499	25.8
275.20081	24.4
275.22366	0.7
277.21616	1.1
279.15781	0.9
293.21002	3.0
309.20566	5.0
317.24713	2.9
331.22635	2.2
333.24304	1.3
335.25809	100.0
336.26260	1.1
349.23758	21.0
351.25253	1.4
367.24759	4.1
413.21466	1.8
437.34241	1.3
476.61627	0.9
489.35721	4.0
515.37372	14.9
529.38892	65.8
530.39093	2.7
551.40460	0.9
569.41992	15.2
609.45215	25.9
627.46002	9.9
673.42499	1.5
675.78937	0.9
685.48950	0.9
771.50415	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.8
67.05506	3.7
68.05025	0.4
69.03426	2.1
69.07070	1.0
70.06592	6.7
71.04992	1.3
71.06907	0.2
72.08161	1.0
73.02896	0.3
79.05489	1.4
81.03424	3.3
81.07059	3.7
82.06593	0.2
83.04987	5.3
84.04507	0.4
84.08146	42.8
85.02912	2.8
85.03387	0.3
85.06550	0.6
85.08489	0.4
86.06084	0.3
86.09710	2.5
87.04487	0.2
91.05482	13.5
93.07045	5.0
95.04964	0.9
95.08614	0.6
96.08163	0.2
97.02883	1.4
97.06538	1.1
97.08907	0.3
98.09697	5.5
99.04463	1.6
102.05537	0.3
103.05550	0.2
105.06329	0.3
105.07036	4.2
107.04926	1.0
107.08599	5.6
109.02880	2.4
109.06525	1.2
109.10171	0.9
110.07181	0.7
111.04451	1.8
111.08102	0.7
112.08730	0.2
113.06049	0.2
115.21326	0.2
115.78867	0.2
117.07019	0.6
119.04947	26.8
119.08566	1.5
120.08115	1.5
121.06513	2.5
121.10142	5.8
122.06053	0.2
123.08105	0.5
125.05900	0.2
125.07121	0.2
126.12794	22.3
127.03921	3.4
127.07595	0.2
129.05472	1.1
129.10233	1.2
131.08597	0.6
133.06494	0.2
135.04395	0.2
135.08057	1.6
135.11690	2.0
136.07593	0.5
137.09624	0.5
139.07603	0.3
139.11220	0.5
140.14375	1.7
144.12889	0.2
144.13844	12.1
145.10120	5.1
147.04413	100.0
147.11710	0.6
148.04750	1.0
149.05978	0.3
149.09624	2.4
151.07602	0.3
154.35901	0.2
157.06570	0.3
158.15431	0.3
161.09656	0.2
163.11188	12.1
165.09050	0.3
167.10690	2.6
169.08585	1.6
173.09616	1.1
173.13025	0.2
181.12196	1.7
184.10919	0.3
185.11736	0.3
187.07623	0.2
187.10892	0.6
191.10681	8.0
201.05544	0.9
209.11703	2.4
212.10440	0.3
213.08957	0.2
217.05035	0.4
227.12781	3.7
275.09125	3.2
287.05579	0.9
288.06027	0.3
290.17529	6.2
293.10236	0.8
299.13126	0.2
309.17029	0.2
317.06757	0.3
335.15143	0.4
353.15906	1.9
371.17062	1.0
436.23450	0.7
517.20557	0.3
533.20410	0.2
605.22333	0.3
739.06177	0.2
754.51636	0.2
762.36963	1.7
766.49561	0.2
801.32672	0.3
806.37067	0.2
824.40656	59.4
825.40906	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	824.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04513	0.2
65.03943	2.2
67.05513	3.1
69.03432	2.2
69.07085	1.0
70.06606	2.4
70.75721	0.5
71.05000	1.5
71.06926	0.2
72.08151	0.4
77.03889	0.2
77.12522	0.2
77.86503	0.2
79.05495	2.3
79.83003	0.2
81.03425	3.7
81.07067	5.0
83.04990	6.0
84.04482	0.3
84.08150	33.7
85.02910	2.4
85.06532	0.7
86.09705	0.8
91.05487	14.1
93.06482	0.4
93.07056	6.2
95.05006	0.9
95.08600	0.8
96.08124	0.3
97.02893	1.3
97.06541	1.3
97.08922	0.2
98.09711	2.0
98.97576	0.2
99.04471	2.1
101.06034	0.4
103.05525	0.2
105.07036	4.8
107.04986	1.1
107.08602	6.9
109.02894	2.9
109.06551	1.3
109.10157	0.9
110.07122	0.2
111.04469	1.5
111.08086	1.2
112.66713	0.2
113.06026	0.3
117.07020	0.8
119.04953	27.0
119.08578	1.8
120.08099	0.5
121.06525	2.9
121.10152	7.5
123.08087	0.7
124.11237	0.2
126.12806	22.3
127.03933	3.9
127.07608	0.9
127.13161	0.2
129.05498	1.0
129.06987	0.3
129.10193	0.5
131.08589	0.8
135.08076	1.6
135.11711	2.0
137.09589	0.4
139.07565	0.4
140.14413	0.3
143.08582	0.4
144.13847	35.9
145.04942	0.2
145.10138	6.5
145.14133	0.2
147.04422	100.0
147.11710	0.9
148.04788	0.6
149.09634	2.4
151.07565	0.5
158.15425	0.4
163.11192	13.8
167.10670	3.2
169.08665	1.4
173.09586	1.6
181.12279	2.7
182.35960	0.2
185.11795	0.4
191.10683	7.9
201.05502	0.7
209.11713	2.5
217.04912	0.3
227.12770	2.6
247.83784	0.2
272.16336	0.2
275.09167	1.4
290.17526	17.8
291.17950	0.2
293.10245	0.2
309.17087	0.2
335.14825	0.2
341.57101	0.2
353.16068	1.0
367.16162	0.3
371.17096	0.9
371.91794	0.2
436.23627	1.2
464.01730	0.2
535.22473	0.2
569.31232	0.2
581.75037	0.2
654.20935	0.2
762.38715	0.2
824.40698	55.3
825.40814	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	9.3
57.07061	4.2
65.03941	4.2
67.05508	61.0
69.03430	4.6
69.07072	23.9
69.27853	4.9
69.28275	8.7
69.61096	1.8
71.04997	3.3
77.03928	2.0
79.05494	48.1
81.03419	3.6
81.07061	70.0
83.04964	5.0
83.08611	10.3
85.02906	2.6
85.06545	3.9
91.05486	71.7
93.07048	55.3
93.55949	1.6
95.04982	8.9
95.08612	51.1
97.02931	3.0
97.06528	4.7
97.10165	10.9
103.05480	4.4
105.07033	54.2
105.11491	1.9
107.04933	5.7
107.08598	29.2
109.06524	9.7
109.10159	16.2
111.08090	2.6
115.05474	6.4
116.06253	4.8
117.07017	41.6
119.04874	1.8
119.08582	37.8
121.06522	7.0
121.10150	15.1
123.08076	5.4
123.11692	2.9
125.09631	4.2
127.11213	1.7
128.06215	16.8
129.07011	22.1
130.07782	10.5
131.08577	82.9
133.06494	5.3
133.10143	20.2
135.08041	4.8
135.11682	11.1
137.09639	2.1
139.11183	2.5
141.07005	11.4
142.07805	5.8
143.08563	85.9
144.09319	1.7
145.06558	3.2
145.10126	90.8
147.08092	8.0
147.11671	9.6
149.09625	4.5
149.13275	5.7
154.07668	2.0
155.08559	8.9
157.06529	2.0
157.10114	24.8
159.08084	3.5
159.11707	16.3
161.09621	10.0
161.13290	5.2
163.11227	4.6
165.06973	3.5
167.08514	4.8
169.10158	14.5
171.11662	18.1
173.09650	3.9
173.13300	6.0
175.11206	3.5
177.12691	2.7
181.10120	10.9
182.10985	2.2
183.11697	11.3
185.13272	7.6
187.11234	3.1
187.14853	2.3
189.12724	2.3
193.51884	1.6
195.11731	19.8
197.13301	1.7
199.14905	3.2
201.12770	3.5
201.14848	1.6
209.13199	2.6
211.14821	2.6
213.12775	5.5
227.17979	3.4
237.16408	21.1
241.14278	3.4
245.18970	6.2
255.17441	25.2
259.20639	2.3
261.22122	7.0
273.18500	79.1
274.18945	2.1
275.20221	3.5
291.19696	4.4
327.02682	1.8
329.21136	11.3
335.25824	95.7
336.26236	2.6
347.22180	53.9
349.23938	2.6
552.83063	1.7
589.42004	5.3
607.43573	100.0
608.44067	2.8
625.44568	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	823.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04511	0.2
61.02919	0.9
67.01871	2.0
67.05505	0.7
68.05035	0.3
68.99796	0.6
69.03435	12.2
69.07047	0.3
70.06597	6.1
70.18755	0.6
71.05000	2.0
71.06899	0.2
72.08166	0.9
73.02917	0.5
74.06089	0.2
79.05502	0.5
81.03423	16.7
81.07047	0.5
83.01353	0.3
83.08632	0.2
84.04501	0.6
84.08151	3.1
85.02911	9.8
85.06538	0.8
86.06065	0.4
86.09713	1.8
87.00838	1.3
87.05621	0.2
88.03992	0.3
91.03946	0.3
91.05474	0.8
93.07050	0.9
95.04971	0.4
95.08640	0.2
97.02899	14.9
97.06500	0.2
98.09709	0.8
98.20852	0.2
99.04466	4.6
99.05103	0.3
103.05510	0.3
103.07592	0.4
105.01867	0.5
105.07020	0.6
107.04950	0.3
107.08627	0.2
108.08122	0.2
109.02887	14.3
109.10142	0.2
110.07165	0.8
111.00823	0.5
111.04443	0.3
115.03938	0.4
115.08755	0.2
119.04945	0.4
119.08606	0.3
120.08127	1.4
121.02869	3.6
121.10091	0.3
126.12829	0.3
127.03925	34.2
127.08684	0.3
128.04248	0.4
129.01830	0.2
129.10222	0.8
131.08571	0.2
133.02811	0.4
133.10085	0.3
135.04398	0.2
136.07603	0.8
137.02362	0.5
137.06006	0.2
140.14342	0.4
144.13892	0.4
145.04971	2.0
146.03096	0.2
147.04427	2.4
153.01859	2.2
161.06036	0.2
163.11252	0.2
165.01843	1.0
169.05009	0.3
171.02937	0.3
171.04324	0.3
173.12877	0.3
183.02884	0.6
185.05919	0.4
187.06027	6.8
187.07695	0.3
213.03819	1.4
213.05568	0.7
213.08716	0.2
229.10722	2.8
231.04895	1.5
241.05006	1.0
245.04526	0.4
247.11769	1.0
254.11548	0.2
258.05295	0.5
273.06161	0.9
286.04761	0.4
287.05508	100.0
288.05817	1.5
290.17252	0.2
291.07132	1.0
299.05444	0.5
311.05481	0.2
329.06689	1.5
395.07553	0.8
395.19144	0.2
499.08896	0.2
533.16772	2.8
559.10254	0.3
588.30310	0.3
589.30505	0.3
592.87128	0.2
724.87567	0.2
824.39447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.2
57.07069	2.1
59.91439	0.9
61.02937	1.5
65.03939	4.1
67.05510	53.0
69.03414	3.4
69.07072	16.2
70.06586	4.0
70.09455	1.6
70.09830	1.5
71.04985	3.8
79.05022	1.2
79.05496	40.6
81.03416	3.8
81.07059	48.9
83.04990	4.1
83.08623	9.3
85.02904	2.1
85.06550	2.4
91.05486	50.5
93.07047	45.2
93.07639	1.9
95.04970	5.8
95.08609	38.9
97.02898	1.6
97.06522	4.5
97.10155	5.5
98.20815	1.1
103.05476	2.5
105.04544	1.2
105.07036	39.4
107.04976	4.7
107.08605	22.2
109.06552	4.8
109.10160	15.5
111.08070	3.0
115.05473	5.2
116.06249	2.2
117.07019	25.3
119.04974	1.1
119.08595	28.7
121.06513	4.5
121.09312	1.7
121.10141	16.7
123.08086	4.8
123.11713	3.9
125.09641	2.6
128.06239	13.5
129.07013	15.5
130.07811	4.5
131.08578	47.1
133.06479	4.4
133.10150	15.7
135.08047	3.5
135.11707	8.7
137.09619	1.8
139.11230	2.0
141.06976	7.2
142.07799	5.0
143.08569	45.0
145.06467	2.7
145.10129	50.2
147.08102	5.4
147.11676	5.6
149.09650	3.7
149.13268	2.9
153.06999	1.2
154.07813	1.1
155.06128	0.9
155.08514	4.8
157.10120	11.6
159.08070	2.7
159.11708	12.7
161.09631	6.0
161.13293	3.3
163.03926	0.9
163.11172	2.9
163.14822	2.2
167.08597	2.0
169.10120	8.6
171.08134	1.4
171.11661	9.6
171.12813	1.1
172.12149	1.4
173.09634	1.7
173.13263	5.2
175.11203	3.5
177.12785	2.2
180.09366	1.3
181.10133	6.4
183.11674	6.3
183.14906	1.9
185.09390	1.2
185.13254	4.9
187.11317	1.4
187.14888	2.2
189.12813	1.0
191.14417	0.9
193.12151	1.0
195.11688	10.6
197.13310	1.3
199.11174	2.6
199.14886	2.1
201.12744	2.3
209.13292	1.6
211.14653	2.8
213.12700	2.6
227.12712	1.2
227.17949	3.0
231.17517	1.2
237.16383	12.1
241.14565	1.4
243.21173	2.0
245.19040	2.7
255.17448	12.0
261.22195	3.9
273.18506	43.6
275.20053	3.1
290.18320	1.2
291.19589	1.3
317.24908	1.7
329.21112	7.1
333.24271	2.0
335.25812	100.0
336.26111	3.6
347.22180	29.8
349.23758	1.4
365.23465	1.5
413.31223	1.0
519.36462	1.2
533.39429	1.2
589.42279	1.1
607.43561	71.2
608.43579	2.7
625.44727	19.3
630.59448	1.1
642.45270	1.2
740.82275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.9
57.07074	1.9
61.02907	1.6
61.21505	0.7
65.03947	3.7
67.05507	64.2
68.05837	0.6
69.03426	4.8
69.07072	17.0
71.04996	4.6
73.02895	0.7
77.03888	0.9
79.05496	49.7
79.95157	0.8
81.03418	5.4
81.07058	68.9
83.04989	11.4
83.08620	7.6
85.02882	2.6
85.06532	5.5
88.94800	0.6
91.05484	55.9
93.07049	48.9
93.07548	0.6
95.04973	10.5
95.08611	34.3
97.02872	1.4
97.06538	5.5
97.10165	2.3
99.04440	2.2
99.08081	1.3
100.11302	0.7
103.05469	1.8
105.04539	1.3
105.07037	44.9
107.04973	4.9
107.08595	38.9
109.02864	0.8
109.06524	7.7
109.10161	50.5
111.08091	3.8
113.06002	1.8
115.05476	1.2
117.07019	9.9
119.08582	16.2
121.06493	5.9
121.09328	1.3
121.10143	16.2
123.08100	3.7
123.11703	10.6
125.09617	1.3
127.07543	1.7
129.06999	3.5
130.07700	0.7
131.08582	15.1
132.05768	0.7
133.06517	3.7
133.10133	55.7
134.10524	0.8
135.08072	6.6
135.11684	11.2
137.09630	2.9
137.13208	1.4
139.07610	1.5
139.11179	1.0
141.07001	1.0
143.08553	4.4
145.10136	9.0
147.08049	3.0
147.11694	7.0
149.09647	4.6
149.13274	5.2
151.11191	26.1
153.12718	1.0
155.08514	0.9
157.10094	3.5
159.08049	1.7
159.11713	5.9
161.09641	6.0
161.13287	4.7
163.11165	2.7
163.14786	1.8
165.12698	1.2
169.12193	3.5
171.11679	3.3
173.09642	0.9
173.13310	4.6
175.11244	2.4
175.14824	2.4
177.09103	1.7
177.12767	1.9
177.16299	0.7
179.10664	1.8
183.11734	1.5
184.07292	1.0
185.13239	1.5
187.11226	1.0
187.14833	1.5
189.12692	1.0
199.14748	1.1
201.16360	0.9
203.14409	1.2
211.14905	1.0
215.12764	2.7
215.17841	1.1
227.17946	2.2
233.22623	1.2
237.16406	1.2
241.19655	1.2
243.21117	3.8
245.19102	4.4
251.12804	2.7
253.14355	100.0
254.14693	1.0
255.17444	1.5
259.20621	1.8
261.22165	11.0
263.20071	3.7
267.09119	0.8
271.15320	2.0
273.18509	20.6
274.18765	0.8
291.19550	25.0
309.20541	2.4
317.24942	1.1
324.33557	0.7
329.20868	0.9
333.24289	1.7
335.25809	61.4
336.26126	1.7
347.22119	6.5
363.25439	1.8
365.23257	34.0
373.72656	0.8
439.32217	2.0
457.33096	2.0
513.35974	5.9
529.35022	2.0
531.36835	16.0
589.41901	0.8
607.43317	5.9
611.46478	1.1
625.44629	64.2
626.45062	2.3
643.45551	1.2
837.23065	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	11.4
57.07065	2.7
58.94780	0.8
61.02920	2.1
65.03954	5.7
67.05509	88.1
69.03442	6.5
69.06729	1.6
69.07069	21.3
71.01448	1.7
71.04994	5.9
73.02942	1.3
77.03931	1.2
79.05498	61.8
81.03423	9.6
81.07062	91.2
81.13782	0.9
82.07388	0.9
83.04987	24.7
83.08623	11.5
85.02898	2.4
85.06551	4.9
89.06054	1.2
91.05486	65.2
93.07050	68.9
95.04980	11.4
95.08612	53.2
97.02882	3.2
97.06541	6.5
97.10191	4.2
99.04441	1.8
99.08089	1.9
103.05445	1.4
105.04527	2.7
105.07037	51.5
105.19196	1.0
107.04963	9.9
107.08599	47.7
108.46844	0.8
109.02904	1.4
109.06516	9.7
109.10162	48.7
111.04426	1.7
111.08082	5.5
113.06037	2.0
115.05451	2.2
117.07028	12.7
119.08589	31.6
121.06494	7.2
121.10142	19.9
123.04407	1.1
123.08073	6.4
123.11727	10.5
125.09647	3.4
127.07578	3.1
128.06200	2.1
129.07014	5.2
131.08574	22.6
133.06500	7.3
133.10136	59.9
135.08054	10.4
135.11699	14.4
137.05965	1.1
137.09625	4.7
137.13301	1.1
139.07539	1.4
143.08575	8.3
145.06499	1.9
145.10141	13.7
147.08047	6.2
147.11681	9.9
149.09651	7.4
149.13280	6.7
151.09979	1.4
151.11189	25.8
151.13065	1.4
155.08551	1.4
155.13104	0.9
157.10135	5.3
159.08072	5.3
159.11685	7.3
159.69263	1.0
161.09612	9.6
161.13271	3.8
163.07530	1.6
163.11180	2.9
163.14795	2.4
165.09058	1.5
165.12720	1.6
169.10088	2.6
169.12219	4.6
171.11720	5.1
173.09586	2.2
173.13284	5.5
175.11259	4.8
175.14789	1.7
177.09117	1.9
177.12756	2.1
177.16296	1.0
179.10725	2.0
183.11722	2.1
184.07350	3.4
185.09610	1.3
185.13275	3.1
187.14885	1.5
189.12737	2.3
189.16449	1.1
191.14302	1.0
195.11668	1.9
201.16446	1.1
203.14401	1.3
211.13261	1.0
213.12787	1.1
213.16270	1.4
215.12762	2.6
223.13248	2.9
227.17964	2.4
243.21138	3.4
245.19080	6.3
251.12862	4.3
253.14366	67.9
255.17564	4.2
259.20480	1.4
261.22110	10.9
263.20093	3.5
271.15509	2.6
273.18500	34.3
275.20123	1.9
289.18182	1.6
291.19547	40.2
309.20630	3.5
317.24896	2.2
333.24185	1.7
335.25818	72.2
336.25958	1.7
336.53082	0.9
337.27588	1.8
347.22162	13.3
365.23260	58.9
366.23889	1.1
383.24591	1.2
439.32632	1.4
454.10349	0.9
457.33224	1.3
503.37509	1.0
513.35596	8.2
529.35059	2.7
531.36853	10.5
533.39600	1.6
543.40149	1.4
599.00549	1.0
607.43433	9.3
625.44659	100.0
626.44781	2.8
632.20728	1.0
643.45575	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	822.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.6
57.07040	1.3
59.04977	0.8
61.02896	0.6
65.03904	2.1
67.05508	42.6
67.05843	1.4
67.48270	0.4
69.03430	8.8
69.07073	28.0
69.26093	3.4
71.03348	0.4
71.04986	2.9
75.78305	0.4
77.51894	0.5
79.05498	34.7
79.50572	0.4
81.03423	4.6
81.07061	37.2
83.04993	3.4
83.08620	9.6
83.19440	0.5
85.02881	1.8
85.06492	1.7
91.05485	22.4
93.07047	34.1
94.04156	0.6
95.01282	0.5
95.04974	9.0
95.08613	26.2
97.02899	8.7
97.06527	3.2
97.10175	11.6
99.08070	0.6
101.05951	0.5
103.05445	1.1
105.04493	1.0
105.07036	15.3
107.04974	5.1
107.08603	19.4
108.05687	0.7
109.02860	0.8
109.06528	3.1
109.10163	12.4
111.04368	0.6
111.08067	2.5
115.05434	0.6
115.51153	0.4
116.06243	1.0
117.06255	0.5
117.07018	8.1
119.04919	1.5
119.08583	13.9
121.06469	2.1
121.10146	12.4
123.08067	3.8
123.11697	3.0
125.09640	7.2
128.06154	0.7
129.07005	3.2
130.07771	1.0
131.08574	10.3
133.06528	2.3
133.09253	0.7
133.10143	7.0
134.07216	0.5
135.08052	3.1
135.11707	6.3
136.41653	0.5
137.09593	1.9
137.13257	0.7
141.06921	0.5
142.07744	0.7
143.08566	3.3
145.06425	0.6
145.10135	7.7
145.40440	0.5
147.07086	0.5
147.08052	4.6
147.11679	5.2
149.09604	1.6
149.13249	3.7
153.09087	1.1
157.10129	2.4
159.08023	0.8
159.11708	4.3
161.09583	2.8
161.13266	3.0
163.11162	1.3
163.14809	1.0
165.09062	1.9
165.12714	0.6
167.08469	0.6
169.10100	0.7
169.12225	0.9
171.10260	0.9
171.11674	1.9
173.13237	2.3
175.11183	1.7
175.14742	1.3
177.12695	1.3
177.16425	0.8
179.10638	0.6
184.07289	1.2
185.13220	0.8
187.14827	0.7
189.11276	3.1
189.12688	0.7
189.16408	0.6
193.12289	1.0
195.13716	1.5
199.14906	0.7
201.16385	0.5
205.12206	1.4
211.13232	1.1
218.11511	0.5
223.13297	17.6
227.12746	3.2
227.17871	0.6
243.21095	2.1
245.19032	1.4
249.14984	2.9
255.17384	0.8
261.22137	6.5
263.20212	0.7
267.15775	0.6
273.18491	10.7
291.19550	100.0
292.19824	1.6
309.20615	0.7
317.24838	3.2
335.25821	65.1
336.26208	1.1
347.22208	2.4
365.23242	57.9
366.23544	1.3
368.46838	0.6
399.45374	0.6
513.35571	0.6
527.37366	1.5
545.38275	3.1
557.38074	0.7
607.43848	2.3
625.44659	66.8
626.45062	2.2
643.46838	0.8
721.67932	0.5
792.66730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50175	10.6
60.30461	10.5
67.05501	26.6
69.07040	11.2
71.29726	15.9
79.05488	27.9
81.07047	20.7
91.05502	18.4
93.07035	25.4
95.08586	17.6
105.07005	19.3
107.08615	16.2
109.10181	13.8
121.10111	11.5
135.11661	11.9
166.89240	9.6
184.07358	18.1
261.22202	21.0
307.75085	10.1
335.25879	100.0
425.57870	10.9
449.51266	10.9
518.01520	11.9
613.48254	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.8
57.07079	0.5
58.59660	0.4
59.31165	0.4
61.02682	0.5
61.02938	4.5
65.03928	1.1
67.05510	26.4
69.03421	1.7
69.06727	0.9
69.07071	9.1
70.06600	3.5
70.13588	1.2
70.13976	1.2
71.04990	2.2
71.06300	0.5
72.08152	0.9
73.02929	2.5
79.05499	15.1
81.03419	3.0
81.07062	33.4
83.04992	2.8
83.08620	8.1
84.08150	2.1
84.33096	0.5
85.02914	7.6
85.06541	1.5
85.38313	0.5
86.09708	1.9
91.03964	4.1
91.05487	10.8
93.07052	23.1
95.04989	3.3
95.08610	10.5
97.02901	4.4
97.06535	3.7
97.10180	2.3
98.09689	0.8
99.04430	1.0
99.08075	1.2
103.05450	0.5
105.04561	0.7
105.07044	6.6
107.04969	1.1
107.08599	13.7
109.02879	0.5
109.06528	1.7
109.10182	3.3
111.08099	3.5
113.06011	0.5
117.07020	6.4
119.08602	3.8
120.08106	0.9
121.06514	1.8
121.10146	6.9
123.08067	1.2
123.11728	1.9
125.09682	1.0
125.15788	0.5
127.03903	2.0
129.07005	1.8
129.10210	0.5
131.08585	6.3
133.10146	8.8
135.08061	1.6
135.11700	5.8
139.11221	0.9
141.07001	1.0
143.08597	1.9
145.04973	2.1
145.10172	2.6
147.08072	1.1
147.11749	1.7
149.13277	11.6
151.11156	0.9
155.08554	1.1
157.10121	1.0
159.11708	5.8
161.09502	0.7
163.06059	1.5
163.11305	0.7
169.10103	0.8
171.11725	1.3
173.09604	0.9
173.13220	0.7
177.12767	2.9
181.09991	0.8
183.11662	0.8
185.13246	0.9
195.11908	0.9
195.13803	6.1
197.13290	0.6
209.13319	0.6
222.14066	0.6
229.14177	0.7
251.16447	1.7
267.15985	0.8
269.17484	19.5
325.25409	0.6
335.23749	0.9
353.24725	1.4
371.25745	1.0
413.21988	0.7
445.29550	13.2
463.30573	100.0
464.31155	2.7
481.31546	1.2
589.34082	0.7
607.34930	6.5
822.47900	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	820.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03205	1.6
57.03442	20.4
57.07057	3.7
59.05013	1.4
61.02929	1.9
65.03943	6.0
67.05508	66.7
69.03442	8.2
69.07070	19.2
69.27997	6.3
71.04980	2.5
79.05495	63.8
81.03411	3.2
81.07059	55.8
83.04980	5.4
83.08157	2.2
83.08622	34.1
85.06547	2.4
87.04453	1.3
91.05486	62.3
93.07049	55.2
95.04964	8.0
95.07993	1.7
95.08607	38.6
97.06517	3.8
97.10172	64.3
101.09662	1.9
103.05463	5.5
105.04550	1.3
105.07037	26.1
107.04949	4.5
107.08597	43.6
109.06511	4.4
109.10165	19.1
111.08101	3.7
111.59392	1.2
115.05450	7.2
117.07022	40.9
119.08588	71.2
121.06496	4.3
121.10151	17.3
123.08083	3.2
123.11693	3.8
125.09635	50.1
128.06215	3.7
129.07005	12.1
130.07806	1.6
131.07088	1.5
131.08568	27.3
133.06485	4.9
133.10138	9.7
134.48366	1.2
135.08052	15.8
135.11681	9.5
137.09631	2.7
141.07007	7.0
142.07787	2.0
143.08577	11.0
143.10698	3.1
145.06496	26.3
145.10136	11.8
147.08035	7.9
147.11668	6.0
149.09615	3.8
149.13211	6.5
153.09113	6.6
155.08557	7.6
157.10100	6.1
159.08051	14.1
159.11646	7.9
161.09601	5.4
161.13269	5.0
163.07536	2.0
163.11250	1.5
163.14825	2.4
167.08585	1.7
169.10103	5.2
171.08064	1.9
171.10132	4.5
171.11699	5.7
173.09537	5.7
173.13249	3.8
175.11049	1.3
183.11668	2.3
185.09636	1.9
187.11221	1.7
187.14832	5.7
189.11217	29.6
189.12556	1.1
197.13281	7.1
208.17450	1.2
215.14322	22.4
225.16280	2.9
227.12787	65.8
233.15276	1.5
233.22742	1.6
235.14717	2.5
243.17479	4.0
243.21091	2.9
245.13763	1.6
253.15875	4.9
261.22128	18.9
271.16934	64.1
289.17990	20.6
317.24811	3.2
327.19598	2.1
333.23801	1.4
335.25815	69.7
345.16791	2.3
345.20639	24.7
347.22067	1.7
363.17395	2.4
363.21683	30.0
391.28107	1.5
413.30707	1.6
431.31769	1.5
487.33917	4.4
505.35226	37.1
549.39240	2.2
605.41937	46.7
606.41821	1.4
623.43085	100.0
624.42963	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	820.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.7
57.07071	2.2
60.08144	1.1
65.03935	1.7
67.05511	34.0
69.03419	1.8
69.07072	9.5
71.04984	1.2
71.08612	0.8
75.48241	0.8
79.05495	22.2
81.07056	33.7
83.04984	2.7
83.08620	10.7
84.44957	0.8
85.06544	2.0
86.09692	3.7
91.05486	23.2
93.06481	1.7
93.07047	27.0
95.04967	1.8
95.08611	22.1
97.06540	2.0
97.10161	13.6
99.08118	0.8
103.05457	1.0
104.06232	0.9
105.07056	11.4
107.08593	15.5
109.06507	2.7
109.10163	11.4
111.08084	2.4
115.05438	2.0
116.06184	0.9
117.07023	15.0
119.08587	100.0
121.06483	1.1
121.10159	8.9
123.08056	1.5
123.11708	1.2
125.00011	3.1
125.09634	11.6
127.03875	0.9
128.06216	1.2
129.07019	5.3
131.08578	8.5
133.06544	4.1
133.10135	6.4
135.08054	6.1
135.11661	4.2
137.09616	1.6
141.06985	1.4
143.08537	3.1
144.05724	1.3
145.06485	2.5
145.10138	10.3
147.08046	8.0
147.11670	3.0
149.09625	2.1
149.13274	1.2
153.09076	1.6
155.08585	1.6
157.10132	10.8
159.08060	36.6
159.11713	3.3
160.11221	0.9
161.09674	4.5
161.13249	2.4
167.08574	1.2
169.10136	7.8
171.10220	1.6
171.11682	3.1
173.09631	8.6
173.13232	2.0
175.07571	1.0
175.11241	1.2
175.14835	1.0
179.03401	0.8
179.08655	1.0
181.10132	0.9
183.11707	2.7
184.07349	14.2
185.09599	1.8
185.13271	1.7
187.11154	0.9
189.11215	4.5
195.11688	0.9
197.13309	1.3
209.13229	1.7
211.14874	1.5
215.14371	1.4
223.14752	1.3
225.16385	4.1
227.12761	12.6
229.14301	1.7
235.14813	2.3
241.19577	1.1
243.17484	1.6
243.21217	0.9
245.13911	3.3
253.16096	4.2
258.08792	1.4
259.20697	1.6
261.22214	2.9
271.16940	15.0
275.20090	1.2
289.17978	13.5
313.27344	2.9
335.25818	61.8
336.26389	1.2
345.20572	3.5
349.23596	1.2
363.21674	24.2
367.24533	1.0
379.29852	3.0
441.71658	1.0
467.37173	1.6
505.35144	2.9
507.40369	2.4
531.37634	1.0
605.41058	4.0
623.43066	74.5
624.43402	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	7.5
57.07076	1.6
59.04999	1.3
61.02916	0.9
63.73832	0.7
65.03947	2.6
67.05508	49.9
69.03432	7.0
69.07075	14.1
70.17779	0.8
70.70321	0.9
70.70669	2.4
71.05005	2.1
72.63960	0.8
79.05496	46.1
80.62828	0.9
81.03418	2.1
81.07058	45.7
83.04994	5.0
83.08623	26.6
85.02939	1.8
85.06531	2.1
91.05486	44.5
93.07048	37.3
93.07640	1.7
95.04961	3.6
95.08609	23.6
97.06543	1.5
97.10175	60.6
101.09672	1.4
103.05466	2.4
105.07031	15.5
106.04127	1.0
107.04957	3.5
107.08601	35.4
109.06521	2.8
109.10163	16.0
111.08080	3.5
115.05460	3.8
117.07027	28.3
119.08588	69.4
121.06512	4.5
121.10159	10.0
123.08062	1.1
123.11707	2.8
125.09634	53.9
127.03929	1.6
128.06233	2.5
129.07004	3.4
131.08571	14.8
133.06573	1.3
133.10124	5.9
135.08058	12.8
135.11728	5.6
137.09645	1.7
137.13240	0.9
141.06993	2.5
143.08560	8.5
143.10692	2.5
145.06488	25.2
145.10146	7.9
147.08084	4.2
147.11697	4.2
149.13245	4.0
153.09099	5.9
155.08531	2.7
157.10135	3.9
159.08066	11.3
159.11702	4.4
161.09616	3.2
161.13306	2.8
163.07584	2.2
163.14833	1.9
169.10287	2.0
171.10178	5.2
171.11687	2.3
173.09653	4.4
173.13243	3.3
175.14850	1.1
177.16420	0.9
183.11626	0.9
185.09637	1.5
187.14832	2.4
189.11234	37.4
189.12962	1.9
195.11647	1.3
197.13210	2.0
201.12987	0.9
211.11198	1.2
215.14372	2.8
225.16441	2.8
227.12788	100.0
228.13094	1.0
233.22697	1.6
235.14767	1.2
243.17482	2.8
243.21109	4.1
245.13910	1.8
253.15901	2.4
261.22171	17.8
271.16931	67.7
272.17285	1.2
273.18628	1.6
275.19965	1.1
289.18015	16.5
289.20932	1.7
317.24673	2.3
327.19617	1.9
335.25809	43.2
337.04382	1.0
345.20636	15.4
363.21667	26.1
363.26221	1.3
364.21948	1.0
389.18359	1.6
413.30682	1.2
428.23111	1.0
487.34244	5.9
505.35233	14.6
605.41998	32.8
606.42535	1.5
623.43060	71.9
624.42926	2.6
649.39911	1.2
807.65839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.2
61.02935	0.4
67.05507	11.7
69.03427	1.2
69.07076	2.8
70.06582	0.4
71.04986	0.5
77.76878	0.3
79.05498	8.7
80.01578	0.4
80.05019	0.7
80.42379	0.3
81.03411	1.0
81.07060	10.9
83.04990	0.8
83.08624	1.4
84.30688	0.4
91.05479	5.7
93.05791	0.9
93.07049	8.1
94.02909	0.4
94.06547	0.7
95.04990	1.0
95.08613	7.3
96.04494	2.3
97.02895	0.4
97.06525	0.7
97.10170	0.4
98.06071	0.5
105.07036	3.9
106.06552	1.7
107.04968	0.5
107.08596	3.7
108.08122	3.6
109.06525	3.1
109.10154	5.4
110.06036	2.9
117.07022	1.2
118.06551	0.7
119.08593	2.7
120.08104	1.2
120.37114	0.4
120.63132	0.4
121.06506	0.9
121.10150	2.6
122.06039	4.3
122.09704	0.6
123.08041	0.7
123.11714	0.9
124.07587	2.1
127.03926	0.6
129.06952	0.5
131.08559	1.7
132.04501	0.6
132.08095	0.4
133.10149	1.9
134.06032	9.7
134.09604	0.6
135.04468	0.5
135.07999	0.6
135.11664	1.9
136.07582	100.0
137.08394	0.9
137.13290	0.4
138.09120	1.2
145.09009	0.4
145.10123	1.7
146.06023	3.3
147.08066	0.9
147.11732	0.9
148.07570	3.9
148.11159	0.5
149.13290	0.6
150.05502	1.8
150.09145	2.2
152.07079	2.6
157.10135	0.6
159.08015	0.4
159.11702	0.8
161.09598	0.7
161.13292	0.5
162.05508	13.2
162.09131	4.0
163.11143	0.4
164.07112	0.7
164.10733	0.7
171.11630	0.5
172.07584	0.5
173.04500	0.6
173.11911	0.4
173.13283	1.2
174.09106	0.6
176.07063	0.9
176.10672	2.2
186.09444	0.4
187.14868	0.6
201.12833	0.4
204.17516	0.5
215.14255	0.7
216.17493	0.5
217.15913	0.4
229.14247	3.1
232.16975	8.0
234.18475	2.8
242.15379	3.8
243.20976	0.5
244.16971	7.4
260.16483	23.3
261.22147	1.1
262.18036	15.8
270.14923	0.7
278.17517	23.4
280.19040	1.9
288.15976	8.2
288.19232	0.4
296.11212	0.6
300.19647	0.9
306.16995	41.5
307.17175	0.7
312.10760	0.7
318.20645	1.1
324.18091	8.9
335.25800	21.7
336.21765	5.6
336.25833	0.7
340.57510	0.4
362.19626	1.5
380.20682	21.1
387.21573	0.5
398.21719	7.9
489.35962	1.9
504.38272	0.7
578.41876	2.4
596.42944	6.2
622.40710	1.5
640.42053	32.5
641.42261	1.0
658.43146	3.7
757.64764	0.4
820.48547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
57.07052	0.3
59.05006	0.3
67.05505	11.7
69.03423	1.0
69.07066	2.4
70.81841	0.6
71.04975	0.7
79.05493	8.0
80.05001	0.5
81.03408	0.9
81.07056	10.2
82.06578	0.4
83.04991	0.3
83.08617	1.4
85.02903	0.5
91.05485	4.9
93.05800	0.7
93.06473	0.5
93.07044	6.8
94.06570	0.9
95.04980	1.3
95.08605	6.8
95.09175	0.5
96.04498	1.7
96.08145	0.5
97.02875	0.5
97.06542	0.5
97.10161	1.1
98.06059	0.8
99.08051	0.3
102.38469	0.3
105.04510	0.3
105.07043	2.9
106.06554	1.8
107.08593	3.8
108.08115	4.0
109.02888	0.4
109.06509	3.6
109.10164	4.0
110.06054	2.5
117.07020	1.2
118.06536	0.5
119.08579	2.6
120.08103	0.9
121.06480	0.6
121.10133	2.4
122.06028	4.6
123.06848	0.3
123.08073	0.5
123.11719	0.8
124.03954	0.9
124.07604	1.6
125.09656	0.7
126.05474	0.6
127.03920	0.4
129.07022	0.5
131.08575	2.1
132.04457	0.6
133.09029	0.3
133.10126	1.0
134.06021	10.4
134.09659	0.5
135.04462	0.4
135.08058	0.5
135.11673	1.5
136.07578	100.0
137.08206	0.4
137.09462	0.3
137.13240	0.4
138.09155	1.1
143.08546	0.5
144.08144	0.2
145.10136	1.4
146.06032	1.5
146.09601	0.3
147.08060	0.7
147.11687	1.0
148.07565	3.1
149.09555	0.3
149.13237	1.0
150.05511	1.0
150.09122	1.3
152.07059	2.4
154.08557	0.4
159.08057	0.4
159.11658	0.6
160.07585	1.7
161.08353	0.6
161.09593	0.6
161.13269	0.6
162.05508	11.0
162.09134	4.7
162.12788	0.4
163.11151	0.5
164.07060	0.8
164.10736	1.2
169.10077	0.3
173.04480	0.5
173.09639	0.3
173.11763	0.6
173.13281	0.9
174.09149	0.4
176.07062	0.8
176.10713	2.2
178.12346	0.5
180.06577	0.7
187.14819	0.4
189.11275	0.6
190.12286	0.3
197.13312	0.5
204.17525	0.5
214.47069	0.3
215.14345	0.4
227.12756	1.0
229.14384	2.4
232.16965	7.8
234.18513	3.2
242.15411	3.7
244.16975	7.0
260.16458	19.3
261.22141	0.9
262.18021	12.7
262.20822	0.6
270.14902	0.4
278.17508	23.4
279.17664	0.3
280.19006	1.6
288.15927	6.3
288.19040	0.5
290.21014	0.3
296.11295	1.0
300.19571	0.7
306.16977	35.5
318.20593	1.0
324.18085	7.5
335.25800	14.1
336.21713	5.8
336.25931	0.4
362.19479	1.5
380.20676	21.1
381.21045	0.5
398.21729	1.8
489.35800	1.7
503.37094	0.5
504.38623	0.4
507.36511	0.3
578.41833	0.8
596.42987	3.4
622.40771	0.9
640.42041	23.3
641.42206	0.9
658.43115	3.4
765.84070	0.3
820.50983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
58.06601	0.4
65.03938	0.4
67.05508	4.5
68.05021	0.8
69.03440	1.3
69.07074	0.9
70.06596	12.4
71.01363	0.4
71.05000	1.5
71.51594	0.3
73.02914	0.6
75.04449	0.2
79.05500	0.3
81.07066	1.2
82.06593	0.4
83.05010	0.3
83.07362	0.4
84.08149	3.0
85.02911	2.6
87.00854	0.2
88.91238	0.2
91.05497	0.6
95.01340	0.8
96.08143	2.2
97.02902	1.0
98.09699	100.0
99.00824	0.7
99.10036	0.6
100.79865	0.2
104.62988	0.2
107.04909	0.4
109.10157	1.5
110.09742	0.2
111.04510	0.2
111.10493	1.1
111.11695	0.2
112.11226	1.0
115.03934	0.4
119.04954	1.6
138.12822	1.0
140.14349	39.6
141.01880	0.2
141.14682	0.3
145.02910	0.2
147.04419	9.8
149.06013	0.2
158.15419	3.3
177.05499	0.4
183.08133	0.3
211.07545	0.4
228.07883	0.5
234.04814	0.2
239.09749	0.2
242.09363	3.2
243.10164	0.4
256.15533	0.3
260.03607	0.2
295.09717	0.2
300.25647	0.2
304.19119	0.5
316.21631	0.2
370.18661	0.9
414.17667	0.3
441.77057	0.2
450.25000	1.1
498.24844	0.4
560.48059	0.2
612.27509	0.3
644.30811	1.1
716.33032	1.5
740.33337	0.4
758.33844	25.0
759.34552	0.9
774.33197	1.7
776.34216	0.5
784.31824	0.8
802.32819	13.4
803.32977	0.6
820.33820	19.8
821.34076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.7
61.02919	4.1
67.05511	4.6
69.03445	2.6
69.07058	1.6
71.05011	1.1
73.02912	3.5
79.05495	3.6
81.03432	1.2
81.07072	4.9
85.02917	5.3
86.09725	1.8
91.03965	2.7
91.05497	2.6
93.07047	5.1
95.08615	4.2
97.02936	4.7
99.04474	1.0
99.55930	1.0
101.02399	1.1
105.07048	2.8
107.08622	2.7
109.10178	1.9
119.08562	1.5
121.10172	1.3
121.61797	0.9
124.99976	1.3
125.29615	1.1
127.03867	1.5
131.08606	1.4
133.10141	1.1
150.03938	0.9
184.07314	7.2
191.64757	1.2
243.08427	2.8
262.40677	0.9
287.05753	1.3
368.86163	1.2
502.49429	1.2
519.29169	7.2
535.28699	4.8
569.75262	1.1
813.51221	100.0
814.51434	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	818.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.9
59.05001	1.2
61.02928	5.1
65.03933	1.0
67.05509	12.9
69.03424	3.0
69.07078	4.6
70.06260	0.7
70.06590	4.7
71.04997	1.1
71.51349	0.9
72.08160	1.2
73.02923	0.9
79.05499	12.1
81.03420	2.0
81.07057	12.8
83.04974	2.3
83.08618	9.6
84.04496	1.1
84.08130	2.4
85.02901	4.5
85.06553	1.3
86.09694	1.9
88.34669	0.6
91.03947	3.0
91.05476	14.4
93.07046	8.1
95.04963	3.6
95.08612	4.5
96.04488	0.9
96.81998	0.7
97.02893	3.3
97.06511	1.8
97.10175	17.2
98.09686	1.4
99.04462	0.7
103.05479	5.7
105.07035	12.3
107.04956	1.8
107.08589	8.5
109.06512	3.2
109.10152	5.1
111.08066	1.2
115.05458	2.9
117.07025	21.4
117.07863	1.2
119.08592	5.6
120.08096	1.3
121.06511	2.3
121.10151	2.0
123.08101	1.0
125.09634	15.0
127.03905	1.8
128.06215	1.3
129.07011	9.0
131.04909	1.0
131.08578	13.3
133.06505	3.3
133.10133	2.8
135.08066	3.7
135.97006	0.7
137.09637	0.9
141.06963	4.5
143.08553	5.1
145.06526	4.6
145.10127	5.2
147.04440	0.9
147.08034	1.5
149.09650	1.8
153.09111	2.3
155.08572	4.8
157.06514	2.8
157.10126	2.4
159.08051	2.3
159.11731	0.9
161.09587	1.0
163.11153	0.8
167.08589	2.8
169.06392	0.9
169.10153	3.3
171.08090	1.8
171.10313	0.9
171.11708	2.9
173.09720	1.0
173.13283	1.5
175.16965	0.7
179.08659	0.9
181.10129	1.8
183.08136	0.9
183.11699	1.4
185.09673	1.2
185.13263	1.7
187.11241	1.0
187.14882	5.2
189.11229	7.6
189.12756	1.1
195.11639	1.5
197.09724	1.1
197.13281	5.9
199.11165	1.6
209.13223	1.3
211.11122	1.2
211.14731	1.0
213.12776	2.1
215.14317	20.8
221.13354	0.8
223.11052	0.8
223.14963	0.8
225.12773	1.3
227.12753	10.6
227.14594	1.1
233.15363	1.0
245.13931	1.2
251.14491	1.1
257.15506	0.9
259.13232	0.7
269.15646	0.7
271.16812	0.8
321.22101	1.3
339.23383	1.3
349.21494	3.9
367.22696	6.6
368.49893	0.8
385.23599	5.5
403.24844	1.8
441.26392	40.5
442.26636	1.1
459.27438	100.0
460.27783	2.2
477.28439	11.3
603.31580	1.4
621.33130	0.9
711.72302	0.9
818.45886	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4633
Annotation	Aquilegioside G
Peak:m/z	Relative Intensity
57.03437	9.8
57.07073	3.1
65.03922	3.6
67.05509	100.0
69.03426	19.7
69.07076	15.3
69.85987	2.4
71.04982	5.9
71.52296	3.2
71.52666	3.1
79.05502	29.6
79.32656	2.5
80.53889	2.3
80.63209	2.6
81.03424	25.2
81.07064	42.9
83.04986	17.7
83.08626	10.2
85.02914	5.7
85.06547	3.4
91.05476	21.4
93.07047	37.1
94.16065	2.2
95.04956	5.7
95.08167	2.4
95.08634	28.1
97.02891	10.8
97.10184	5.6
99.04459	3.1
99.08131	2.3
105.07043	18.1
107.08609	19.6
109.02895	9.4
109.06504	3.2
109.10160	62.4
111.04392	5.3
111.08090	4.7
111.51239	2.4
117.07004	9.5
119.08595	13.2
121.10126	13.1
123.11681	4.5
125.09616	8.5
127.03909	8.9
129.05510	7.2
129.06995	5.6
131.08565	12.4
133.10127	12.4
135.11719	8.7
137.09650	4.4
142.07748	3.5
143.08472	2.3
145.10146	8.1
147.11687	8.2
149.13293	4.7
155.10617	4.5
159.11703	5.7
161.13290	4.6
169.10144	3.2
173.11783	19.0
173.13100	4.4
175.48773	2.6
189.11226	4.0
213.14792	3.6
220.16014	3.1
227.12546	3.8
229.14339	22.8
238.49889	2.8
243.21199	4.2
261.22192	7.1
299.14914	8.0
335.25824	57.0
351.22861	2.9
355.17627	2.7
369.24298	6.4
373.18597	25.9
405.26569	3.2
443.27640	3.1
461.29364	3.8
489.35736	38.2
615.38568	7.7
616.39001	3.1
633.40210	31.0
640.61548	3.6
651.41302	6.1
666.36176	2.9
691.09204	3.2
813.53723	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	811.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.0
61.02929	4.3
67.05500	6.5
69.03431	2.8
69.07070	1.4
71.52855	0.8
73.02912	3.5
79.05490	4.9
79.78874	0.7
81.03430	1.3
81.07069	4.6
85.02912	4.4
88.59504	0.6
91.03970	2.8
91.05487	3.1
93.07051	4.1
95.08592	3.6
97.02894	5.0
97.81317	0.6
97.88782	0.6
99.04475	1.2
101.02401	1.3
105.07028	3.0
107.08603	1.6
109.02827	0.8
109.10167	1.7
115.40110	0.6
117.06973	0.7
119.08615	2.0
121.10149	1.9
127.03947	1.7
131.08580	1.2
133.10150	1.0
135.11732	1.1
145.10124	1.3
159.11719	0.8
185.04301	1.1
192.70950	0.7
218.99138	0.6
219.17606	1.0
228.80135	0.6
243.08525	2.5
314.75882	0.6
315.19226	4.3
316.68695	0.6
335.25848	0.9
420.23544	0.6
467.99338	0.6
519.29272	6.3
533.27216	5.7
575.15485	0.6
811.49670	100.0
812.50299	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	811.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
57.07077	4.3
61.02930	0.8
65.76778	0.1
67.01829	0.1
68.99799	0.8
69.00141	0.1
69.03432	4.9
69.07041	0.1
69.34638	0.3
69.35065	0.5
70.06596	1.6
71.01324	0.1
71.04997	0.5
72.07772	0.1
72.08144	0.4
73.02917	0.8
74.06051	0.1
74.41196	0.1
78.98723	0.1
81.03420	6.8
81.07042	0.2
83.01329	0.2
83.04975	0.1
84.04528	0.1
84.08148	1.0
85.02907	7.1
85.06551	0.8
86.06056	0.2
86.09709	0.9
87.00832	3.4
87.05605	0.1
87.85241	0.1
91.03949	0.4
91.05463	0.2
92.02637	0.3
93.03387	0.3
93.07055	0.1
94.60408	0.1
95.04945	0.1
95.08614	0.1
97.02895	4.0
97.03528	0.2
98.06073	0.1
98.09699	0.8
99.04456	1.9
99.10021	0.1
103.07585	0.3
105.01862	1.8
107.08540	0.1
109.02883	5.2
110.07155	0.2
111.00789	0.1
115.03929	0.2
117.01857	0.7
119.04948	0.4
120.08094	0.2
121.02854	0.5
125.02406	0.1
126.03062	0.1
127.03920	7.6
129.01843	0.7
129.10223	0.3
135.04446	0.1
136.07510	0.2
137.02339	0.6
139.03905	0.6
140.14359	0.3
141.01811	0.1
145.04958	2.7
147.02917	0.2
147.04407	0.8
148.04742	0.2
151.03915	1.8
151.05069	0.1
153.01823	3.3
155.08240	0.1
158.15369	0.2
159.02895	2.4
159.09129	0.1
163.03947	0.2
165.01836	0.6
171.02859	0.2
171.11555	0.1
177.05438	0.3
179.68967	0.1
183.02957	0.1
193.47101	0.1
200.04675	0.1
201.05531	0.5
203.03441	0.2
213.03944	0.2
217.04939	0.2
218.05721	0.2
228.04140	0.5
229.04967	1.7
229.10713	3.7
231.02904	0.2
231.04901	0.9
243.06505	0.1
245.04532	0.3
246.05212	1.0
247.11787	1.2
256.03714	0.2
257.04489	1.6
260.03247	0.2
261.07535	0.3
271.06061	0.3
273.03900	1.0
274.04709	3.0
284.03174	0.3
285.03925	2.7
287.05557	0.3
301.03433	0.1
302.04218	10.6
303.04749	0.1
317.06555	100.0
318.06970	1.6
341.06473	0.3
359.03494	0.2
359.07697	1.2
365.41479	0.1
383.07623	0.1
398.35443	0.1
404.54657	0.1
424.42340	0.1
425.08688	0.3
479.11722	0.2
547.10413	0.3
549.20959	0.1
563.17572	5.0
564.17896	0.1
565.11847	0.4
759.84540	0.1
759.98169	0.1
811.37982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
60.50458	0.1
61.02937	0.9
65.03920	0.2
68.05021	0.1
68.05426	0.1
68.99788	0.7
69.03432	6.1
69.07061	0.1
70.06591	2.5
70.24837	0.4
71.01321	0.2
71.04987	0.8
71.06889	0.1
72.08157	0.5
73.02917	1.0
74.06059	0.2
81.03421	7.9
83.01352	0.2
84.04498	0.2
84.08154	0.5
85.02908	8.2
86.09711	0.8
87.00831	3.6
91.03951	0.3
91.16761	0.1
92.02609	0.4
93.03407	0.6
93.07027	0.2
97.02895	4.4
98.09686	0.5
99.04461	2.3
101.44965	0.1
105.01869	1.7
109.02884	11.1
110.07169	0.2
111.00764	0.2
115.03922	0.2
117.01853	0.8
120.08089	0.3
121.02857	0.7
126.03114	0.1
127.03919	10.7
129.01839	0.7
129.10269	0.4
135.04489	0.1
136.87683	0.1
137.02313	0.4
139.03935	0.7
140.14301	0.2
143.03340	0.1
145.04968	1.9
147.02904	0.3
147.04396	0.4
151.03908	1.8
153.01830	4.5
155.08232	0.1
158.15375	0.2
159.02896	2.6
163.03925	0.2
165.01830	0.5
169.04991	2.0
171.03049	0.1
173.05959	0.2
177.04086	0.1
177.05478	0.4
183.02881	0.2
187.06017	4.6
191.03430	0.1
201.05482	0.5
213.03943	0.3
215.03349	0.1
217.05008	0.4
218.05733	0.3
228.04181	0.7
229.04967	1.9
229.07133	0.7
231.02934	0.2
231.04962	0.7
243.06572	0.2
245.04424	0.6
246.05191	1.1
247.08226	1.0
256.03699	0.2
257.04446	1.8
260.03207	0.1
261.07553	0.3
271.05997	0.1
273.03867	1.3
274.04709	3.3
284.03140	0.3
285.03958	3.1
285.07166	0.1
287.01932	0.2
287.05402	0.2
302.04214	11.2
303.04572	0.2
317.06558	100.0
318.06879	1.7
329.06592	0.1
341.06653	0.2
359.07571	0.8
360.15564	0.2
383.07648	0.1
425.08862	0.4
529.09503	0.2
547.10980	0.2
563.13940	6.3
738.36993	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	811.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
60.50458	0.1
61.02937	0.9
65.03920	0.2
68.05021	0.1
68.05426	0.1
68.99788	0.7
69.03432	6.1
69.07061	0.1
70.06591	2.5
70.24837	0.4
71.01321	0.2
71.04987	0.8
71.06889	0.1
72.08157	0.5
73.02917	1.0
74.06059	0.2
81.03421	7.9
83.01352	0.2
84.04498	0.2
84.08154	0.5
85.02908	8.2
86.09711	0.8
87.00831	3.6
91.03951	0.3
91.16761	0.1
92.02609	0.4
93.03407	0.6
93.07027	0.2
97.02895	4.4
98.09686	0.5
99.04461	2.3
101.44965	0.1
105.01869	1.7
109.02884	11.1
110.07169	0.2
111.00764	0.2
115.03922	0.2
117.01853	0.8
120.08089	0.3
121.02857	0.7
126.03114	0.1
127.03919	10.7
129.01839	0.7
129.10269	0.4
135.04489	0.1
136.87683	0.1
137.02313	0.4
139.03935	0.7
140.14301	0.2
143.03340	0.1
145.04968	1.9
147.02904	0.3
147.04396	0.4
151.03908	1.8
153.01830	4.5
155.08232	0.1
158.15375	0.2
159.02896	2.6
163.03925	0.2
165.01830	0.5
169.04991	2.0
171.03049	0.1
173.05959	0.2
177.04086	0.1
177.05478	0.4
183.02881	0.2
187.06017	4.6
191.03430	0.1
201.05482	0.5
213.03943	0.3
215.03349	0.1
217.05008	0.4
218.05733	0.3
228.04181	0.7
229.04967	1.9
229.07133	0.7
231.02934	0.2
231.04962	0.7
243.06572	0.2
245.04424	0.6
246.05191	1.1
247.08226	1.0
256.03699	0.2
257.04446	1.8
260.03207	0.1
261.07553	0.3
271.05997	0.1
273.03867	1.3
274.04709	3.3
284.03140	0.3
285.03958	3.1
285.07166	0.1
287.01932	0.2
287.05402	0.2
302.04214	11.2
303.04572	0.2
317.06558	100.0
318.06879	1.7
329.06592	0.1
341.06653	0.2
359.07571	0.8
360.15564	0.2
383.07648	0.1
425.08862	0.4
529.09503	0.2
547.10980	0.2
563.13940	6.3
738.36993	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	810.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	19.1
59.04996	0.5
65.03934	0.5
66.04705	0.6
67.05492	0.9
69.03420	1.1
69.07063	2.1
69.36301	3.2
71.04993	1.2
71.08631	37.2
73.02911	2.0
73.06552	3.5
79.05480	1.6
81.07070	0.8
83.04986	0.5
83.08601	0.9
85.10184	20.8
87.04469	29.8
88.36855	0.5
89.06030	100.0
91.05480	10.5
91.07629	0.5
92.75049	0.4
93.07046	4.5
95.04994	1.5
95.08605	1.4
97.10184	0.7
103.05474	2.1
105.07019	3.9
107.04939	3.6
107.07032	1.1
107.08577	3.4
109.06529	0.7
109.10121	0.7
113.06020	0.5
115.05475	0.7
117.07031	2.4
117.09132	2.1
118.07792	0.9
119.04978	2.4
119.08577	5.4
121.06508	16.9
121.10161	1.0
123.08077	0.8
127.14829	1.9
129.07014	0.5
130.08630	2.0
131.07051	13.5
131.08049	0.6
131.08578	1.7
133.08604	68.1
135.08057	6.4
135.10138	0.5
135.11726	2.0
136.05171	1.7
142.08614	0.6
145.10118	1.6
147.08041	8.1
149.09624	4.0
149.13292	1.3
150.06746	3.4
159.10164	0.6
159.11642	0.6
161.09697	0.7
161.11734	0.7
163.11186	3.2
164.08356	1.0
165.09117	4.0
167.10698	1.9
168.65327	0.5
170.55009	0.5
173.09616	0.9
175.09683	8.6
175.11176	1.1
177.11230	26.8
177.12617	1.3
191.10649	3.2
191.14278	0.6
193.12323	1.8
207.13759	0.5
209.11710	1.8
211.13239	3.2
219.12270	3.3
220.61082	0.4
221.13844	6.7
221.15813	0.9
223.15334	0.8
235.13304	2.6
237.13297	0.5
239.14752	0.6
247.20569	16.6
255.15950	2.7
261.21945	0.6
265.16470	2.4
273.22119	4.2
279.15924	1.7
283.17456	0.9
285.46423	0.4
289.21542	0.9
289.25131	1.2
291.23187	23.6
299.02411	0.5
299.18549	1.2
309.19037	1.7
317.24661	3.3
327.20181	0.9
333.24213	1.1
335.25784	7.0
343.21152	0.8
353.21655	1.6
397.24231	0.7
441.26801	0.5
667.38770	1.2
764.57666	0.8
793.53113	5.0
810.55719	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	808.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	13.8
57.07082	4.6
57.62383	1.7
61.02940	2.2
65.03931	4.6
67.05508	100.0
69.03436	4.7
69.07071	31.8
69.23766	12.5
69.24168	2.5
71.04992	4.1
71.59987	1.4
75.22811	1.5
77.03898	2.4
79.05498	80.4
81.03441	1.9
81.07057	93.8
83.04990	3.6
83.08621	14.0
85.02909	3.4
85.06571	2.9
91.04904	3.0
91.05489	76.4
93.07050	94.7
95.04980	7.7
95.08611	75.7
97.02883	2.0
97.06525	6.8
97.10186	4.7
98.20739	3.4
99.08096	4.5
103.05450	3.0
105.04533	1.7
105.07037	72.7
107.04993	2.2
107.08604	45.8
109.06561	2.9
109.10159	30.7
111.08118	5.2
114.33128	1.6
115.05458	2.3
117.07030	27.5
119.08586	59.2
121.10155	42.7
123.08142	2.2
123.11749	9.5
125.09647	3.2
128.06252	2.7
129.06993	9.9
130.07768	2.1
131.08572	37.6
133.10136	55.3
133.11107	3.5
135.08160	2.8
135.11700	28.0
137.09630	2.9
137.13322	2.1
139.11211	1.9
141.06912	1.7
143.08554	13.3
145.10136	29.4
147.11703	40.7
149.13289	16.9
155.08549	3.0
157.10156	10.4
159.11700	29.3
161.13257	24.8
163.14864	7.0
169.10156	4.8
171.11708	17.9
173.13284	20.7
175.14836	9.0
181.10091	1.8
183.11694	3.6
185.13283	13.0
187.11122	2.0
187.14879	5.5
189.16370	2.4
195.11678	1.8
197.13251	2.7
197.63777	1.7
199.14839	6.8
211.14836	2.4
213.16499	4.7
224.33815	1.9
229.19632	1.8
231.21114	5.8
232.82910	1.8
239.18047	4.2
241.19550	24.6
243.21045	4.0
247.57257	1.7
257.18951	11.1
259.20581	69.9
261.22092	15.8
263.23746	2.1
275.20303	2.0
277.21634	2.9
285.21896	1.7
288.29315	1.7
292.13254	1.6
294.21677	1.8
297.22327	1.8
315.23187	6.2
317.24704	1.7
331.22647	4.5
333.24249	57.1
334.24597	2.1
335.25812	97.1
336.25986	2.3
337.27310	5.5
489.35901	2.4
519.41919	7.4
537.42908	2.3
593.45758	14.8
611.46777	62.1
612.46918	3.6
719.48206	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	808.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	16.8
57.07082	2.9
57.44202	0.5
59.05006	0.7
61.02922	4.0
65.03938	3.8
67.05508	72.1
68.84289	0.5
69.03419	2.7
69.07070	18.2
71.05009	3.2
71.08620	2.4
71.25103	1.3
73.02919	0.9
74.35532	0.6
77.03941	1.2
79.05498	56.9
80.05860	0.8
81.03407	1.9
81.07059	67.0
83.04974	2.8
83.08153	0.9
83.08622	10.0
85.02919	3.7
85.06532	3.5
91.03952	1.4
91.05485	39.5
93.07047	65.5
94.07391	0.7
95.04986	5.5
95.08610	54.0
97.02893	3.2
97.06536	5.1
97.10173	4.0
99.04479	0.8
99.08087	3.0
101.59340	0.6
103.05489	1.2
105.04517	2.3
105.07034	36.1
107.04939	0.9
107.08600	34.4
107.85921	0.5
109.06532	3.3
109.10163	20.0
111.08078	3.2
113.09698	0.9
115.05426	1.0
117.07015	12.2
119.08589	25.7
121.06518	1.1
121.10149	29.1
123.08082	3.2
123.11699	6.0
125.09638	1.5
127.03936	1.2
129.05499	0.7
129.07024	4.5
130.07744	1.4
131.08578	20.8
133.10141	20.3
135.08096	1.2
135.11697	18.0
137.09590	1.9
137.13232	1.6
139.11159	1.2
141.06978	1.1
143.08557	5.0
145.10126	16.2
147.11697	16.1
149.09636	1.3
149.13269	9.6
151.11200	2.4
155.08560	1.0
156.09366	0.6
157.10118	3.8
159.11687	13.2
161.13257	10.8
163.11220	1.7
163.14813	3.2
165.12772	0.9
169.10106	1.4
171.11653	5.2
173.13263	8.2
175.14824	3.8
177.12794	1.6
177.16371	0.8
179.14331	5.4
181.10129	0.8
181.12297	0.8
183.11734	1.1
185.13292	4.6
187.14838	5.8
189.12904	0.9
189.16391	1.6
195.11801	0.7
197.13351	1.0
199.14847	3.1
201.16391	2.2
203.14236	0.8
205.15843	2.7
211.14761	0.5
213.16463	1.2
215.17986	0.9
217.15950	1.1
219.17560	0.8
221.18961	1.3
231.20952	0.8
233.22731	0.7
239.17996	1.4
241.19516	6.9
243.21040	2.8
257.19012	1.2
259.20590	18.9
261.22113	6.4
269.17215	0.7
275.20169	1.0
277.21652	14.8
293.21146	2.1
295.22739	0.8
297.22339	0.7
299.23560	0.7
303.23184	0.7
309.24255	0.7
315.23248	1.5
317.24896	1.3
333.24271	13.4
335.25818	100.0
336.26123	2.1
337.27393	1.7
351.25317	26.4
421.25754	1.1
529.38794	3.7
553.42590	1.2
571.43677	1.0
593.45526	1.9
611.46710	44.7
612.46283	1.2
737.49652	0.8
808.52789	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.8
57.07078	0.6
58.73792	0.5
65.03940	1.3
67.05507	34.5
67.59644	0.5
69.03443	1.0
69.07066	9.7
71.04980	1.1
71.12426	1.0
74.11176	0.6
78.39571	0.5
79.05495	31.5
81.03437	1.1
81.07059	29.9
83.04988	4.6
83.08622	5.2
85.06538	2.0
86.09689	0.7
88.77954	0.6
91.04902	1.0
91.05486	26.1
93.07046	29.6
95.04967	2.8
95.08612	21.1
97.06518	2.7
97.10165	4.1
99.04454	1.2
99.08091	1.5
103.05448	1.0
105.04484	0.9
105.07034	21.7
107.04958	5.2
107.08596	20.8
107.09312	1.2
109.06511	2.6
109.10165	10.5
111.08094	1.7
115.05437	0.9
116.06242	0.6
117.07017	8.4
119.08589	17.0
121.06511	1.1
121.10152	11.9
123.08086	1.5
123.11722	2.4
125.09641	2.3
128.06262	0.6
129.07005	2.4
131.08574	11.0
133.10143	12.0
135.08089	2.2
135.11685	6.4
137.09653	1.9
143.08549	1.9
144.58908	0.6
145.10147	9.1
147.08011	0.7
147.11696	7.6
149.09625	8.6
149.13298	1.7
153.12833	0.8
157.10143	1.7
159.11710	5.3
161.09631	0.7
161.13252	2.6
163.11263	0.6
163.14879	1.1
166.24261	0.6
169.12210	0.8
171.11725	1.4
173.11989	0.6
173.13167	3.0
175.14798	0.6
177.12729	1.0
179.14363	1.1
183.11751	0.6
184.07324	0.7
185.13252	1.4
187.11340	0.6
187.13335	0.7
187.14789	0.8
189.11205	0.7
191.14314	0.9
197.13348	0.8
201.16454	2.3
203.14320	0.8
209.15433	2.2
209.95534	0.6
219.17448	49.5
227.12817	1.1
229.19513	0.8
239.17982	0.8
257.18997	3.1
261.22266	1.0
275.20059	19.4
283.19196	0.6
293.21161	1.1
306.27347	0.6
317.24661	0.6
332.99625	0.5
335.25793	46.8
336.26352	0.9
349.23740	20.9
381.79831	0.6
543.40601	0.9
609.45148	100.0
610.45453	2.9
627.79834	0.7
815.89398	0.7
836.05573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04974	0.8
57.03336	3.0
57.03642	0.8
57.07012	0.6
61.02826	5.6
65.03856	1.4
67.05401	20.6
67.05802	3.4
69.03326	3.5
69.06963	6.0
69.07377	0.9
69.76070	2.3
69.76479	0.9
70.06532	1.0
71.01287	0.5
71.04918	1.1
73.02805	2.8
77.03855	1.2
78.04636	0.6
79.05380	19.4
79.05894	2.5
81.03304	2.9
81.06939	21.0
81.07471	2.5
82.06501	0.6
83.04854	1.7
83.08502	4.6
83.09064	0.8
85.02784	4.6
85.06435	1.2
91.03828	2.0
91.05360	17.3
91.05988	1.6
93.06917	20.5
93.07555	2.2
94.06495	0.9
95.04852	5.0
95.08479	17.7
95.09147	1.3
96.04354	0.6
96.08015	0.7
97.02760	4.9
97.06399	3.0
97.10053	1.6
98.05929	4.8
99.04388	0.9
99.08012	1.1
103.05337	1.9
105.04421	0.6
105.06900	16.0
107.04830	1.8
107.08463	11.0
107.09232	0.7
108.08010	0.8
109.02773	0.7
109.06387	6.9
109.10017	7.3
110.05914	4.8
111.04350	0.6
111.07943	1.7
115.05347	0.8
117.06879	5.0
119.04855	0.6
119.08437	12.1
120.07961	2.5
121.06508	58.1
121.07718	2.0
121.10142	8.9
122.05888	2.3
123.04285	3.1
123.06701	1.1
123.08063	3.0
123.11600	1.5
124.07453	0.7
125.09480	1.5
126.02253	0.5
127.03760	0.7
128.06053	1.7
129.07022	3.6
130.44914	0.5
131.04778	0.8
131.08575	9.8
132.07986	0.8
133.06502	3.1
133.10132	6.9
134.05917	0.8
135.08047	7.9
135.11700	3.8
136.07573	2.6
137.05864	1.3
137.09460	2.3
141.06856	1.5
143.08542	4.4
144.07968	0.6
145.06485	4.2
145.10115	6.4
146.09535	0.9
147.08046	25.1
147.11687	2.9
148.07422	1.9
149.05826	1.9
149.09473	2.5
149.13103	2.4
151.11063	1.1
155.08414	2.0
157.09967	2.5
157.11122	0.6
159.08054	7.1
159.11537	2.3
161.09627	12.8
163.07385	2.3
163.11095	1.3
167.08473	0.6
169.09953	1.7
171.07884	1.7
171.11551	1.0
173.09610	4.7
173.11687	0.8
173.13097	1.7
175.07510	0.5
175.11043	2.0
175.14673	1.7
177.12575	0.7
183.11540	1.6
185.13243	2.6
187.07445	0.7
187.11032	2.0
187.14650	1.5
193.09917	0.7
193.12129	1.3
194.15434	1.0
195.11620	0.8
197.09499	0.7
197.13112	0.9
201.16254	0.7
202.15753	0.8
203.14130	1.7
211.11172	0.9
211.12999	1.1
211.14764	1.5
213.12653	1.3
218.15311	0.7
219.13690	0.8
219.17313	0.9
220.16803	1.8
221.13200	1.0
229.15999	3.1
230.15239	0.8
231.13643	2.0
239.14124	1.9
246.18407	1.5
247.16965	6.1
248.13983	1.0
248.16457	17.9
257.15359	4.6
261.22128	0.8
264.19403	1.1
266.17416	2.4
267.15891	4.3
274.17929	2.8
275.16418	3.8
285.16870	0.8
292.19055	4.6
293.21051	0.6
322.20322	3.1
323.18304	0.9
335.25873	7.9
340.21060	3.3
348.21570	1.3
349.20090	4.3
361.48343	0.6
366.22794	3.2
367.20798	0.9
384.23807	1.0
546.41583	2.2
559.36627	1.0
583.39801	0.7
600.42548	14.8
626.43921	4.2
627.42682	2.5
644.45197	100.0
645.45496	4.3
762.47906	1.7
788.48846	0.9
806.50500	61.9
807.50983	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	806.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	2.5
57.03440	24.3
59.04995	7.1
61.02928	6.0
65.03937	2.9
67.05509	92.1
69.03438	14.3
69.07074	43.7
69.85229	9.1
70.06590	8.0
71.04999	12.5
72.04557	2.4
73.02917	4.1
75.13168	2.6
79.05499	72.0
81.03422	100.0
81.07062	93.0
81.07536	6.2
83.04996	20.8
83.08619	36.8
85.02911	12.2
85.06564	4.8
86.09708	6.7
91.03956	4.0
91.05484	70.8
93.07050	64.6
95.04966	44.6
95.08610	39.9
97.02908	10.9
97.06525	20.0
97.10176	24.4
99.08128	3.9
103.05447	3.0
105.07037	62.5
107.04973	22.3
107.08602	53.2
109.06542	14.7
109.10165	34.0
111.04491	3.6
111.08099	15.8
113.05927	2.8
114.49852	2.7
115.05446	4.8
117.07004	21.6
119.08593	45.9
121.06507	11.2
121.10149	28.0
123.04424	4.0
123.08070	6.6
123.11724	9.9
125.09628	23.6
127.07591	3.4
129.07011	21.5
131.04919	3.5
131.08586	34.5
133.06494	8.6
133.10135	40.8
135.08054	9.7
135.11732	17.0
137.06001	4.4
137.09647	7.3
141.07021	5.1
142.07773	5.1
143.08563	11.5
145.06490	6.0
145.10127	29.2
147.08083	9.7
147.11696	20.4
149.09627	19.4
149.13268	7.4
151.11227	6.3
153.09090	5.6
155.08553	5.6
157.10149	18.1
159.08078	3.1
159.11740	12.7
161.09639	5.7
161.13284	5.8
163.11230	13.1
165.12779	2.8
167.08519	2.9
169.12177	3.4
171.10361	3.3
171.11743	10.6
173.09595	5.4
173.11787	3.0
173.13290	4.8
175.11229	10.1
177.12794	4.8
183.11731	7.2
184.07344	3.4
189.11206	11.2
189.12822	4.1
191.10710	5.8
193.12274	23.1
195.13718	4.9
197.13342	4.7
199.14848	5.2
201.12750	3.1
209.11679	7.0
223.13336	7.1
227.12740	24.6
229.14328	14.3
245.13879	3.5
249.14949	3.6
253.14322	14.5
255.16031	8.9
257.18979	5.0
267.15921	74.7
269.17474	21.3
273.18521	8.9
275.20087	26.8
283.15378	4.0
291.19547	31.0
297.22131	3.6
299.20013	3.6
301.16675	4.3
317.15927	7.2
349.23825	31.3
365.23145	16.5
421.25897	8.5
443.27878	7.2
447.27505	29.3
449.30606	2.8
461.29004	64.2
477.28671	4.8
493.31570	9.0
501.31940	7.2
511.29401	3.8
519.33191	7.0
523.34387	5.9
541.35260	72.7
559.36322	24.4
591.35669	11.0
756.26733	3.3
806.48181	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	805.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	15.1
62.94807	1.3
63.76871	1.2
65.03930	4.9
67.05505	63.1
69.03406	3.3
69.07071	11.0
69.58747	1.6
70.09371	4.3
71.04986	3.5
73.68993	1.4
79.05495	37.6
81.03416	3.9
81.07055	48.5
81.07533	2.9
83.04967	5.6
83.08598	4.4
85.06538	9.7
91.05481	26.1
93.06484	2.5
93.07049	34.2
95.04970	50.6
95.08612	25.8
97.06519	6.6
97.10171	3.4
99.04446	1.7
99.08117	1.7
105.07027	24.1
107.04956	9.0
107.08609	22.8
109.06526	61.0
109.10165	9.9
111.08086	4.2
113.06007	25.4
115.05506	1.8
117.07018	11.0
118.40804	1.3
119.08596	14.5
121.06492	6.3
121.10163	12.0
123.04434	1.6
123.08056	3.0
123.11698	1.6
124.73003	1.4
125.09591	1.9
128.06198	1.8
129.07013	5.6
131.08580	17.0
133.06473	3.8
133.10126	8.6
135.07011	1.8
135.08049	36.1
135.11691	6.8
137.09613	2.6
138.95741	1.4
142.07780	1.7
143.08566	7.0
145.10141	13.8
147.08052	5.6
147.11668	5.1
149.09628	5.2
149.13257	4.0
157.10117	6.3
159.08044	3.3
159.11708	7.0
161.09602	8.7
163.11140	3.1
165.09023	1.4
169.10072	1.7
171.11655	3.4
173.13287	2.2
177.12775	2.0
183.11633	1.7
184.07271	2.2
185.13185	1.9
187.11163	1.6
189.12840	2.1
195.11607	1.8
199.14795	3.4
201.12750	1.6
217.15953	9.1
227.17957	1.5
255.17433	3.4
261.22122	2.2
273.18512	32.0
291.19550	100.0
292.19888	1.5
317.58008	1.6
335.25812	41.2
347.22110	7.0
365.23288	17.2
567.40283	2.7
607.43622	14.3
625.44629	74.2
626.44519	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	805.33
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.8
56.53274	0.3
61.02919	0.5
67.05497	1.2
68.05031	0.7
69.03451	0.3
69.07080	0.5
70.06597	13.3
71.06941	0.5
71.52092	0.5
72.08149	1.8
73.02890	0.7
74.06094	0.5
79.05502	1.0
80.05051	0.5
81.03416	0.9
81.07056	1.3
82.06581	0.8
82.07368	0.4
83.06136	0.4
84.04504	1.3
84.08150	5.1
85.02905	1.8
86.06079	0.4
86.09715	7.1
87.05634	0.4
87.10042	0.4
88.03971	0.4
91.05479	1.0
92.96644	0.4
93.04514	0.4
93.07048	2.1
94.06567	1.6
95.04951	0.3
95.07365	1.4
96.08154	3.0
97.02896	0.6
97.06524	0.6
98.06104	0.7
98.09703	8.7
99.04482	0.4
102.05567	0.7
105.07043	0.4
108.08127	2.3
109.10175	0.7
110.07178	5.6
110.09693	5.4
110.10426	0.6
114.05547	0.4
115.08707	0.4
120.08100	4.6
121.06505	0.6
121.08358	0.4
121.10178	0.7
122.06045	1.8
124.07569	0.5
126.05441	0.5
127.03912	0.6
129.10258	1.8
136.07582	3.1
136.08575	0.5
138.09134	6.3
140.14343	3.0
141.10258	0.8
145.10156	0.4
145.54668	0.3
146.06171	0.3
147.04440	1.1
148.07596	1.3
151.07629	0.3
157.10127	0.5
157.13399	0.8
158.15417	2.7
159.15814	1.3
163.11166	0.3
166.06541	0.4
166.08658	10.5
166.09950	0.7
169.09839	0.8
172.03960	0.4
192.06541	0.4
204.06532	0.5
209.10806	1.5
216.64900	0.3
221.10725	0.4
223.08720	0.4
233.44594	0.4
235.08754	1.1
236.09502	1.1
237.10222	8.5
237.12440	0.5
238.10770	0.4
239.11827	0.4
249.10295	3.7
250.11156	0.9
251.08206	0.3
251.11884	2.3
251.14848	0.4
252.12715	0.4
253.09676	0.7
255.11256	0.5
261.10294	0.4
263.08249	0.8
264.08948	4.9
265.09763	3.2
266.10550	0.5
267.11282	2.1
267.16110	0.4
269.09171	0.4
269.12772	0.5
277.09723	5.6
278.07498	0.4
278.10287	1.5
279.08200	0.5
279.11295	6.5
280.11938	0.7
281.09241	2.0
281.12460	0.6
283.10892	0.7
287.05627	1.6
291.07681	1.0
292.08398	0.8
293.09253	29.1
293.12784	2.5
294.09744	0.6
295.10861	1.7
297.12247	0.4
305.09241	4.8
307.10791	5.9
307.14203	0.5
309.08783	1.2
309.12357	1.3
311.10458	0.9
311.14157	1.0
312.11163	0.6
313.11838	1.2
321.12399	0.4
322.13144	0.6
323.10324	3.6
324.11057	0.8
325.12006	2.2
327.13406	0.8
333.08655	3.8
337.11884	1.4
338.12891	0.5
339.13461	3.6
342.16006	0.5
351.09769	16.3
353.11356	1.1
353.15164	0.7
354.11819	0.4
355.13031	1.2
356.13821	0.6
357.14734	0.6
365.11432	1.7
366.12048	4.7
370.11554	0.5
371.12292	3.6
383.12482	6.2
383.17310	0.3
385.14008	2.2
386.14868	0.6
398.14914	2.9
399.15134	0.4
403.70724	1.1
404.21240	0.4
417.23694	0.4
418.17804	0.6
428.16348	0.5
446.17130	12.7
476.18176	0.5
478.19791	10.3
486.16760	1.0
504.17569	0.9
519.20013	1.1
520.20490	0.5
536.20398	2.1
550.21582	0.5
551.22656	100.0
552.23071	4.1
616.22766	2.2
626.23816	0.4
648.25781	6.0
657.25586	1.3
658.26471	0.6
687.79425	0.4
787.39307	0.6
805.28754	0.5
805.41589	4.0
806.40045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	3.8
57.03445	5.6
57.07073	1.3
61.02933	6.7
65.03936	3.8
66.98616	0.7
67.05508	55.8
69.03437	6.7
69.07079	13.0
69.24889	4.7
69.25304	2.4
70.60825	0.9
71.04992	1.6
73.02902	4.4
77.03904	1.9
79.05497	38.9
81.03409	3.6
81.07060	40.3
82.06583	2.8
83.04978	3.5
83.08629	8.8
85.02913	6.5
85.06545	1.5
91.03946	2.5
91.05487	37.4
93.07048	60.9
94.02933	4.5
94.06555	3.8
95.04970	7.1
95.08612	74.7
96.04498	11.1
96.08123	2.3
97.02901	6.1
97.05291	1.8
97.06549	2.5
97.10175	10.7
98.06065	1.8
103.05487	2.5
105.04500	2.4
105.07036	23.9
106.06535	2.4
107.04952	2.9
107.08598	16.8
108.04452	0.8
108.08103	2.1
109.06517	2.8
109.10160	10.9
110.06051	27.2
110.09685	6.0
111.08096	1.7
112.03928	1.0
115.05458	3.6
116.06261	1.4
117.05751	1.8
117.07021	13.7
118.06538	1.8
119.04955	1.6
119.08603	8.9
120.08115	9.2
121.06512	21.5
121.10152	9.3
122.06023	16.9
123.04414	3.1
123.06845	1.4
123.08049	1.7
123.11716	2.9
124.03958	1.8
124.07610	0.8
125.09641	8.7
128.06235	4.1
129.07025	12.0
130.07748	1.1
131.07385	1.6
131.08571	18.0
132.08104	3.4
133.06477	7.2
133.10149	6.7
134.06023	4.6
135.08051	3.8
135.11700	5.6
136.07581	8.3
137.09605	1.2
138.09145	38.4
141.06975	1.7
142.07806	1.3
143.08557	10.6
145.06487	8.4
145.10130	8.3
146.06006	9.3
146.09647	2.0
147.04410	1.1
147.06775	4.2
147.08054	4.4
147.11679	2.3
148.07579	13.8
149.05984	2.3
149.09628	2.2
149.13237	1.3
150.05516	2.1
150.09192	1.4
153.06952	1.3
155.08548	3.7
157.06512	13.8
157.10146	5.6
159.06902	1.1
159.08072	9.1
159.11693	2.2
160.07590	9.2
161.05978	3.5
161.08348	2.0
161.09628	2.2
162.09149	3.2
163.07530	2.2
163.11176	4.2
163.14836	1.3
165.06972	1.3
167.08553	3.3
168.09311	0.9
169.10143	2.0
171.08051	9.8
171.11679	2.5
172.07512	1.4
173.05980	2.5
173.09601	1.9
173.13277	2.3
174.09195	5.3
175.07544	6.2
175.09846	1.3
175.11195	2.9
176.07069	1.4
176.10658	1.5
181.10123	2.5
183.11707	1.2
184.07437	2.0
185.09679	3.4
185.13309	1.2
186.09120	1.5
189.08989	0.9
189.11319	3.8
195.07991	1.7
197.09720	1.1
199.07571	1.9
199.11188	2.2
199.14822	3.6
209.13324	4.7
213.12668	1.2
216.17494	1.1
217.15919	1.1
219.11641	2.5
222.10364	1.1
226.15950	2.2
227.10686	1.0
227.12479	1.5
227.14597	5.5
237.12769	5.1
244.16978	6.5
245.15413	2.6
249.04605	1.0
254.15501	6.7
255.13817	9.0
261.22223	2.0
262.17941	1.2
272.16467	73.7
273.14728	5.3
274.18066	1.6
290.17508	15.1
308.18448	1.0
310.18033	1.5
328.19156	8.5
335.25818	59.3
336.26224	0.9
346.20145	63.4
347.20551	1.1
355.22049	0.9
364.21210	8.2
382.22327	2.9
416.20477	1.0
500.10345	0.9
550.39166	2.0
606.41541	42.1
607.40222	3.8
624.42621	100.0
625.42493	3.0
642.43658	62.1
643.43933	2.2
804.37811	0.9
804.49005	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	804.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	3.1
57.03439	6.7
57.07058	1.9
61.02927	7.3
65.03949	4.2
67.05506	54.9
68.99815	0.7
69.03431	7.8
69.06730	0.9
69.07072	12.1
70.06582	0.9
71.04984	2.6
73.02914	3.2
74.06082	1.1
77.03932	1.7
79.05494	38.0
80.05020	1.3
81.03428	3.6
81.07059	39.6
82.06566	2.9
83.04974	2.9
83.08620	9.0
85.02908	7.3
85.03388	1.1
85.06544	1.5
87.04465	0.7
91.03947	3.6
91.05482	33.4
93.07047	54.1
94.02923	3.5
94.06552	3.3
95.04976	7.8
95.08610	66.2
96.04491	5.7
96.08137	1.9
97.02900	5.0
97.05303	1.9
97.06533	2.8
97.10172	11.9
98.06050	1.3
101.02430	0.9
101.88354	0.8
103.05470	2.5
105.04503	2.1
105.07034	21.3
106.06576	0.9
106.90858	0.7
107.04947	2.4
107.08597	17.0
108.08125	2.1
109.02876	1.2
109.06544	2.3
109.10162	10.9
110.06041	22.1
110.09701	5.0
111.04441	0.7
111.08068	1.2
112.10596	0.7
115.05469	4.0
116.06238	1.3
117.05747	0.9
117.07007	13.9
118.06512	2.2
119.04951	1.9
119.08589	10.2
119.39893	0.8
120.08090	7.6
121.06506	16.6
121.10139	10.5
122.06042	15.1
123.04435	2.2
123.06799	0.9
123.08054	1.8
123.11717	2.5
124.03969	1.6
124.07571	1.0
125.09643	7.9
127.03854	1.1
128.06241	4.3
129.06999	9.3
130.06548	0.9
130.07814	0.8
131.07390	1.5
131.08556	15.9
132.08084	2.4
133.06488	7.2
133.10165	6.3
134.06018	4.8
134.09616	1.3
135.08086	3.8
135.11673	6.2
136.07587	5.9
138.09145	36.9
141.07039	2.0
142.07764	1.4
143.08566	8.9
144.08090	1.1
145.06471	6.9
145.10097	7.6
146.06006	9.5
146.09634	1.2
147.06778	3.8
147.08070	4.4
147.11693	3.6
148.07573	12.3
149.05978	2.6
149.09599	1.3
149.13290	2.5
150.05455	1.2
150.09152	1.4
153.07086	0.9
153.09128	0.8
153.12723	0.9
155.08537	4.3
157.06506	12.9
157.10103	4.7
158.09769	1.5
159.06848	1.5
159.08041	8.2
159.11665	3.3
160.07602	7.2
161.06001	3.0
161.08333	1.8
161.09607	1.7
161.13315	0.8
162.05473	0.9
162.09175	3.7
163.11220	2.8
163.14696	0.9
164.07063	1.4
165.06969	1.0
167.08531	2.6
169.10126	1.8
170.09618	1.5
171.08057	8.7
171.10295	1.3
171.11725	2.5
172.07579	1.7
173.06042	1.6
173.13289	1.7
174.09137	4.9
175.07562	4.7
175.11212	2.8
175.14903	1.0
176.07109	2.1
176.10741	0.9
177.08981	0.7
178.08684	1.1
179.08559	1.4
181.10129	2.4
183.11703	1.7
184.11310	1.0
185.09680	2.5
185.13283	1.6
187.07608	1.0
188.10716	1.1
189.11253	2.5
193.10245	1.3
193.12079	0.8
195.08087	1.5
195.12041	0.9
199.07556	2.1
199.11224	1.7
199.14833	3.7
200.11002	0.8
201.16385	0.9
203.14314	0.7
209.13257	4.7
211.11311	0.8
217.15845	0.9
219.11688	2.6
226.15910	1.7
227.12523	1.5
227.14575	3.5
229.15782	1.0
236.14320	0.9
237.12770	4.5
243.21201	0.7
244.16963	5.8
245.15408	3.0
254.15469	4.7
255.13785	7.6
261.22162	2.6
272.16458	48.7
273.14676	4.9
274.18115	2.5
290.17493	10.5
303.82632	0.7
310.18149	0.9
328.19073	9.4
335.25815	73.6
336.26279	1.2
339.53827	0.7
346.20111	38.9
347.20602	1.0
348.21924	0.9
349.14014	0.7
364.21204	9.0
382.22397	1.7
391.95029	0.8
550.38965	1.4
579.41180	0.8
606.41534	47.1
607.40747	4.1
624.42603	100.0
625.42566	3.9
642.43677	56.9
643.43463	1.5
786.47913	1.8
804.49335	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	804.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	8.4
61.02951	1.4
65.03934	1.0
67.05508	25.0
67.20979	0.8
69.03430	8.2
69.07071	18.7
71.04983	2.7
71.52201	1.0
74.06023	0.7
79.05500	24.6
81.03423	50.5
81.06593	1.2
81.07062	23.1
83.04985	5.0
83.08624	15.1
85.02885	1.9
85.06534	2.0
91.05489	22.0
93.07043	18.4
95.04375	1.4
95.04974	19.4
95.08622	10.7
97.02896	9.6
97.06532	3.4
97.10168	9.8
99.04494	0.7
105.07034	18.2
107.04951	9.1
107.08608	14.5
109.02866	1.2
109.06506	4.4
109.10155	9.9
111.04441	3.1
111.08102	4.7
115.05482	1.5
116.07086	1.0
117.07029	7.1
119.04966	1.8
119.08591	15.5
121.06504	5.4
121.10148	8.7
123.04452	1.0
123.08096	4.2
123.11704	1.9
125.09641	7.9
128.06195	1.6
128.07079	1.1
129.07007	8.0
131.08588	10.5
133.06516	3.7
133.10130	11.5
134.07185	0.7
135.08054	3.4
135.11699	2.2
137.09607	3.5
142.07793	1.9
143.08542	2.8
145.06447	2.1
145.10121	7.1
147.08093	5.0
147.11670	6.0
149.09642	5.9
149.13239	1.9
151.11160	2.6
153.09105	1.9
155.08539	1.2
157.10168	6.5
159.08029	1.4
159.11668	2.8
161.09601	3.4
161.13168	0.8
163.11172	2.5
165.09126	1.3
165.12741	1.5
169.10117	0.9
171.11736	1.2
173.09505	0.9
173.13228	0.9
175.11180	5.8
177.12807	1.3
179.10724	0.8
185.13251	0.8
189.11201	3.6
189.12715	1.0
193.12265	12.7
197.13295	0.9
205.12262	2.2
211.13353	1.3
219.13814	2.7
223.13304	12.2
227.12761	8.4
245.18932	0.8
249.14864	2.8
253.14444	3.7
267.15924	69.2
269.17282	0.8
273.18436	9.4
283.15408	1.2
285.17297	1.2
291.19550	63.3
292.20023	0.8
313.21619	2.1
322.73471	0.8
347.22250	1.5
365.23248	42.8
421.26016	0.8
437.25629	1.3
445.25894	4.6
459.27487	5.9
463.27118	2.0
465.30048	1.4
477.28589	4.3
483.30554	1.7
539.33600	8.7
557.34766	100.0
558.34955	3.9
575.35468	3.0
589.36945	0.9
607.35004	1.2
642.43225	1.7
683.38086	1.0
804.48724	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	804.438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05063	0.8
56.88715	0.7
57.03429	2.4
60.16809	0.7
61.02934	5.9
65.03929	0.9
67.05183	1.4
67.05510	18.5
69.03449	1.4
69.07059	6.3
70.06594	3.0
70.69273	2.4
71.04980	1.8
72.08173	1.2
73.02926	2.3
79.05498	15.9
81.03403	2.0
81.07062	20.4
83.04984	2.3
83.08624	3.3
84.08146	1.5
85.02913	7.3
85.06573	1.2
85.90982	0.9
86.09698	1.3
91.03957	3.8
91.04910	1.0
91.05488	20.3
93.07053	17.8
95.04987	3.5
95.08622	13.6
97.02886	4.4
97.06535	2.8
97.10167	1.4
103.05507	1.0
105.04486	0.8
105.07042	21.5
107.04963	2.5
107.08611	10.0
109.06527	3.0
109.10177	5.7
111.08105	2.2
115.05457	1.5
117.07029	9.2
119.08591	14.3
121.06517	4.2
121.10155	4.8
123.08083	2.3
129.07027	5.9
131.08585	17.9
133.06499	2.4
133.10135	10.5
135.08032	2.1
135.11682	2.4
141.07025	2.2
142.07776	1.0
143.08546	8.0
145.05043	1.0
145.06488	1.6
145.10123	10.9
147.08046	1.5
147.11696	2.8
149.09642	1.3
149.13249	1.2
151.11182	1.7
155.08543	4.6
157.10141	7.4
159.11659	6.2
161.13274	1.5
167.08556	1.6
169.10149	3.3
171.08067	0.8
171.11700	4.6
173.09644	0.9
173.13292	3.0
175.11270	1.0
181.10162	2.1
183.11742	3.1
185.13341	2.5
187.11125	1.1
187.14859	1.4
195.11804	1.7
197.13290	2.9
199.11211	1.3
199.14861	1.5
201.12622	1.1
201.16403	0.9
209.13373	1.5
211.14810	1.9
213.12592	1.2
223.14882	1.3
225.16310	1.4
247.16960	2.0
259.17004	1.0
261.18637	1.3
275.20264	0.9
289.17780	0.8
291.19678	1.0
325.25229	2.1
335.23886	1.2
343.26266	2.0
353.24774	6.6
371.25830	5.9
389.27042	5.1
427.28452	1.7
445.29520	100.0
446.29858	2.0
463.30582	36.9
464.30722	1.4
557.34229	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	10.1
57.07056	2.6
57.78247	1.6
61.02915	2.8
64.68882	1.5
65.03944	2.0
67.05509	43.2
67.78978	1.5
69.03426	4.8
69.07072	10.3
69.34916	4.1
69.35313	11.9
70.06594	3.7
71.04981	3.3
72.42513	1.5
79.05074	2.3
79.05500	31.4
81.03422	51.9
81.07062	37.6
83.04990	3.6
83.08627	17.8
85.02898	3.0
85.06520	2.6
91.05491	22.7
93.06491	2.7
93.07044	32.9
95.04971	18.5
95.08605	29.5
97.02917	2.7
97.06548	4.0
97.10157	7.1
105.07037	16.5
107.04951	5.0
107.08603	16.2
109.06509	3.2
109.10158	15.2
111.08105	3.3
115.09354	1.8
117.07010	4.4
119.08604	15.3
121.06509	3.0
121.10162	14.3
123.11703	5.5
125.09669	2.5
129.07007	5.1
131.08553	13.2
133.06497	3.3
133.10133	15.3
135.11693	9.9
136.07581	1.8
137.09621	2.5
137.13280	1.9
143.08513	3.0
145.10095	5.7
146.06090	1.9
147.08073	2.3
147.11635	10.6
149.09644	3.9
149.13266	5.3
157.10118	6.9
159.11702	6.1
161.13240	4.3
163.14880	2.8
171.11743	1.8
173.13284	5.6
175.11194	6.3
177.16316	2.1
187.14835	3.5
189.11272	3.7
193.12259	17.4
227.12822	5.0
243.20967	4.3
261.22137	20.4
267.15918	100.0
301.25244	3.7
317.24796	3.4
319.07019	1.9
335.25806	88.8
336.26227	2.2
347.42386	2.0
421.25995	2.4
435.32684	3.3
453.33551	5.5
471.34686	3.8
527.37323	59.3
545.30597	3.2
545.38446	46.9
559.40186	3.3
622.41534	2.1
770.50287	6.0
802.49225	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	799.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.9
61.02929	7.0
67.05505	6.0
69.03430	3.8
69.07074	2.1
71.01361	0.3
71.05017	0.5
71.12155	0.3
71.12506	0.5
73.02927	4.8
79.05490	3.0
81.03425	1.5
81.07058	6.3
83.04996	0.5
83.08623	1.0
85.02904	5.8
87.04423	0.4
90.14204	0.3
91.03963	3.7
91.05479	1.9
93.07048	2.9
95.04983	0.5
95.08617	4.9
97.02892	5.5
97.06544	0.3
97.10177	0.4
99.04469	0.7
101.02390	2.5
103.03925	0.6
105.07063	1.3
107.08602	1.7
109.02906	0.9
109.10177	1.4
115.03953	0.5
117.07043	0.4
119.08582	1.0
121.10129	1.4
123.11721	0.9
127.03922	1.9
131.08595	0.3
133.10176	0.9
135.11726	0.9
137.13269	0.4
145.10150	0.7
147.11716	0.8
161.13306	0.5
175.14897	0.4
183.03186	0.2
185.04247	0.9
191.24876	0.2
203.05321	0.4
243.08492	1.8
299.44193	0.3
335.25824	0.4
519.29315	5.0
520.30206	0.3
521.30988	5.9
588.36957	0.3
615.13702	0.3
715.02795	0.3
799.53302	100.0
800.53632	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	799.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.7
61.02928	0.9
67.05483	0.2
68.99780	0.6
69.03428	5.7
70.06583	1.8
71.04960	0.6
72.08136	0.4
73.02914	1.1
80.47926	0.2
81.03419	6.8
84.04491	0.3
84.08141	1.0
85.02903	7.4
86.09679	0.7
87.00824	3.0
87.04408	0.2
91.03944	0.2
95.01301	0.2
96.25687	0.2
97.02888	3.5
98.09666	0.8
99.04456	1.8
105.01862	1.3
109.02876	5.6
110.07135	0.2
117.01825	0.8
127.03918	6.9
129.01813	0.4
129.10222	0.7
134.03621	0.3
135.04408	0.2
135.42773	0.2
136.07608	0.2
137.05986	0.4
140.14360	0.4
145.04936	2.0
147.02885	0.4
147.04428	0.6
151.03908	0.7
159.02885	2.5
159.09299	0.2
161.34708	0.2
164.04599	0.2
168.00514	0.4
169.01328	0.5
169.05009	0.2
180.69073	0.2
183.02933	0.5
187.06010	2.3
205.06985	0.3
213.03886	0.3
231.05016	0.7
231.09164	0.2
233.04507	0.2
244.03635	0.5
245.04434	0.4
261.03922	0.9
272.03198	1.4
273.03879	1.2
286.04709	0.4
287.05521	2.0
289.03403	2.6
300.02606	1.9
301.03418	6.6
303.04898	0.5
314.04254	0.3
315.04990	2.0
316.05722	0.8
317.02826	1.4
331.04514	0.7
332.05249	24.1
333.05673	0.5
347.07593	100.0
348.07980	1.4
389.08582	0.6
551.13928	5.7
600.32892	0.2
637.14673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
57.07076	0.3
58.99274	0.2
61.02933	6.6
65.03951	0.5
67.05510	6.2
67.05875	0.2
69.03439	3.9
69.07066	1.2
69.68701	0.2
71.01361	0.6
71.05008	0.6
71.16110	0.4
73.02924	4.6
79.05499	4.0
81.03423	1.6
81.07060	6.1
83.01375	0.3
83.08634	0.7
85.02911	5.3
87.04477	0.6
91.03967	3.6
91.05482	2.1
91.37907	0.2
93.07053	4.4
95.04965	0.5
95.08612	4.2
97.02895	5.5
97.06547	0.4
99.04478	0.9
101.02396	2.8
103.04000	0.7
105.04522	0.3
105.07066	1.1
105.46603	0.2
107.08595	2.2
109.02907	1.0
109.10161	1.6
115.03966	0.6
117.07045	0.5
119.08626	1.0
121.10146	2.0
123.11742	0.5
124.99987	0.2
127.03912	2.0
131.08604	1.2
133.10194	0.7
135.11723	1.2
145.04971	0.4
145.10172	0.7
147.11748	0.7
149.13306	0.5
159.11800	0.6
173.13206	0.3
175.14861	0.3
184.07381	0.2
185.04272	0.9
200.85443	0.2
203.05411	0.3
243.08450	1.8
259.08121	0.3
335.25943	0.6
519.29346	11.1
520.29901	0.5
568.49805	0.2
720.14227	0.2
797.51782	100.0
798.52203	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	794.5772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	17.5
57.07077	7.7
58.07557	0.7
61.02919	3.1
65.03928	3.2
65.60881	0.8
67.05506	93.3
69.03425	1.3
69.07070	37.5
70.68694	2.5
71.04980	3.1
71.08621	2.8
73.02891	0.8
79.05493	42.7
81.07057	99.3
83.04988	2.3
83.06586	0.8
83.08621	16.6
85.02911	4.6
85.06532	2.5
85.10173	0.8
87.04465	1.6
91.03971	1.9
91.04900	1.4
91.05479	27.9
93.07043	51.7
95.04960	3.3
95.08608	74.9
97.02885	2.9
97.06543	4.2
97.07090	0.8
97.10177	10.0
99.08095	2.8
105.04482	1.2
105.07032	20.8
107.07879	1.6
107.08598	31.0
109.06511	1.5
109.10162	33.8
111.08052	2.7
111.11719	2.2
113.09630	1.2
117.07017	4.9
119.08591	18.6
121.10143	27.5
123.08052	1.3
123.11722	13.1
123.92677	0.8
125.09630	2.2
129.07051	1.5
131.08575	11.3
133.10126	19.1
135.11693	18.6
137.09634	1.8
137.13335	4.2
139.11151	0.9
140.42664	0.8
143.08434	1.2
145.10121	9.6
147.11693	12.0
149.13260	10.1
151.11229	1.2
151.14789	1.9
157.10144	1.5
159.11679	7.6
161.13258	8.2
163.11205	0.8
163.14804	8.0
169.10135	0.9
171.11705	1.3
173.13286	5.8
175.14816	5.1
177.12744	1.1
177.16370	2.0
185.13287	2.1
187.14810	3.6
189.16356	1.3
191.17801	1.2
193.19556	1.0
199.14775	0.8
199.84511	0.9
205.19495	1.1
219.21111	1.3
233.22612	1.2
241.19647	1.3
243.21088	6.3
245.22658	2.4
247.24274	1.2
259.20566	4.4
261.22144	22.2
263.23630	4.3
298.42847	0.9
317.24799	4.2
333.24213	3.9
335.25806	80.3
336.26196	1.8
337.27371	100.0
338.27747	1.7
339.28888	5.4
363.28552	1.0
383.32947	0.9
491.37756	0.9
500.59341	0.8
523.45117	4.0
541.45746	2.3
576.71674	0.8
597.48761	37.0
598.48999	0.9
615.49872	33.5
616.49384	0.9
682.54999	1.0
737.85419	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.7
57.03426	0.9
58.06584	0.2
61.02922	0.3
65.03938	2.1
67.05505	9.1
68.05018	0.6
69.03427	2.6
69.07050	1.1
69.83898	0.4
69.84306	0.8
70.06593	13.4
71.05000	1.3
72.08159	1.5
73.02914	0.4
74.06054	0.3
79.05492	1.4
81.03418	5.8
81.07059	4.0
82.06593	0.2
83.04980	3.7
84.04491	1.0
84.07700	0.3
84.08149	3.8
85.02914	3.4
85.06543	0.4
86.06065	0.3
86.09701	2.8
91.03941	0.4
91.05482	15.3
93.07056	1.4
95.04977	1.4
95.08608	3.0
96.08117	1.2
97.02896	2.5
98.09694	67.3
99.04445	1.3
99.08123	0.3
99.10023	0.5
99.82147	0.2
103.05460	0.4
105.07025	0.6
107.04951	0.7
107.08594	1.1
109.02886	3.6
109.06522	0.6
109.10161	16.3
110.07173	0.8
111.04448	1.3
111.10455	0.6
112.11246	0.6
114.05527	0.2
117.07002	0.4
117.60793	0.2
119.04945	29.0
119.08575	0.9
120.08113	1.2
121.06500	0.5
121.10178	0.5
123.11733	0.3
125.05999	0.4
127.03932	2.1
129.05461	0.8
129.10219	1.4
131.04927	0.3
133.05003	0.2
133.10083	0.3
134.06033	0.3
136.06206	0.3
136.07574	0.5
137.09619	36.0
138.09962	0.4
138.12831	0.3
140.13240	0.6
140.14345	23.9
147.04411	100.0
148.04749	0.7
149.13219	0.2
155.10651	1.5
158.15407	36.4
159.15714	0.5
163.11166	0.2
165.09117	19.3
176.84273	0.3
183.10193	0.9
183.14990	0.3
201.05527	0.3
201.11264	0.8
246.22873	0.3
275.09070	1.1
287.05487	1.2
288.05872	0.7
304.19080	13.6
305.19504	0.3
309.13425	0.7
327.14185	1.3
417.87479	0.3
450.24988	1.1
558.81024	0.3
794.39563	72.3
795.39807	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	794.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.4
57.03422	0.5
58.06586	0.3
61.02916	0.4
65.03943	2.2
67.05509	9.4
68.05037	0.5
69.03429	2.4
69.07069	0.9
70.02681	0.8
70.06599	12.4
70.61027	0.2
70.89035	0.2
71.05009	1.4
72.08154	1.4
73.02913	0.4
74.06058	0.3
74.95582	0.2
79.05505	1.5
81.02988	0.4
81.03426	5.6
81.07066	4.2
82.06586	0.5
83.04985	4.7
83.07368	0.3
83.08636	0.3
83.28108	0.2
84.04509	0.8
84.08152	3.6
85.02916	2.9
85.06544	0.4
86.09710	2.3
91.03955	0.4
91.05489	13.7
93.07063	1.7
94.29677	0.2
95.04978	1.7
95.08617	3.3
96.08150	1.3
97.02901	2.3
97.06561	0.3
98.06060	0.4
98.09702	69.7
99.04464	1.0
99.08054	0.3
99.10036	0.4
100.11227	0.3
103.05447	0.3
105.07055	0.5
107.04961	0.9
107.08604	0.9
109.02889	3.9
109.06506	0.6
109.10168	16.1
110.07166	0.6
111.04427	1.1
111.10480	0.6
112.11262	0.7
119.04955	26.7
119.08598	1.4
120.05265	0.5
120.08131	1.0
121.06519	0.4
121.10194	0.7
125.05994	0.4
127.03952	2.0
127.04764	0.3
129.05476	0.9
129.06976	0.2
129.10239	1.1
133.06557	0.2
136.07628	0.6
137.09630	35.7
138.10045	0.3
138.12791	0.5
140.14355	27.3
141.14702	0.4
145.04988	0.3
147.04424	100.0
148.04800	1.2
148.05791	0.3
155.10681	1.8
158.15422	38.4
159.08061	0.4
159.15764	0.3
160.23489	0.2
163.11223	0.3
165.09129	18.3
166.09599	0.4
171.11670	0.4
173.06125	0.2
173.13300	0.3
183.10225	0.7
191.20671	0.2
201.05544	0.6
201.11244	0.9
207.09055	0.2
229.63451	0.2
234.98628	0.2
238.17850	0.2
244.78830	0.2
275.09149	1.7
287.05463	1.4
288.05942	0.8
304.19098	13.5
309.13425	1.0
327.14380	2.0
450.24985	1.2
480.18927	0.2
561.28424	0.3
570.69366	0.3
794.39618	77.3
795.39941	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	793.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
55.05518	0.3
56.05032	0.1
57.03438	0.3
61.02930	0.3
61.24449	0.1
62.20361	0.1
65.03948	0.2
67.05515	2.4
68.99789	0.5
69.03437	1.6
69.07079	0.2
69.15749	0.6
69.16151	0.1
70.06595	0.8
71.04994	0.2
72.08161	0.3
73.02916	0.1
79.05503	0.4
81.03429	2.4
81.07064	1.1
84.04520	0.2
84.08166	0.7
85.02914	2.4
86.06126	0.1
86.09711	0.5
87.04448	0.1
91.03962	0.1
91.05493	0.4
93.07066	0.6
95.04980	0.5
95.08611	0.9
97.02914	1.4
98.09708	0.2
99.04451	0.5
102.05543	0.1
105.03423	0.3
107.04974	0.3
107.08601	0.3
108.36471	0.1
109.02886	1.8
109.06532	0.2
109.10172	5.7
110.07171	0.2
111.00804	0.5
111.04471	0.1
117.06987	0.1
117.78381	0.1
119.08600	0.4
120.08115	0.2
121.02882	4.4
121.06540	0.1
121.10157	0.1
125.06013	0.2
127.03931	2.2
129.06949	0.1
129.10266	0.3
133.02864	0.6
135.04343	0.1
135.08083	0.1
137.02359	0.8
137.09631	12.6
138.10025	0.2
140.14351	0.2
145.04987	0.4
145.06529	0.2
147.04395	0.7
147.08084	0.1
153.00604	0.2
153.01842	2.7
155.10666	0.8
157.06514	0.2
157.09879	0.1
161.06013	0.1
165.01854	1.3
165.09132	10.9
171.02989	0.1
171.04449	0.2
175.03899	0.1
183.02913	0.4
183.10175	1.2
185.06026	0.3
189.05492	0.2
197.06044	0.1
201.05531	0.2
201.11205	1.5
203.07050	0.2
213.05489	1.1
217.05031	0.1
218.05878	0.1
219.06508	0.1
225.11481	0.1
229.05098	0.1
231.06526	0.6
241.04950	1.0
245.04506	0.3
258.05301	0.8
259.06042	0.3
263.05557	0.1
269.04514	0.1
287.05524	100.0
288.05835	1.5
291.12338	0.2
295.97678	0.1
309.13382	1.4
311.05472	0.1
327.14413	3.2
329.06570	1.0
333.54999	0.1
333.58850	0.1
345.15414	0.1
353.06305	0.1
395.07578	0.3
449.10706	0.4
534.15314	0.1
613.18732	0.2
629.84583	0.1
631.20300	0.4
745.82715	0.1
773.20123	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	792.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
55.05281	1.0
55.05514	14.4
57.03439	9.6
57.07062	2.3
61.02910	2.3
61.03186	0.5
65.03947	3.0
67.05505	53.4
69.03422	1.7
69.07069	12.7
71.04990	1.4
71.38610	1.0
77.03896	0.6
78.04724	0.5
79.05495	30.4
81.03439	0.7
81.07060	51.7
83.04989	1.4
83.08615	5.6
85.02898	1.2
85.06526	1.2
91.03946	0.7
91.05485	20.0
93.07047	36.8
95.04967	2.4
95.08609	44.4
97.02876	1.5
97.06529	2.5
97.10193	3.2
99.08096	1.3
105.04514	1.2
105.07034	16.1
107.08598	21.3
109.06519	0.9
109.10162	21.6
111.03434	0.7
111.08087	1.4
111.11703	0.7
113.09615	1.0
117.07027	6.1
119.07813	0.9
119.08588	13.9
121.10145	20.7
123.08038	1.0
123.11703	7.2
124.50183	0.5
125.09623	1.0
129.06992	1.5
131.08575	9.7
133.09143	0.7
133.10135	13.8
134.93806	0.6
135.11693	13.0
137.09607	1.0
137.13254	2.4
143.08568	1.3
145.09065	0.8
145.10129	7.9
147.11687	8.2
149.09608	1.0
149.12184	0.9
149.13257	8.1
151.11234	0.9
151.14809	0.8
153.12756	0.6
157.10123	1.6
159.11687	7.7
161.13272	8.1
163.14828	5.0
171.11688	1.8
173.13280	6.4
175.14870	3.3
177.16365	1.3
185.13290	1.6
186.13794	0.6
187.14819	3.5
199.14845	1.3
201.16379	1.5
215.17912	1.2
217.19598	0.7
224.27261	0.6
231.21101	0.7
241.19646	3.7
243.21037	5.6
245.22641	0.8
259.20605	7.6
261.22144	17.6
263.23721	2.1
273.22208	0.7
277.21518	1.1
279.23181	0.9
294.09882	0.6
299.23758	1.0
315.23264	0.9
317.24905	3.2
323.25922	0.7
333.24213	7.1
335.25803	100.0
336.26166	1.4
337.27390	10.7
353.26846	1.1
413.33636	0.6
497.31039	0.6
521.43536	2.0
539.44556	0.8
543.40460	0.8
595.47229	16.2
613.48297	14.8
650.61121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
56.05038	2.4
57.03418	0.3
66.98598	0.2
67.05505	0.6
68.05032	0.9
69.03442	0.4
69.24984	1.8
70.06593	100.0
71.05003	0.3
71.06923	0.5
72.07756	0.4
72.08158	8.8
74.06079	3.1
75.05607	0.3
79.78883	0.2
82.45608	0.3
83.06103	1.6
84.04507	27.5
84.08146	3.6
85.02914	0.9
86.06074	0.7
86.09729	0.5
91.05489	0.3
96.08121	0.4
97.02917	0.4
98.06087	1.1
98.09695	9.7
98.21554	0.3
99.09293	0.3
99.10035	0.3
100.07643	0.2
101.07145	27.7
107.06078	0.5
110.07204	0.8
110.09693	0.4
113.07160	0.5
114.05530	0.3
115.08694	8.7
116.07095	9.8
119.04975	0.6
121.06525	0.3
124.11253	0.4
125.07126	0.4
126.05540	0.5
126.09167	0.6
126.12838	0.8
127.08683	4.6
127.09565	0.3
128.10759	0.8
129.06599	1.1
129.10248	6.9
130.05043	0.4
133.05009	0.3
136.07631	0.9
137.07120	1.4
138.09169	0.2
139.08688	0.7
140.07112	0.2
140.14340	3.9
140.15331	0.3
147.04428	3.4
147.05542	0.3
153.10228	1.7
155.08156	12.7
155.11803	0.6
157.06090	0.3
158.15453	0.8
163.08682	1.2
165.10310	0.4
167.08290	0.3
171.11302	5.4
171.12709	0.3
172.10867	0.9
179.10555	0.4
180.11349	2.2
181.09732	4.4
181.11148	0.3
181.13336	1.6
189.47606	0.2
190.09846	0.6
191.08192	0.5
194.03616	0.2
195.07881	0.3
197.13031	0.2
198.12350	2.3
199.10797	2.4
206.09335	0.4
207.10225	0.3
208.10812	3.1
209.09221	5.2
209.12755	1.1
212.10349	0.3
213.12344	25.7
214.12819	0.3
216.13571	0.5
220.10831	3.7
225.14053	0.3
225.16138	0.9
226.11879	10.6
226.15332	2.6
236.10381	0.5
237.13483	0.3
240.13625	0.5
246.12581	1.0
248.10310	1.2
252.13429	0.3
252.17220	0.2
253.15643	0.4
254.14993	2.2
256.13077	0.5
258.14554	0.4
264.13486	0.3
265.13007	3.4
266.11295	1.6
272.16251	0.2
283.14120	1.3
287.05646	0.3
292.13113	0.8
309.15613	1.4
309.19098	0.3
310.14401	0.3
311.17395	0.2
319.18170	0.3
323.21048	0.6
327.16614	2.6
327.20111	0.3
336.20309	1.6
337.18735	3.5
337.22345	0.3
351.20544	0.4
355.19760	2.8
364.19995	1.0
365.18466	0.6
380.19507	0.9
381.21683	0.6
382.20676	1.6
424.21835	0.4
434.24048	0.3
463.23343	0.3
466.26666	6.9
467.27167	0.3
469.28098	0.4
479.26382	0.5
481.24585	0.8
536.28662	0.3
545.27386	0.3
552.31415	3.0
562.29797	4.2
562.37482	0.3
563.28735	0.7
576.31915	0.4
580.30908	43.1
581.31067	1.1
594.32788	1.3
677.36707	0.8
726.83472	0.2
730.33185	0.3
792.43671	20.8
793.43561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	3.0
55.05516	19.1
57.03441	16.8
57.07080	2.7
59.03489	2.1
61.02927	2.4
62.32564	2.0
65.03925	3.5
67.05508	71.8
69.03444	10.0
69.07068	22.1
71.04996	12.2
71.08615	6.1
73.02877	2.5
79.05498	61.5
81.03400	8.6
81.06596	3.9
81.07056	78.5
83.04957	5.2
83.08630	10.8
85.02892	5.5
85.06534	3.2
86.09721	3.1
91.05486	39.8
91.59577	1.7
93.07047	69.7
95.04954	10.4
95.08607	65.6
97.02367	2.4
97.02893	21.8
97.06509	8.2
97.10184	3.2
99.08064	7.9
105.04501	2.3
105.07030	34.8
107.08602	38.2
109.02847	2.3
109.06510	6.5
109.10159	20.5
111.08069	3.5
117.07034	11.7
119.08581	24.2
121.06485	3.1
121.10150	34.0
123.08048	2.8
123.11661	5.9
125.00026	2.8
125.09669	1.9
127.03889	6.1
129.06992	6.0
131.08577	21.6
133.10141	24.4
135.08046	2.3
135.11690	19.1
139.11180	1.9
143.08527	2.9
145.05188	2.0
145.06396	2.7
145.10118	15.2
147.11693	16.4
149.09616	3.6
149.13246	10.6
151.11166	5.7
157.10106	4.4
159.11705	14.7
161.13239	11.9
163.11151	3.5
163.14793	4.6
171.11656	6.1
173.09673	2.3
173.13271	12.4
175.14816	5.5
177.12772	2.7
179.14316	13.4
184.07355	18.4
185.07802	2.6
185.13165	5.2
187.14825	6.1
189.16397	2.3
191.14244	2.4
199.14807	3.5
202.30009	1.9
241.19467	5.4
259.20572	17.6
261.22153	7.2
271.20364	1.8
275.19940	2.9
277.21616	33.1
289.21631	2.3
333.24176	8.6
335.25784	100.0
351.25391	31.2
477.28107	2.7
553.42267	2.4
611.46765	56.1
612.47058	3.6
737.48767	2.1
791.53473	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	790.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.8
55.05273	2.8
55.05515	39.1
57.03199	1.8
57.03446	18.8
57.07064	4.8
59.04718	2.8
59.05006	31.2
61.02927	3.5
65.03951	2.9
67.05512	100.0
69.03414	7.2
69.06801	1.6
69.07077	18.6
71.04998	14.2
71.08613	3.9
71.52708	1.8
79.05499	48.5
81.03426	13.2
81.06592	3.2
81.07064	63.2
82.07377	2.3
83.04974	8.2
83.08622	16.1
85.02888	8.2
85.06520	3.8
86.09689	2.1
87.04475	53.6
89.06020	6.6
91.03991	2.4
91.05490	28.7
93.07060	43.6
94.88615	1.9
95.04967	6.1
95.08070	3.2
95.08623	42.5
97.02879	3.4
97.06532	4.0
97.10171	21.7
97.26793	1.5
99.04469	14.6
105.07038	20.7
107.04955	2.9
107.08604	27.9
109.06496	3.6
109.10168	53.1
111.08089	4.5
117.07020	7.3
119.08585	18.8
121.10159	19.6
123.08082	1.7
123.11707	4.7
125.09632	15.6
127.03885	2.9
129.06998	2.8
131.08574	11.4
133.08594	3.2
133.10132	13.1
135.11688	9.8
137.09619	3.9
139.11189	1.7
141.07057	1.8
143.08574	2.6
143.10635	2.4
145.10118	8.9
147.11697	7.7
148.28732	1.9
149.13264	7.4
155.10739	2.1
157.10152	3.2
159.11688	7.3
161.13272	3.4
163.11139	4.8
163.14752	1.8
169.10149	2.4
171.11711	2.1
173.11736	17.2
173.13205	3.4
175.14798	3.0
183.11751	2.5
184.07385	3.1
187.14882	2.8
193.12201	3.9
199.13348	9.8
201.16231	1.9
223.13335	1.8
227.12750	7.8
229.14369	43.2
241.14288	3.0
243.21045	2.9
259.20609	2.9
261.22147	12.4
265.87061	1.8
267.15799	9.0
271.20499	2.2
277.21606	2.9
315.17975	9.1
317.24884	2.7
335.25787	62.1
336.26321	2.2
337.27344	6.7
363.25253	6.4
477.35901	20.2
489.35779	49.7
517.35052	2.1
523.49445	2.4
529.38428	4.5
543.36963	4.0
547.39307	5.2
557.04974	2.3
575.39258	4.8
593.40137	4.4
655.10468	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	789.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.6
55.05514	10.8
55.53365	1.0
57.03438	9.6
57.07079	1.7
65.03944	2.4
67.05510	35.7
69.07072	14.1
71.05006	2.2
71.53374	1.5
74.96341	0.9
79.05497	34.0
81.03420	2.5
81.07063	44.8
83.04974	3.7
83.08626	6.2
85.06545	2.7
91.05487	35.8
93.07049	36.8
95.04981	3.3
95.08611	26.4
97.06564	5.3
97.10168	2.6
99.04472	2.3
105.04539	1.1
105.07036	30.3
107.04953	4.1
107.08598	18.0
109.06520	4.8
109.10157	9.2
111.08091	2.0
117.07026	13.2
119.07815	1.8
119.08589	21.9
121.06504	2.3
121.10146	13.9
123.07988	2.3
123.11702	3.2
125.09718	1.1
129.07018	2.3
131.08560	16.9
133.10126	16.5
135.08101	1.8
135.11722	8.8
137.09633	2.2
141.06944	1.1
143.08611	2.7
145.10130	12.8
147.08008	1.7
147.11702	7.3
149.09630	2.7
149.13287	2.7
153.12781	1.5
157.10103	2.6
159.11703	8.0
161.13274	3.6
163.11151	1.5
171.11745	1.7
173.13277	4.3
175.14932	1.4
177.12744	1.1
179.14320	2.1
184.07372	4.9
185.13242	2.6
201.16370	3.6
203.14374	2.6
206.84740	1.1
219.17448	89.8
233.01712	1.0
239.18036	1.2
256.00128	1.0
257.18994	4.4
275.20056	27.9
293.21124	2.2
335.25815	61.9
349.23749	17.9
423.21698	1.1
543.40228	1.7
609.45166	100.0
610.44769	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	789.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
56.05033	0.8
57.03422	0.4
61.02919	0.3
67.05505	1.0
69.03436	0.5
70.06587	3.6
71.51964	0.6
72.08142	0.8
74.06088	0.4
79.05487	0.7
81.03399	0.4
81.07042	1.2
84.04500	0.8
84.08144	2.8
85.02899	0.7
86.06096	0.4
86.09704	1.6
90.52617	0.3
91.03929	0.4
91.05490	0.8
93.07043	0.9
94.06598	0.6
95.04958	0.3
95.08607	0.4
97.02912	0.7
98.09691	2.1
98.20882	0.3
102.05567	0.4
105.07030	0.7
106.06560	0.4
107.07337	1.4
107.08605	0.4
108.08118	0.6
109.10171	0.8
110.07162	0.9
119.04945	0.4
119.08550	0.3
120.08102	0.8
121.06495	0.4
121.10115	0.4
122.09672	3.6
125.09632	0.3
127.03909	0.6
129.10234	0.7
132.08099	0.4
135.06882	0.4
136.07607	0.7
140.14313	1.4
145.10199	0.3
147.04427	0.6
150.09145	20.1
151.09464	0.4
165.09154	0.3
190.08607	0.3
204.06534	0.4
209.10736	1.2
223.12289	0.7
224.09477	0.3
225.10239	0.7
235.08682	1.3
236.09398	1.4
237.10226	9.4
238.10756	0.4
239.11884	0.4
249.10265	4.7
250.07405	0.3
250.11011	1.8
251.08293	0.4
251.09483	0.3
251.11844	3.0
253.09726	0.6
255.11336	0.4
261.10275	0.8
263.08185	1.2
264.08942	5.6
265.09702	3.1
266.10480	0.5
267.11307	2.2
269.09128	0.6
277.09726	6.0
278.10547	2.3
279.07980	0.8
279.11252	6.8
280.08524	0.3
280.11890	0.7
281.09229	1.6
281.11899	0.3
283.10785	0.4
287.05554	0.8
289.09460	0.3
291.07745	1.1
292.08514	1.0
293.09241	34.0
293.12784	3.4
294.09775	0.8
295.10751	1.7
299.13904	0.4
300.08636	0.3
305.09241	6.4
306.09952	0.7
307.10794	7.3
307.14200	0.5
309.08713	1.3
309.12411	1.2
311.10367	1.2
311.14008	1.0
312.11215	0.5
313.11877	1.2
322.13101	0.7
323.10263	4.6
323.13980	0.4
324.11029	0.6
325.11841	3.5
326.12561	0.4
327.13535	1.0
329.11450	0.4
333.08704	5.0
337.11938	1.0
338.12408	0.7
339.09616	0.6
339.13422	5.0
343.12973	0.4
351.09753	22.2
353.11197	0.9
353.15109	1.8
354.12067	0.8
355.12939	1.2
365.11356	2.3
366.12128	6.5
367.12402	0.3
369.14462	0.7
370.11652	0.4
371.12436	3.2
372.13687	0.3
381.68878	0.3
383.12360	7.1
383.16986	0.4
385.14050	1.4
386.14783	0.3
398.14633	3.2
399.15417	0.3
402.18198	0.7
430.17679	9.6
437.17322	0.5
447.18085	0.3
460.18805	1.0
462.20236	11.4
463.20868	0.5
464.21722	0.4
472.15085	0.3
488.18289	1.0
492.21252	0.4
503.20584	2.2
520.20734	1.9
535.23157	100.0
536.23517	2.7
600.23230	2.0
610.24280	0.4
624.25848	0.6
632.26178	4.0
641.26007	0.7
642.26318	0.5
753.43054	0.5
790.36749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.9
57.03420	0.5
61.02908	0.8
64.08326	0.4
67.05497	1.5
69.03434	0.8
69.07053	0.5
70.06597	4.4
71.51515	0.4
72.08138	0.9
74.06075	0.4
79.05492	1.4
81.03419	1.1
81.07053	1.2
84.04503	0.9
84.08153	3.4
85.02895	2.3
86.09714	2.4
91.03952	0.7
91.05479	1.0
92.05807	0.4
93.07050	1.4
94.06560	0.7
95.05004	0.4
95.08608	0.7
97.02877	0.5
98.09682	3.5
98.82198	0.4
105.07032	1.7
107.07346	1.7
107.08600	1.0
109.06555	0.5
109.10156	0.9
110.07164	0.6
119.08625	1.0
120.08123	1.4
121.10160	0.6
122.09654	3.9
129.10255	1.5
133.10118	0.5
136.07642	0.9
140.14360	1.6
145.04922	0.5
146.06017	0.4
147.04419	1.1
150.09142	17.7
172.25874	0.4
209.10741	1.1
209.41498	0.4
235.08644	0.8
236.09499	1.3
237.10257	8.7
249.10271	4.1
250.11032	1.5
251.07991	0.6
251.11809	2.7
253.09822	0.8
261.10217	0.6
263.07999	0.7
264.08908	4.6
265.09714	2.6
267.11331	2.0
277.09763	5.8
278.10474	2.3
279.11261	7.4
281.09238	1.5
281.12326	0.6
289.09583	0.8
291.07639	1.2
292.08527	1.0
293.09238	32.9
293.12775	3.6
294.09726	0.6
295.07712	0.4
295.10812	1.7
305.09262	5.8
306.09875	0.7
307.10797	5.9
309.08719	1.7
309.12491	1.3
310.09430	0.6
311.10367	0.9
311.13971	0.9
313.11832	1.2
322.13214	0.5
323.10208	3.4
325.11765	3.0
333.08765	4.2
337.11865	0.9
338.12433	0.8
339.13361	4.6
351.09790	20.9
353.11215	1.2
353.15237	1.3
354.12082	0.7
355.12909	1.2
365.11484	1.8
366.12143	5.3
369.14703	0.7
371.12448	2.8
383.12390	6.1
385.13858	1.7
386.14996	0.8
398.14764	3.4
399.15573	0.6
402.18115	0.9
430.17578	7.5
437.17474	0.4
450.24741	0.8
462.20288	10.3
488.18015	0.6
492.21634	0.7
503.20459	1.9
520.20734	2.7
535.23163	100.0
536.23779	2.6
600.23486	2.2
610.24609	0.9
624.24890	0.6
632.25903	3.5
641.26178	0.7
722.61243	0.5
753.42487	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01828	1.6
55.05451	6.2
57.03378	4.1
61.02864	4.5
65.03890	1.6
67.02576	0.6
67.05437	22.6
68.04954	0.8
68.05782	0.6
68.94071	0.6
69.03359	4.6
69.07001	6.0
70.06531	1.3
71.04951	1.3
73.02844	2.8
79.05494	16.7
80.04952	1.0
81.03405	3.5
81.07061	23.4
81.07500	1.3
82.06545	1.3
83.04925	1.5
83.08548	2.9
85.02831	4.3
85.06507	0.7
91.03913	1.6
91.05482	23.5
93.07043	19.2
93.07585	0.7
94.02856	0.8
94.06478	1.9
94.07046	0.7
95.04987	3.4
95.08608	15.3
96.04417	2.3
97.02897	4.2
97.06464	1.7
97.10080	1.5
98.05939	0.7
103.05419	1.6
104.06173	1.9
105.04488	1.0
105.07040	12.6
106.99901	0.8
107.04881	1.9
107.08598	9.8
108.08099	3.3
109.06456	2.2
109.10146	4.5
110.06054	8.6
111.04401	1.1
112.07525	0.8
115.05379	1.3
117.07027	5.0
118.06461	1.3
119.04948	6.1
119.05741	1.1
119.08596	8.3
120.08141	3.3
121.06416	3.0
121.10136	6.5
122.06047	6.9
123.04332	3.1
123.08038	0.9
123.11640	1.7
124.07532	1.2
127.03761	0.8
128.06129	0.9
129.06923	3.0
131.08575	8.7
132.05611	3.0
132.08080	3.3
133.06400	2.0
133.10133	4.6
134.05936	2.2
134.09555	1.1
135.07983	0.9
135.11705	3.6
136.07590	18.6
137.09575	1.0
138.05405	0.8
141.06897	1.2
142.07704	0.7
143.08534	3.6
144.08061	1.0
145.06456	3.4
145.10150	5.3
147.08015	4.3
147.11678	3.5
148.06438	0.7
148.07576	9.8
149.08266	4.7
149.09506	2.0
149.13216	0.8
150.05441	1.6
150.09035	1.5
155.08496	1.8
157.10045	2.5
159.08052	6.2
159.11584	2.8
161.09552	2.4
161.13193	1.7
162.09053	2.4
163.11081	1.3
169.10072	1.4
171.07909	0.6
171.11647	1.1
173.05841	1.1
173.09584	1.3
173.13272	1.2
174.09023	1.9
174.26595	0.6
175.11176	0.9
176.10652	1.2
183.11615	1.0
184.07280	1.4
185.13177	1.3
186.34663	0.7
187.14755	0.8
193.12209	1.3
195.60658	0.7
201.16283	1.5
211.14825	1.5
228.17503	1.4
229.15857	2.3
231.17378	0.9
239.14357	1.2
246.18590	5.4
254.46558	0.7
256.16901	1.8
257.15262	3.0
267.15866	1.6
273.03308	0.7
274.18027	49.0
287.43854	0.9
292.19092	6.0
295.72665	0.7
311.65216	0.7
311.69049	0.7
313.16293	0.8
330.20679	1.6
335.25778	6.9
348.21741	10.9
366.18488	1.2
366.22787	15.3
418.84973	0.7
430.32932	0.7
497.31387	1.0
527.37842	1.9
545.38293	1.5
555.36877	1.0
573.37970	2.2
608.43555	2.3
626.44208	100.0
627.44727	3.4
770.48737	1.0
788.49457	73.9
789.50024	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	788.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
55.05512	1.8
57.03440	0.9
61.02925	1.3
61.03421	0.2
65.03915	0.5
67.05505	2.9
69.03426	1.2
69.07073	1.1
70.60487	0.4
71.01353	0.2
71.04964	0.2
71.43508	0.2
73.02574	0.1
79.05482	2.0
81.03423	1.2
81.07057	2.4
83.08582	0.5
85.02914	1.6
87.04408	0.2
91.03926	0.6
91.05479	3.7
92.05005	5.0
93.05782	1.0
93.07041	1.9
94.06574	1.1
95.04933	0.3
95.08620	1.1
97.02898	1.4
97.06514	0.3
97.10133	0.2
99.04443	0.3
101.02355	0.4
105.07025	1.2
106.06556	2.1
107.04942	0.2
107.08560	0.9
109.02866	0.2
109.06492	0.2
109.10129	0.5
115.05428	0.3
117.05744	1.9
117.07002	0.3
118.06543	18.1
119.07340	1.5
119.08537	0.9
120.04419	0.3
120.08098	2.1
121.10111	0.6
127.03913	0.4
129.06963	0.3
130.06519	1.8
131.07260	0.6
131.08543	0.8
132.08089	2.4
133.08855	0.4
133.10104	0.6
134.09639	0.7
135.11742	0.2
143.08516	0.2
144.08076	0.9
145.08803	0.3
145.10107	0.3
146.09648	1.0
147.11670	0.3
148.11154	0.2
149.09599	0.2
150.09093	0.4
158.09630	0.2
159.11713	0.2
160.11182	0.6
162.09138	19.6
163.09926	5.7
163.11148	0.2
164.10660	0.7
176.10718	1.8
190.12218	0.3
202.15913	4.2
203.16150	0.2
212.14462	0.2
218.15398	0.6
219.17395	0.2
230.15404	33.1
231.15730	0.5
246.18521	0.4
248.16493	1.9
258.18530	0.3
262.18011	2.3
267.15851	0.7
274.18076	1.1
275.20032	0.3
286.17780	0.2
292.19064	83.1
293.19339	1.6
304.19049	2.2
318.20886	0.2
322.20212	0.6
332.22195	1.0
335.25787	0.2
348.21719	2.5
349.23611	0.2
366.70151	0.2
480.25781	0.3
510.26956	8.7
541.35229	1.7
559.36139	0.2
582.29352	0.2
608.44183	0.2
626.44281	3.9
627.44513	0.2
788.49384	100.0
789.49774	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	788.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.3
55.05510	1.4
57.03445	1.0
57.03664	0.2
60.08130	0.2
61.02930	1.3
65.03912	0.5
67.05503	3.4
69.03429	1.3
69.07050	1.2
70.06553	0.3
70.69789	0.4
71.04975	0.2
79.05489	2.2
81.03409	1.2
81.07054	2.3
83.04947	0.4
83.08604	0.4
85.02912	1.7
86.09686	0.6
91.03929	0.6
91.05475	3.6
92.05004	4.5
93.05753	0.9
93.07048	2.4
94.06544	0.8
95.04952	0.4
95.08612	1.5
97.02894	1.5
97.06513	0.3
99.04400	0.2
101.02346	0.2
105.07026	1.1
106.06561	2.3
107.08602	1.2
109.02902	0.3
109.10166	1.5
111.08082	0.2
115.05434	0.3
117.05756	1.6
117.06963	0.4
118.06541	16.5
119.07344	1.7
119.08594	0.7
120.04433	0.3
120.08121	1.4
121.06479	0.2
121.10114	0.8
123.11703	0.2
125.00009	0.4
125.09573	0.2
129.06970	0.4
130.06506	1.4
131.07289	0.5
131.08542	0.2
132.08092	2.4
133.08864	0.3
133.10098	0.9
134.09676	0.5
135.02495	0.2
135.11703	0.4
137.08374	0.4
144.08070	0.8
145.10138	0.5
146.09657	1.0
147.11682	0.4
149.09560	0.2
149.13234	0.2
150.09128	0.3
151.11124	0.4
158.09677	0.3
159.11678	0.3
160.11214	0.4
162.09143	18.2
163.09932	5.4
163.11104	0.2
164.10701	0.8
173.09586	0.2
176.10678	1.8
177.11334	0.2
184.07338	2.0
190.12291	0.5
202.15915	4.3
209.11920	0.2
218.15416	0.5
219.17390	0.2
230.15407	35.3
231.15764	0.4
232.16904	0.3
246.18553	0.4
248.16457	1.9
253.14334	1.0
262.18005	1.2
267.15854	0.2
274.17926	1.3
283.15521	0.9
292.19064	97.8
293.19443	1.8
304.19067	1.7
322.20120	0.9
332.22284	2.0
335.25922	0.4
348.21658	2.9
348.25104	0.3
468.90436	0.2
479.26535	0.3
510.27005	7.2
541.35309	0.5
573.34705	0.3
626.44128	4.0
652.18390	0.2
688.50720	0.2
770.49371	0.3
788.49384	100.0
789.49835	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	787.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.9
55.05514	31.1
57.03443	10.0
57.07073	2.0
61.02931	7.6
65.03941	4.0
67.05508	59.7
69.03426	4.0
69.06729	1.1
69.07070	16.1
70.76272	1.5
71.01390	0.9
71.04990	3.8
73.02901	2.3
73.06549	0.9
77.03913	1.2
78.83298	0.8
79.05495	46.4
81.03413	3.1
81.07059	63.4
83.04980	4.8
83.08624	11.9
85.02907	6.8
85.06539	2.3
91.03953	2.9
91.05485	61.9
93.07047	49.1
95.04965	5.7
95.08608	42.5
96.33672	0.7
97.02901	6.2
97.06541	5.2
97.10159	3.8
99.08090	1.1
103.05461	2.8
105.04516	1.8
105.07034	45.3
107.04951	4.5
107.08598	24.4
109.06542	8.1
109.10159	13.4
111.08092	3.8
115.05449	6.6
116.06228	2.5
117.07023	33.8
117.07861	1.8
119.04964	1.3
119.06021	0.9
119.08583	29.2
121.06497	3.7
121.10146	17.5
123.08080	5.3
123.11755	4.0
125.09605	2.2
127.03890	1.8
128.06218	13.9
129.05525	1.2
129.07016	20.4
130.07771	6.9
131.08571	52.6
132.08853	1.0
133.06516	7.9
133.10139	18.6
135.08073	5.8
135.11678	8.2
137.09627	2.6
139.11153	1.1
141.06987	8.3
142.07782	4.5
143.08563	47.2
144.09337	1.9
145.06477	3.0
145.10127	63.0
147.08040	7.0
147.11700	9.1
149.09648	6.7
149.13263	4.9
151.07588	0.9
153.06984	1.0
154.07759	1.8
155.06032	1.2
155.08569	5.7
157.06551	1.1
157.10133	20.4
158.10919	1.0
159.08063	3.4
159.11681	16.0
161.09605	10.3
161.13289	3.7
163.11140	5.0
165.07011	2.1
165.12769	1.1
166.07748	2.3
167.08560	3.9
169.10138	10.6
171.08104	1.8
171.11694	14.6
173.09676	3.9
173.13280	5.5
175.11188	6.4
175.14857	1.4
177.09142	1.3
177.12782	4.1
179.08424	1.0
180.09381	1.4
181.10104	8.2
182.10867	1.5
183.11673	7.2
185.09628	2.0
185.13228	6.8
187.11180	3.6
187.14839	2.3
189.12743	2.9
191.10655	0.9
193.10149	1.0
195.11691	12.8
196.12585	1.0
197.13293	3.0
199.11226	2.6
199.14894	2.3
201.12741	1.9
209.13275	2.4
211.14850	1.8
213.12747	2.1
213.16400	1.3
215.14380	1.2
218.72006	0.8
227.17963	4.9
230.88458	1.0
231.13680	0.9
237.16382	13.5
241.14320	1.0
245.18968	5.1
255.17439	19.5
257.19031	1.1
259.20569	1.7
261.22095	4.2
267.17538	0.8
271.16891	1.3
273.18503	61.8
274.18903	0.8
275.20114	1.8
291.19534	1.6
329.21149	5.4
335.25803	100.0
336.26169	2.6
347.22162	33.0
348.22684	0.8
349.23679	1.4
365.23462	1.2
431.94421	0.8
475.33859	1.1
517.64825	0.8
567.40845	0.9
607.43591	42.7
608.43640	2.1
625.44824	9.6
645.49243	0.8
699.34406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.7
55.05511	39.3
57.03437	10.9
57.07070	3.0
59.05005	1.6
61.02930	9.1
65.03947	4.9
67.05505	65.8
67.63244	1.0
69.03419	5.9
69.06728	1.8
69.07070	23.3
69.54937	2.2
69.55350	4.1
71.04990	4.0
73.02914	3.7
73.06567	0.9
75.23736	1.0
77.03928	2.2
79.05014	1.4
79.05493	52.1
81.03435	4.8
81.07055	67.6
83.04996	4.9
83.08617	15.4
85.02908	8.2
85.06532	3.0
87.04441	1.4
91.03964	2.1
91.05480	80.3
93.07043	53.9
93.07635	2.4
95.04970	8.4
95.08605	48.7
97.02883	4.0
97.06545	6.4
97.10177	11.0
98.21478	1.5
99.08104	2.0
103.05467	3.9
105.04539	2.5
105.07031	64.8
107.04961	4.3
107.08591	25.7
109.06536	9.7
109.10140	14.5
111.08093	4.6
113.09583	1.2
115.05451	9.8
116.06261	5.6
117.07014	48.9
119.04969	2.5
119.06068	1.1
119.08582	34.7
121.06514	6.2
121.10146	20.8
123.08071	8.2
123.11722	4.2
125.09644	4.7
127.03881	1.5
128.06224	26.2
128.32721	1.1
129.07005	32.7
130.07791	13.3
131.04962	1.2
131.08569	86.3
133.06520	8.5
133.10129	21.1
135.08072	5.0
135.11697	10.4
137.09618	3.0
139.11189	3.0
141.07005	14.1
142.07768	6.9
143.08560	96.6
144.09264	3.3
145.06496	4.2
145.10121	100.0
146.10487	1.2
147.08037	10.5
147.11690	10.2
149.09639	4.5
149.13278	5.2
151.07495	2.2
151.11295	1.2
153.07018	1.8
154.07756	1.5
155.06058	2.4
155.08534	10.1
157.10117	26.2
159.08047	6.6
159.11708	20.5
161.09621	10.5
161.13278	5.5
163.11168	3.8
163.14767	1.1
165.06987	3.4
166.07779	2.0
167.08554	4.4
167.10709	1.3
168.09344	1.2
169.10133	19.8
171.08069	2.6
171.11684	17.3
173.09607	4.1
173.13245	8.0
175.11229	6.0
175.14838	1.0
177.12718	5.0
179.08492	1.3
180.09334	2.4
181.10115	15.2
182.10916	2.3
183.11674	14.1
184.07301	1.6
185.09636	1.8
185.13237	9.6
187.11139	3.0
187.14836	1.9
189.12770	2.5
193.12228	1.3
195.11699	24.1
197.13289	2.4
199.11172	3.3
199.14789	2.4
201.12704	3.7
207.11780	1.6
209.13252	3.8
211.14894	3.2
213.12756	4.3
213.16319	1.4
225.16382	1.0
227.14403	1.4
227.18005	8.3
231.13806	1.8
231.17398	1.1
237.16380	27.2
241.14465	2.8
243.17665	1.5
243.20908	1.7
245.18958	6.3
255.17426	30.7
257.18958	1.4
261.22076	3.4
273.18491	85.0
275.20294	1.5
291.19528	3.3
311.20221	1.8
317.24557	1.9
329.21109	9.9
335.25790	97.0
336.26193	1.3
347.22183	51.0
475.34116	1.4
533.39240	1.3
607.43518	72.9
608.43701	2.5
625.44543	5.4
662.73810	1.2
702.52509	1.3
787.48596	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.0
55.05513	10.4
57.03444	4.4
57.07044	0.5
58.18523	0.5
59.04971	0.5
61.02930	20.2
61.03221	0.7
61.33051	0.5
65.03909	1.5
65.80423	0.5
67.05507	20.8
69.03439	5.7
69.07067	9.0
70.06602	4.2
70.66305	1.2
71.04958	2.1
72.08141	0.6
73.02917	6.9
79.05496	17.7
81.03421	4.8
81.07056	21.1
83.04973	2.9
83.08169	0.5
83.08619	6.2
84.08112	1.6
85.02906	23.2
85.06507	1.7
85.40178	0.5
86.09682	1.3
87.04439	1.0
91.03963	12.4
91.05482	25.3
93.07048	18.9
95.04961	4.0
95.08605	12.8
97.02318	0.6
97.02899	11.9
97.06529	3.6
97.10130	2.1
98.09652	1.5
98.21439	0.5
99.04433	1.5
99.08057	1.2
99.71495	0.5
103.05451	1.3
105.03326	0.6
105.04524	0.5
105.07032	19.0
107.04969	3.4
107.08605	8.9
109.02824	1.2
109.06526	3.0
109.10147	6.3
110.53600	0.5
111.04406	0.8
111.08044	1.7
115.03893	1.5
115.05438	3.0
116.06232	0.8
117.06262	1.0
117.07023	15.7
119.04913	1.4
119.08585	11.7
120.08062	0.7
121.06521	4.3
121.10155	6.4
123.04389	0.8
123.08051	2.5
123.11683	0.9
125.09605	1.6
127.03918	5.7
128.06221	5.1
129.07008	20.2
129.10138	0.7
130.07692	0.5
131.04889	1.3
131.08571	23.2
133.06509	4.0
133.10129	8.3
135.04437	0.5
135.08061	4.1
135.11679	3.2
136.75839	0.4
137.05959	0.5
137.09596	1.9
139.11127	0.8
140.14291	0.9
141.07004	9.3
142.07738	1.4
143.08568	16.2
144.09229	0.7
145.04970	4.2
145.06496	5.7
145.10127	11.6
147.08061	3.9
147.11757	2.8
149.06041	0.7
149.09636	3.6
149.13242	0.8
151.11185	1.4
153.06953	1.4
154.07787	1.0
155.05971	0.7
155.08559	13.6
156.09386	0.9
157.06534	2.3
157.10129	9.7
159.08078	3.4
159.11708	6.8
161.09656	3.0
161.13254	1.0
163.05994	3.1
163.11157	1.9
165.06982	1.6
165.09105	0.7
165.12685	0.7
166.07788	1.4
167.08563	5.1
168.09312	0.9
169.06474	0.6
169.10126	8.2
171.08006	2.0
171.11681	6.7
173.05971	0.6
173.09576	2.4
173.13300	2.3
175.11160	1.4
177.05373	0.5
177.12720	1.4
178.07771	0.6
179.08542	2.5
180.09344	0.9
181.10117	6.1
182.10907	0.8
183.08131	1.2
183.10283	0.5
183.11736	6.2
185.09601	2.0
185.13257	4.1
187.11220	2.4
187.14755	1.8
189.12752	0.8
191.08513	0.9
191.10754	0.6
192.09122	0.6
193.10188	3.1
193.11909	0.6
195.11688	6.2
197.09576	1.1
197.13251	4.7
199.11113	1.5
199.14902	2.4
201.12717	1.3
201.16435	0.6
203.14265	1.1
205.10159	1.2
205.12044	0.9
207.11694	2.5
209.09633	0.6
209.13248	4.3
211.11182	1.5
211.14774	2.8
213.12831	3.0
213.16412	1.2
215.14336	2.1
219.11711	0.9
219.13800	0.7
221.13286	5.4
223.14880	4.0
225.12683	1.6
225.16365	2.3
227.14267	1.4
229.14166	1.0
229.16096	1.0
231.13847	0.8
231.17412	1.2
233.13297	0.9
233.15385	0.9
235.14868	4.1
237.16428	1.4
239.14320	3.2
239.17947	0.8
241.15904	1.5
243.13689	0.6
243.17619	0.7
245.15396	0.8
247.14758	1.0
249.16414	1.2
253.15895	2.0
255.13785	0.7
257.15402	2.2
257.18460	0.6
259.16840	1.1
267.17609	0.8
271.16968	2.6
273.18619	0.9
275.16428	1.0
285.18567	1.4
285.58340	0.5
305.22659	1.4
315.21051	1.7
320.61606	0.5
323.23715	2.9
333.22083	6.7
341.24814	5.1
345.20819	0.6
351.23172	21.8
359.25912	0.6
369.24258	18.4
387.25348	9.8
389.24747	0.6
393.24536	0.6
407.25739	0.9
415.28424	0.8
425.26846	6.6
433.29300	1.3
443.27939	100.0
444.28165	2.1
446.23373	0.5
450.25177	0.7
450.75238	0.6
461.28992	66.6
462.29214	2.5
477.26642	0.6
485.28610	2.4
496.99475	0.5
497.29398	0.5
503.29980	1.9
527.29828	0.9
551.29907	1.2
569.31067	2.4
587.32196	3.0
605.32556	2.5
623.34064	2.8
656.17773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03435	0.7
57.07074	4.0
59.50320	0.0
61.02932	0.7
65.03953	0.1
67.01874	0.1
68.99788	0.8
69.00127	0.1
69.03428	4.9
70.06584	0.3
70.49268	0.1
71.01355	0.1
71.04993	0.6
72.08157	0.1
73.02916	0.8
79.05491	0.1
81.03416	6.5
83.01337	0.1
84.08140	0.1
85.02904	7.0
85.06539	1.1
86.09709	0.1
87.00829	3.2
87.04456	0.1
90.45976	0.0
91.03968	0.3
95.04976	0.1
97.02890	3.7
98.09686	0.1
99.00809	0.1
99.04453	1.7
101.02380	0.1
103.03948	0.1
103.07579	0.3
105.01862	1.5
105.03353	0.2
107.04975	0.2
109.02878	4.9
111.00806	0.5
115.03927	0.1
117.01854	0.7
121.02864	3.2
121.06505	0.1
125.02348	0.1
127.03915	7.6
128.04231	0.1
129.01852	0.5
129.10249	0.1
133.02850	0.4
135.04414	0.1
136.07607	0.0
137.02336	0.6
141.01817	0.1
145.04956	2.8
145.06410	0.1
147.02953	0.3
147.04353	0.4
153.01822	2.3
157.06508	0.2
159.02890	2.4
161.06001	0.1
165.01822	1.2
171.02881	0.1
171.04420	0.1
175.03993	0.1
175.09671	0.1
177.03909	0.1
183.02895	0.5
185.05957	0.3
189.03897	0.1
189.05498	0.1
197.06026	0.1
199.03967	0.1
201.05486	0.1
203.03590	0.1
203.07047	0.1
211.09531	0.1
213.03903	0.1
213.05536	0.8
217.04942	0.1
219.06442	0.1
229.10699	3.5
231.04659	0.8
231.06635	0.3
241.04916	0.8
245.04407	0.2
247.11755	1.3
258.05203	0.6
259.06009	0.3
263.05682	0.1
269.04459	0.1
286.04715	0.2
287.05484	100.0
288.05789	1.6
299.05615	0.1
311.05545	0.3
329.06512	1.0
353.06567	0.1
377.06537	0.1
395.07535	0.3
449.10928	0.1
499.08411	0.1
515.15344	0.1
517.09998	0.2
533.16541	3.7
534.16644	0.1
535.10406	0.3
642.08600	0.0
643.72382	0.0
708.03198	0.1
781.22443	0.1
814.90363	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	781.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01667	0.1
55.01876	1.0
57.03450	0.7
61.02921	0.6
65.03955	0.1
67.01873	0.2
67.05500	0.1
68.05004	0.1
68.99787	0.9
69.03433	5.8
69.28547	0.8
70.06596	1.1
71.05005	0.8
72.08131	0.3
73.02926	0.8
79.05480	0.1
81.03422	7.9
84.04492	0.2
84.08154	0.9
85.02911	7.1
86.09709	0.5
87.00832	3.2
91.03957	0.3
91.05485	0.1
97.02895	4.0
97.03526	0.2
98.09710	0.3
99.03848	0.2
99.04458	2.3
103.03947	0.2
105.01871	1.5
107.04955	0.2
107.08571	0.1
109.02886	9.3
110.07187	0.2
111.00805	0.5
112.08788	0.1
115.03949	0.2
117.01880	0.6
120.08117	0.2
121.02007	0.2
121.02873	3.0
121.06512	0.1
127.03922	9.5
129.01875	0.5
129.10220	0.3
133.02878	0.4
136.07579	0.2
137.02374	0.5
139.03908	0.3
140.14378	0.1
145.04971	1.7
145.06282	0.1
145.06528	0.1
147.02904	0.2
147.04402	0.7
153.01831	2.3
153.03015	0.2
157.06487	0.2
159.02895	2.1
165.01846	1.2
169.05002	1.8
169.06430	0.2
183.02922	0.6
185.05965	0.4
187.06030	4.6
189.05515	0.1
197.05997	0.2
203.07059	0.1
213.03909	0.2
213.05501	0.9
229.07137	0.6
231.04591	0.6
231.06622	0.4
241.04927	0.7
245.04414	0.1
247.08093	0.9
258.05185	1.0
259.06128	0.3
269.04523	0.2
283.13239	0.2
286.04733	0.1
287.05505	100.0
288.05798	1.7
299.05713	0.2
309.11166	0.1
329.06610	0.9
353.06583	0.1
395.07553	0.3
407.23688	0.1
472.05936	0.2
491.29263	0.1
517.26422	0.1
533.12970	5.0
534.13049	0.1
535.10760	0.1
547.67480	0.1
590.08527	0.1
590.27405	0.1
633.40051	0.2
717.45758	0.1
780.44659	0.4
781.46478	0.2
789.37585	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	781.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
57.03422	0.6
60.44973	0.1
61.02916	0.6
63.94569	0.2
65.03931	0.2
68.99775	0.8
69.03430	4.3
69.61979	0.2
70.06587	0.2
71.04990	0.5
73.02910	1.0
73.93154	0.1
77.06085	0.1
81.03421	5.7
85.02904	9.3
87.00324	0.2
87.00830	2.9
87.01340	0.2
91.03935	0.2
97.02893	2.8
98.20654	0.3
99.04449	1.5
99.66177	0.2
103.03946	1.0
105.01887	1.4
105.03378	0.3
107.04971	0.2
109.02882	4.8
111.00799	0.5
115.03924	0.5
117.01889	0.4
121.02868	2.9
122.76431	0.1
127.03924	5.9
129.01860	0.3
132.29326	0.2
133.02846	0.3
137.02354	0.6
145.04967	2.3
147.02840	0.4
147.04430	0.4
153.01825	2.6
157.04944	0.4
159.02878	2.0
165.01837	0.9
171.04398	0.2
183.02914	0.6
185.06076	0.2
189.05437	0.2
195.18701	0.2
213.05544	0.9
229.07115	0.6
231.04607	0.7
231.06918	0.3
241.04967	0.9
247.08183	0.2
258.05222	1.0
259.06097	0.4
287.05493	100.0
288.05835	1.8
307.53506	0.2
329.06601	0.9
353.06274	0.2
376.61206	0.2
395.07825	0.2
449.10803	19.1
450.11169	0.2
517.09991	0.2
533.12903	7.3
534.13092	0.2
535.10840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38889	0.2
55.01878	0.4
55.05516	1.5
55.05752	0.3
55.55925	0.2
57.03443	2.0
57.07096	0.2
59.05002	0.6
61.02933	4.6
67.05511	4.4
69.03439	2.7
69.07068	0.9
69.94819	0.6
69.95216	0.4
71.01353	0.3
71.05008	1.1
73.02923	3.6
79.05506	3.4
80.05913	0.2
81.03424	2.7
81.07065	3.8
83.04988	0.4
83.08635	0.9
85.02920	4.1
85.06564	0.3
87.04497	0.6
91.03967	2.8
91.05487	2.2
93.07053	2.9
95.04983	0.5
95.08627	3.0
97.02901	3.6
97.06573	0.3
98.20904	0.3
99.04479	0.6
101.02374	1.7
103.03969	0.4
105.07031	1.6
107.04976	0.3
107.08621	1.8
109.02876	0.5
109.10200	1.5
115.03951	0.5
117.07043	0.5
119.08597	1.4
121.10167	1.8
123.08109	0.3
127.03929	1.3
129.07024	0.7
131.08588	1.1
133.10199	0.7
135.11717	0.7
145.10129	0.4
147.11720	0.9
149.09648	0.8
149.13301	0.3
149.56993	0.2
157.10184	0.4
159.11746	0.3
161.13258	0.3
175.11229	0.5
183.45094	0.2
184.07405	0.4
185.04274	0.6
193.12263	0.8
210.97559	0.2
217.38472	0.2
225.15018	0.3
243.08437	2.5
261.22263	0.3
267.15939	0.5
283.15204	4.9
283.18091	0.3
306.22647	0.2
335.25952	0.7
338.27719	0.3
339.17993	0.5
445.01785	0.2
485.87482	0.3
501.23105	7.1
502.23898	0.3
519.29376	7.4
779.45551	100.0
780.45844	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	780.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.1
56.05037	0.7
58.06633	0.5
59.07396	0.1
60.08168	6.4
66.34144	0.1
67.05495	0.3
69.29903	0.7
69.40631	0.1
70.06604	0.2
71.07378	3.7
79.05483	0.2
80.97452	0.2
81.07053	0.3
86.09711	30.9
87.10064	0.1
91.05470	0.1
93.07036	0.1
95.08597	0.2
98.98473	3.1
104.10752	2.3
109.05660	0.1
109.10086	0.1
125.00012	20.8
143.01073	0.2
166.02678	0.3
183.74818	0.1
184.07349	100.0
185.07684	0.7
186.07945	0.1
188.13814	0.1
232.90849	0.1
323.25934	0.1
449.02423	0.1
518.32092	0.2
520.33887	0.1
597.48419	0.1
640.08539	0.1
640.20129	0.1
780.55383	3.8
781.54980	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	779.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
55.05512	0.8
55.74316	0.1
55.90171	0.1
56.05036	1.0
57.03441	0.3
58.06310	0.2
58.06599	3.7
60.04537	0.1
67.05502	0.5
68.05028	0.7
69.03431	0.9
70.06592	5.7
71.04990	0.3
72.04517	0.2
72.08159	0.2
73.02896	0.1
74.06071	0.5
79.05484	0.4
80.04991	0.1
81.03421	0.3
82.06575	1.2
83.04972	0.2
84.08144	100.0
84.87791	0.1
85.02893	0.9
85.08471	0.7
86.06059	0.4
86.09698	0.5
94.06590	0.3
94.88837	0.1
95.04971	0.4
96.08130	5.3
97.02883	0.4
98.06079	0.1
98.09705	1.1
98.21525	0.2
99.04452	0.3
100.07616	3.6
102.05537	0.3
102.09213	0.2
106.06556	0.6
108.08126	0.3
109.02879	0.2
110.06029	0.3
110.09682	0.7
111.04481	0.2
112.07603	2.0
114.05544	0.1
114.09176	0.2
117.05508	0.1
120.08105	0.7
121.02902	0.3
122.06056	0.2
122.09670	1.0
124.07594	1.3
127.03940	0.3
127.12318	13.5
128.07092	0.4
128.10738	0.2
128.12709	0.1
129.05434	0.1
129.10258	0.9
130.08604	0.6
133.02847	0.1
136.07607	0.3
137.02357	0.1
138.09123	0.9
140.14255	0.1
142.08630	3.8
144.10202	0.1
147.04407	0.1
150.09152	0.6
152.10716	0.8
153.01888	0.3
156.10205	4.1
158.08148	0.2
164.09286	0.1
165.01837	0.2
165.94937	0.1
168.10263	0.2
169.13388	0.6
170.11765	3.2
173.12865	0.4
178.64783	0.1
179.11830	0.2
184.09680	1.6
187.14447	1.4
198.11237	0.6
201.12341	0.1
202.10695	0.7
211.14474	0.3
212.12901	0.4
213.05478	0.2
218.76582	0.1
220.11807	2.4
220.13855	0.1
228.12325	0.3
230.55371	0.1
244.11807	3.5
254.13918	0.3
255.18810	0.1
258.05243	0.2
258.13467	0.5
272.14984	0.2
286.04718	0.2
286.12811	0.5
287.05499	14.9
288.05878	0.2
288.14459	0.5
295.16531	0.3
302.15982	0.2
306.69391	0.1
313.17557	1.3
314.15991	1.7
327.08530	0.2
331.18625	5.7
332.19196	0.1
345.04840	0.1
380.42590	0.1
449.10910	0.3
572.17493	0.1
617.23389	1.0
625.13251	0.1
762.25250	0.4
779.28662	41.0
780.28638	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5382
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
55.05521	0.2
55.10890	0.2
56.05037	1.0
57.07092	0.3
60.08166	6.2
67.05499	0.3
69.41226	1.2
69.41636	0.4
70.06590	1.0
71.07372	3.3
79.05508	0.3
81.07053	0.4
84.08151	0.8
86.09708	31.4
91.05477	0.4
93.07043	0.4
95.08623	0.3
98.21461	0.4
98.98466	3.7
104.10743	1.9
104.53395	0.2
116.07111	1.2
125.00007	21.6
130.08664	1.3
166.02568	0.3
184.07346	100.0
185.07707	0.3
245.29742	0.3
401.17755	0.3
407.55621	0.2
778.53998	3.2
779.53497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.0
55.05510	38.4
57.03438	16.9
57.07077	2.0
59.04999	3.0
61.02924	3.0
65.03947	2.9
65.35949	0.5
67.05502	100.0
68.05847	0.7
69.03429	3.7
69.07065	16.6
71.01352	1.3
71.04986	4.1
71.08628	0.5
73.02917	2.0
79.05491	48.3
80.05812	0.6
81.03424	6.7
81.07053	60.2
82.07391	0.6
83.04984	6.1
83.08618	15.8
85.02900	16.5
85.06561	3.8
87.04464	7.3
91.03961	2.0
91.05478	26.4
93.07040	44.0
95.04966	5.1
95.08604	42.7
96.04514	0.6
97.02898	5.0
97.06540	4.3
97.10162	20.3
98.20737	1.2
99.04427	0.8
99.08076	1.5
103.03962	1.3
103.05453	0.6
105.04527	1.1
105.07033	16.0
107.04941	2.7
107.08591	27.3
108.08945	0.6
109.02921	0.6
109.06532	2.4
109.10152	54.0
111.04431	1.0
111.08094	4.7
111.11694	0.9
113.06026	0.5
113.09657	0.6
117.07015	7.1
119.08579	15.4
120.08907	0.6
121.06474	1.0
121.10142	20.6
123.08050	2.5
123.11695	5.1
125.06008	0.5
125.09624	19.5
125.97594	0.5
127.03898	0.8
127.11241	0.5
128.06187	0.5
129.05534	0.8
129.07031	2.4
131.08560	10.7
133.10133	11.0
135.08070	0.9
135.11684	12.4
137.09615	2.6
137.13248	1.1
139.11212	1.7
141.07001	0.7
143.08531	2.0
143.10704	3.9
145.06476	0.8
145.10123	9.0
145.11165	0.8
147.08080	1.3
147.11684	7.2
149.09630	1.7
149.13249	5.1
151.11163	1.7
153.12730	1.6
155.08563	0.9
155.10643	3.3
157.10097	1.9
159.11681	6.1
161.09601	0.7
161.13223	4.5
163.11154	5.6
163.14789	2.8
165.12758	1.4
167.10756	0.7
169.10052	1.2
171.11693	2.3
173.09630	1.3
173.11746	13.4
173.13271	5.0
175.11201	1.4
175.14857	1.5
177.12735	0.7
177.16370	0.9
179.14291	0.7
181.12289	1.6
183.11685	1.2
184.07323	1.8
185.11752	0.6
185.13284	1.7
187.14789	3.0
189.11218	2.1
189.12714	0.7
189.16376	1.0
191.10693	1.6
193.12222	2.1
193.15909	0.5
195.11700	0.6
195.13905	0.5
197.13208	1.0
199.13237	10.0
199.14758	1.1
201.16457	1.0
205.15872	0.7
209.11699	3.8
209.13344	0.6
211.13199	0.8
211.14941	0.9
217.14336	2.0
227.12753	6.5
229.14340	48.3
230.14680	0.6
241.14232	0.7
241.19543	0.8
243.21098	4.4
245.13818	2.7
255.15858	0.7
255.20244	0.5
257.13846	1.2
259.20624	2.1
261.22147	13.8
263.75443	0.5
267.15906	4.3
271.20499	0.8
277.21597	1.5
283.15503	2.7
285.77579	0.5
289.21619	2.0
299.23615	1.1
300.15164	0.8
301.16452	17.0
301.21686	0.6
303.23248	0.9
309.22012	0.7
315.23083	1.0
317.24686	2.3
319.17218	0.8
327.23206	1.3
333.24243	1.3
335.25787	73.0
336.26147	2.1
351.25131	1.3
363.25229	1.9
389.26761	0.7
451.32007	1.1
459.34680	1.5
463.22092	0.6
469.32736	0.9
477.35727	8.3
489.35791	15.3
525.35919	0.8
543.36700	4.3
561.37836	9.2
579.38660	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	776.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
55.05515	1.4
56.05040	1.6
57.03419	0.9
58.06582	0.7
61.02919	0.3
63.34166	0.2
65.03936	0.8
67.05508	7.4
68.05032	0.5
69.03442	1.3
69.07075	1.2
70.06596	14.3
71.01345	0.3
71.05003	2.7
71.06905	0.2
71.51187	0.3
71.51556	0.2
72.08145	1.4
72.41409	0.2
73.02895	0.3
74.06062	0.2
81.03415	0.5
81.07072	1.5
82.06576	0.5
83.04972	0.4
83.06049	0.2
83.07375	0.4
84.04488	0.6
84.08147	21.8
85.02907	3.9
86.09711	1.2
87.04459	0.2
91.05485	3.0
95.01332	0.4
95.04955	0.3
96.08124	1.1
97.02902	0.9
97.08927	0.3
98.09698	100.0
99.00812	0.7
99.10022	0.7
102.05560	0.4
107.04964	0.5
109.02911	0.3
109.10158	2.3
110.07170	0.8
111.04426	0.3
111.10458	1.2
111.87164	0.2
112.11295	1.1
115.03976	0.2
119.04114	0.4
119.04951	7.0
120.08120	0.5
126.12801	9.8
127.03926	0.5
129.05501	0.3
129.10233	0.7
136.07573	0.3
138.12796	0.2
140.14349	34.9
141.14656	0.3
144.13835	1.1
145.02859	0.2
147.04419	30.8
148.04785	0.3
158.15413	11.0
169.06419	0.3
177.05457	0.6
195.07997	0.3
211.07555	0.3
212.08344	2.6
213.09099	1.4
224.90617	0.2
243.46445	0.2
256.15454	0.4
304.19104	1.6
315.65866	0.3
436.23505	0.4
443.24432	0.5
450.24857	2.3
531.28644	0.3
600.28174	0.6
630.28986	0.7
672.30457	0.3
714.31183	4.1
730.30432	0.7
758.30328	2.1
776.34790	58.3
777.35345	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	776.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05512	2.3
56.04789	0.5
56.05040	6.5
57.03442	2.1
58.06601	0.3
60.55856	0.3
61.02924	0.5
65.03957	0.7
65.37527	0.3
67.05508	6.4
68.05048	0.6
69.03436	4.0
69.70652	1.8
70.06594	7.6
71.01350	0.6
71.04997	3.1
72.08162	1.1
73.02924	1.0
75.11440	0.3
79.05500	0.5
81.07055	1.3
82.06588	0.6
83.04989	1.0
83.07364	0.5
83.77160	0.3
84.08147	100.0
85.02908	6.1
85.08479	0.9
86.03227	0.4
86.09717	1.4
87.00845	0.4
87.04488	0.6
91.05499	2.3
91.81982	0.3
92.05801	0.4
95.01339	2.0
96.08120	0.9
97.02885	2.6
97.08915	1.0
98.09698	25.0
99.00799	1.8
99.10033	2.2
100.32836	0.3
101.07121	0.3
107.04982	0.6
109.02901	0.4
109.10168	2.7
110.07183	0.6
110.09641	0.3
111.04484	0.4
112.11318	0.5
113.02383	0.4
115.00314	0.4
115.03945	0.6
119.04957	5.0
120.08118	1.2
122.38509	0.3
124.11236	1.8
126.12798	55.6
127.03968	0.5
127.13183	0.4
129.10258	0.8
136.07558	0.9
140.14342	7.1
141.01811	0.6
141.14746	1.0
144.13850	4.7
147.04417	18.5
148.04729	3.0
149.04950	0.6
158.15413	3.1
159.15767	0.7
165.61183	0.3
166.08597	0.7
169.13382	0.4
212.08324	2.6
213.09138	1.1
224.12837	1.1
247.07576	0.3
260.52255	0.3
304.19174	0.5
326.60229	0.3
339.79303	0.4
353.53125	0.3
356.16949	0.4
388.61218	0.3
443.24463	0.4
449.47946	0.3
450.24780	0.9
600.28479	1.7
672.29974	1.5
696.30017	1.1
714.31238	24.0
715.30927	1.1
730.30511	3.3
732.31909	0.4
740.28180	0.8
758.30212	14.9
759.30133	0.5
775.36243	0.4
776.32397	25.7
777.31598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.1
57.06798	1.7
57.07077	30.5
57.20015	1.1
59.06072	0.9
60.08152	1.4
67.05494	4.3
68.39761	1.0
69.03432	1.5
69.07079	5.6
71.08241	1.6
71.08633	28.1
73.02895	1.1
73.06564	8.8
79.05478	3.4
80.77883	1.0
81.07087	4.9
83.08606	5.3
85.09733	1.5
85.10191	17.0
86.09705	5.2
87.04474	9.6
89.06036	100.0
91.05473	3.6
91.07599	1.9
93.07040	3.1
95.04961	1.0
95.08591	4.4
97.10160	6.4
98.20750	3.4
99.11723	2.0
105.07047	1.8
107.07069	2.0
107.08582	2.0
109.10162	1.8
111.11697	3.3
117.09142	9.6
119.08553	2.3
121.10101	1.6
124.99986	4.0
125.13256	1.9
127.14791	1.4
130.08636	3.7
131.07024	3.3
131.08517	2.1
133.08607	55.2
135.10114	1.1
141.16389	1.4
147.11618	1.1
155.17938	1.2
161.11720	3.4
175.09579	2.1
177.11238	22.0
184.07358	17.8
211.24213	2.1
221.13902	6.5
255.26845	1.6
265.16492	2.3
269.99234	0.9
283.17670	1.6
299.29395	7.0
309.19095	1.4
327.19467	1.0
335.25610	2.0
343.31949	4.5
353.21689	1.8
419.30588	1.0
488.92856	1.0
612.46912	1.9
757.56586	4.4
774.58423	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.8
55.05267	1.4
55.05511	18.4
57.03442	21.2
57.07060	1.9
59.47793	0.9
61.02908	1.6
65.03934	3.3
66.62894	1.0
67.05506	60.8
69.03430	3.0
69.07072	14.2
69.86254	4.2
70.77872	1.1
70.79163	0.8
71.04982	3.1
71.08635	1.0
79.05495	44.8
81.03419	84.3
81.07057	62.9
81.49883	0.9
83.04999	4.9
83.08618	22.2
85.02909	1.4
85.06539	1.7
85.89014	0.9
88.27235	1.0
91.05483	33.2
93.07043	45.7
95.04969	31.0
95.08607	44.6
97.02881	3.6
97.06523	4.2
97.10167	8.1
98.21513	1.2
99.08073	1.0
103.05454	1.1
104.12536	1.0
105.04541	1.2
105.07026	28.1
107.04951	8.4
107.08595	28.5
109.06512	3.9
109.09444	0.7
109.10152	21.5
111.04461	2.1
111.08079	9.8
115.05437	1.4
117.07031	8.6
119.08582	27.2
119.47188	0.9
121.06497	4.1
121.10144	24.8
123.08063	3.8
123.11697	7.7
125.09646	5.4
128.06259	1.2
129.07011	10.3
131.07610	1.2
131.08577	21.1
133.06505	3.6
133.10135	14.5
135.08060	2.2
135.11699	13.0
137.09612	2.4
137.13292	2.8
138.23506	0.9
138.74420	1.0
139.11241	1.3
141.07056	0.9
142.07765	3.0
143.08533	2.9
145.10117	10.8
147.08047	3.7
147.11682	16.5
149.09645	6.6
149.13271	7.9
155.08557	1.6
157.10143	12.0
159.11687	7.2
161.09624	1.1
161.13268	5.9
163.11169	3.1
163.14839	3.7
165.12730	1.8
169.10112	1.4
171.11691	2.9
173.09564	0.9
173.13232	6.6
175.11201	10.4
175.14824	3.6
177.16374	1.9
183.11610	1.2
185.13254	2.0
187.14767	3.2
189.11195	2.8
193.12267	20.9
199.14912	1.4
201.16371	1.8
205.12289	1.3
227.12778	5.5
235.13298	2.2
243.21098	4.5
249.14841	1.9
261.22162	19.6
267.15918	100.0
268.16321	1.0
279.23132	2.4
285.16934	1.1
285.22037	1.4
295.23007	1.0
299.23666	1.4
301.14310	1.3
301.25180	5.2
309.16962	3.0
317.24698	4.1
319.15305	1.1
335.25797	97.2
336.26105	1.9
407.23898	1.1
417.26160	1.3
421.26059	2.8
435.27399	2.0
435.32587	7.2
453.33694	8.4
461.28900	1.0
471.34915	4.8
475.30270	1.2
509.36133	1.6
527.37329	70.2
528.37732	2.1
545.38385	57.7
546.38989	2.1
559.39960	2.0
569.38635	5.4
577.40552	1.1
623.39221	1.5
653.40253	1.0
671.41473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.3
55.05266	1.6
55.05513	18.5
55.79025	0.9
57.03442	19.1
57.07067	2.7
59.04990	1.4
59.08811	1.1
59.53845	0.9
61.02935	1.7
65.03943	3.1
67.05508	63.8
69.03431	3.1
69.07066	15.0
69.35988	6.7
71.04997	3.5
74.17324	0.9
79.05499	39.9
81.03419	80.8
81.07060	64.9
81.66706	1.0
83.04988	7.1
83.08619	21.3
85.02901	1.3
85.06554	2.1
86.09706	2.6
91.03935	1.0
91.04915	1.5
91.05482	31.7
93.07044	49.5
95.04977	30.2
95.08610	44.3
97.02895	2.8
97.06536	4.2
97.10176	7.5
97.67474	1.1
99.08110	1.7
103.05477	0.9
105.04537	1.1
105.07036	28.1
107.04953	7.4
107.08597	25.4
109.06544	4.0
109.10153	17.9
111.04460	2.8
111.08103	7.8
113.09665	1.3
115.05511	1.9
117.07019	6.6
119.04941	1.7
119.08593	22.3
121.06535	5.2
121.10145	25.7
123.04421	1.4
123.08061	4.3
123.11703	6.6
125.00030	1.5
125.09641	4.5
129.07019	10.2
131.08572	18.6
133.06514	4.2
133.10138	14.1
135.08047	1.4
135.11702	13.5
137.09630	3.0
137.13237	1.6
142.07776	1.9
143.08566	2.9
145.10149	8.2
147.08063	2.7
147.11688	15.5
149.09624	5.5
149.13319	7.5
151.11211	1.9
153.12807	1.3
155.08594	1.8
157.10126	10.8
159.08121	1.0
159.11693	8.4
161.13287	6.0
163.11169	2.6
163.14815	3.4
165.12784	2.3
169.10086	1.7
171.10283	1.2
173.13266	7.0
175.11156	8.8
175.14833	2.8
177.12836	1.2
177.16263	1.0
184.07356	9.0
185.13348	1.7
187.14836	4.1
189.11255	2.2
193.12234	23.4
193.13898	1.9
199.14868	1.5
203.39389	1.0
207.13754	1.3
211.13280	2.8
227.12770	7.0
235.13277	2.7
243.21059	5.1
247.16734	1.1
249.14911	1.9
259.13370	1.3
261.22174	20.0
265.14334	1.2
267.15918	100.0
268.16211	1.3
273.15002	1.2
279.19815	0.9
279.23242	1.5
287.20004	1.1
299.23871	1.0
301.14392	1.2
301.25314	6.8
309.17059	1.7
317.24774	3.5
335.25815	94.3
336.26175	2.0
403.24875	1.5
421.25760	2.9
435.27588	2.1
435.32681	4.0
453.33701	8.4
471.34393	3.6
475.30383	1.3
489.36349	1.1
509.36078	2.3
527.37372	68.4
528.37677	3.0
545.38416	53.8
546.38574	1.4
559.39227	1.7
569.38739	5.5
577.40601	1.6
611.40363	1.2
635.38733	1.3
671.41309	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	774.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
55.05513	9.7
56.19289	0.7
57.03201	0.7
57.03442	9.4
57.07074	1.9
57.77211	0.6
61.02911	1.8
65.03922	2.4
67.05507	45.8
69.03419	2.2
69.07066	10.7
69.19308	6.7
71.04977	2.6
73.02921	1.0
79.05080	1.3
79.05497	22.5
81.03400	3.0
81.07057	35.1
81.63223	0.7
82.17838	0.7
83.04976	3.5
83.08607	5.2
85.02892	2.5
85.06538	2.6
91.05482	36.4
93.07044	27.8
93.07641	1.2
95.04965	6.0
95.08607	25.0
97.02891	1.1
97.06520	3.2
97.10172	1.5
99.04449	0.9
99.08063	1.1
105.04528	0.8
105.07037	24.5
107.07885	1.1
107.08598	23.2
109.06509	3.0
109.10162	29.0
111.08076	0.8
113.06030	1.8
115.05512	0.9
117.07042	5.9
119.08595	11.0
121.06493	2.5
121.10146	11.7
123.08110	1.5
123.11698	5.4
127.07500	1.9
128.06197	2.1
129.06963	1.2
131.08569	7.2
133.10135	52.6
135.08014	1.6
135.11700	6.8
137.09596	2.2
143.08553	3.5
145.10114	4.3
147.11720	3.9
149.13248	4.5
151.11192	24.0
159.11725	3.1
161.09610	11.2
161.13264	2.7
163.14844	2.5
169.12231	4.3
173.13229	2.7
175.14761	1.2
179.10693	9.0
184.07332	1.1
187.14815	1.6
197.11731	2.6
215.12788	13.4
243.21098	4.0
253.14349	14.8
261.22144	14.7
271.15393	5.6
299.14975	3.6
317.15958	59.1
317.24741	2.7
335.25806	100.0
336.26096	3.2
353.26865	1.1
363.25333	1.2
409.50970	0.9
457.33109	1.1
513.35657	1.9
527.37305	1.4
531.36597	5.1
533.31708	0.8
545.38385	1.9
559.36517	1.1
577.37341	39.6
578.37390	1.7
595.38391	1.7
597.13391	0.8
602.44122	1.7
702.88043	1.0
756.52295	1.0
774.47888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.5
55.05511	12.7
57.03440	13.3
59.04988	1.7
61.02903	2.2
65.03920	4.2
67.05508	62.4
69.03409	4.3
69.07076	14.8
70.82263	2.6
71.04978	4.6
79.05495	35.2
81.03416	6.5
81.07059	58.6
83.04985	6.7
83.08624	9.1
85.02908	3.7
85.06523	5.0
91.03958	1.4
91.05481	47.6
93.07046	40.3
93.07635	1.7
94.06542	1.1
95.04973	7.8
95.08611	33.3
97.02872	2.3
97.06521	6.4
97.10152	2.1
99.04450	2.4
99.08108	1.5
105.07037	36.6
107.04940	2.5
107.08597	39.9
109.06491	5.4
109.10158	45.1
111.08064	2.3
113.05978	4.0
115.44981	1.7
117.07040	7.5
119.08582	17.3
120.62812	1.2
121.06469	6.9
121.10156	17.5
123.08064	2.3
123.11716	10.7
125.09634	1.7
127.04012	1.6
128.06232	2.4
129.07007	1.9
131.08559	11.2
133.10138	85.5
135.08044	2.2
135.11713	10.4
137.09659	2.8
143.08534	5.6
145.10133	4.6
147.11676	7.0
149.09540	2.1
149.13252	4.6
151.09976	2.3
151.11182	32.8
157.10109	2.1
159.11696	4.2
161.09604	16.1
161.13269	3.4
163.14787	3.3
169.12207	5.6
171.27644	1.3
173.13245	4.7
175.11115	1.5
175.14839	1.4
179.10699	14.0
187.14832	2.7
193.12325	2.5
197.11736	4.0
215.12811	17.7
243.21091	4.9
253.14384	20.0
259.20639	1.5
261.13342	2.1
261.22119	20.7
267.15936	5.8
271.15512	6.5
285.16910	3.5
299.14874	5.3
317.15970	98.4
335.25803	100.0
336.26190	4.4
421.20956	2.8
422.21234	2.7
513.35791	2.1
527.37128	6.1
531.36664	6.2
545.38538	8.7
559.39752	1.7
577.37274	39.9
595.38190	3.1
689.42316	2.3
754.11639	1.4
774.52521	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	774.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05508	1.1
57.03443	2.3
61.02930	3.5
65.03939	1.3
67.05515	2.2
68.05025	0.7
69.03432	7.3
69.88151	0.5
70.06596	12.2
70.84616	1.3
71.01357	0.6
71.04996	5.5
72.08191	0.5
73.02923	1.6
78.72500	0.4
81.03416	2.6
83.04977	3.7
84.04470	0.5
84.08147	3.0
85.02907	28.3
86.09698	0.6
87.04462	1.0
91.03933	1.4
91.05484	11.3
96.08112	0.5
97.02902	7.5
98.09695	96.2
99.04439	1.1
99.10000	0.8
107.05013	0.6
109.02889	2.7
109.10119	0.5
111.04445	1.5
111.10450	1.1
112.11279	0.6
119.04945	24.8
121.17249	0.5
127.03917	5.0
129.05501	1.7
129.10303	0.6
133.04970	1.1
140.14345	30.8
141.14632	0.6
145.04921	3.1
147.04413	100.0
148.04802	0.8
158.15407	25.4
163.03911	1.4
163.06026	0.6
201.05550	0.6
250.29904	0.5
259.86157	0.5
275.09186	1.3
304.19037	5.2
309.09698	0.4
320.18634	0.7
612.30133	1.6
774.35437	97.9
775.35864	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	773.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81939	3.4
55.01865	6.5
55.05511	27.3
57.03442	15.4
57.07066	3.8
61.02938	15.1
65.03973	3.2
67.05508	87.0
69.03436	6.9
69.07076	28.2
69.19906	12.2
69.20341	14.2
69.60035	2.9
71.05006	7.6
71.08636	3.5
73.02923	5.0
76.62492	3.1
79.05500	70.8
81.03423	10.7
81.07063	87.2
82.07462	2.7
83.04987	5.2
83.08632	18.2
85.02923	16.0
85.06524	6.0
91.03954	7.3
91.05487	73.8
93.07050	86.9
93.94700	2.8
95.04980	9.0
95.08614	65.2
97.02906	10.6
97.06548	6.2
97.10194	4.4
103.05472	2.9
104.68188	3.5
105.04570	2.9
105.07032	67.0
107.04940	3.4
107.08596	44.9
109.06519	5.1
109.10159	26.6
111.08119	4.6
115.05453	4.2
117.07038	25.0
119.08588	52.5
121.06486	3.7
121.10144	37.7
123.08076	5.1
123.11729	8.4
124.99982	3.2
127.03915	4.5
128.06250	6.1
129.07005	17.0
130.07835	3.1
131.08585	39.1
133.10143	47.3
135.08051	3.4
135.11732	22.3
137.85376	2.6
141.07082	3.2
142.07831	3.7
143.08583	18.1
145.06596	3.1
145.10153	42.8
147.11708	36.9
149.09529	3.2
149.13264	14.1
155.08609	9.1
157.10161	19.7
159.11720	27.0
161.13283	23.4
162.45291	3.0
163.11278	3.7
163.14838	4.0
167.08624	4.5
169.10159	9.6
171.11690	18.8
173.13258	19.5
175.14870	10.5
181.10144	5.1
183.11679	5.8
184.07275	6.5
185.13307	11.4
187.14835	9.1
195.11749	5.7
197.13284	6.7
199.14879	12.2
201.16373	5.3
209.13354	4.7
211.14784	4.4
213.16463	6.0
231.21082	5.8
239.17996	4.6
241.19548	16.4
245.71783	2.8
257.19022	5.4
259.20593	46.8
261.22131	4.9
285.22012	3.8
301.21686	4.8
315.23270	5.0
318.75247	3.0
331.22656	4.3
333.24207	25.7
335.25830	69.5
337.27609	3.9
367.22720	3.2
367.30258	2.9
380.56088	3.1
519.42017	4.8
537.42712	4.1
541.39050	3.4
593.45520	11.3
605.37537	3.2
609.44922	6.6
611.46741	100.0
612.47601	4.4
623.46313	4.1
628.86688	3.1
701.47626	6.0
719.48206	6.3
737.49628	3.9
755.50488	5.9
773.50677	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.3
55.05267	2.5
55.05516	27.4
57.03443	17.7
57.07079	2.5
57.31172	1.7
61.02928	12.4
65.03954	5.1
67.05507	80.1
69.03434	7.8
69.07075	30.0
71.04999	4.7
73.02901	3.9
74.96642	1.6
75.43749	1.6
77.94267	1.7
79.05495	64.1
81.03426	7.0
81.07060	76.1
83.04977	4.3
83.08630	11.3
85.02921	13.7
85.06554	3.3
89.13680	1.7
91.03967	3.6
91.05483	62.7
92.46341	2.0
93.07047	74.4
95.04972	7.6
95.08612	61.6
97.02885	8.5
97.06526	4.7
97.10157	6.7
98.05860	1.6
99.08086	2.6
101.02380	2.0
103.05489	4.4
105.04579	1.9
105.07038	54.2
107.04945	1.9
107.08600	42.9
109.06532	4.3
109.10162	22.1
111.08058	2.7
115.05492	3.2
117.07027	21.3
119.08589	55.9
121.10148	33.2
123.08064	3.8
123.11737	6.0
125.09692	2.5
127.03891	1.9
128.06197	2.9
129.07018	12.6
131.08575	36.8
133.10133	40.1
135.08090	2.3
135.11700	25.2
137.09651	2.8
137.13281	3.7
141.07025	2.7
142.07785	2.1
143.08563	12.5
145.06447	2.2
145.10136	33.1
147.08035	2.1
147.11696	36.4
149.09685	3.0
149.13251	12.9
151.11185	3.0
155.08595	5.7
156.09354	1.7
156.29858	1.8
157.10147	15.6
159.11714	27.2
161.09628	2.8
161.13277	24.3
163.14844	6.9
167.08588	3.8
169.10109	8.1
171.11707	19.2
173.13286	15.1
175.11299	2.2
175.14810	9.2
181.10120	2.4
183.11707	6.8
183.98204	1.7
184.07379	1.9
185.13283	11.4
187.14883	7.5
189.12816	2.9
195.11723	3.4
197.13315	5.7
199.14851	7.6
209.13348	3.7
213.16447	3.8
215.14278	2.1
215.18021	3.1
223.14795	3.5
231.21069	3.4
237.16573	2.0
239.17950	2.2
241.19582	23.7
243.21170	3.2
257.19058	7.6
259.20593	45.2
261.22104	10.3
271.20627	2.5
273.22162	2.9
275.20090	3.4
277.21658	2.1
301.21729	3.4
313.21521	3.0
315.23160	5.3
333.24252	29.8
335.25815	66.3
336.26221	2.8
337.27441	2.9
367.22751	4.9
385.23364	2.0
403.24448	3.2
459.27237	2.7
489.35501	2.1
519.41833	5.1
541.39288	2.2
593.45514	10.3
609.44977	3.9
611.46722	100.0
612.46722	3.7
623.45880	2.2
689.46771	2.6
701.47339	6.4
719.48145	2.5
737.49634	5.0
755.50385	5.4
773.51544	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	769.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
57.03441	1.1
57.33439	0.1
58.06563	0.1
61.02927	0.7
68.99792	0.7
69.03429	5.0
70.06600	1.0
71.04989	0.5
71.33796	0.2
72.08139	0.5
73.02928	0.9
74.69943	0.1
81.03418	6.2
83.01316	0.2
84.04528	0.2
84.08160	0.8
85.02907	7.5
86.09698	0.3
87.00832	3.3
87.04448	0.2
91.03955	0.2
92.02612	0.2
93.03387	0.4
97.02894	3.1
98.09702	0.2
99.04442	1.9
103.03942	0.2
105.01865	1.8
109.02879	5.4
110.07156	0.4
117.01859	0.9
120.08092	0.2
121.02859	0.5
126.03109	0.2
127.03917	7.0
129.01851	0.6
129.10231	0.2
130.06593	0.1
135.04477	0.2
137.02394	0.3
139.03877	0.6
145.04965	2.4
145.99934	0.2
147.02882	0.5
147.04387	0.1
151.03899	1.6
151.04990	0.2
153.01830	3.5
153.03018	0.3
159.02876	2.2
163.03917	0.3
163.69392	0.1
165.01802	0.4
177.05473	0.3
183.02876	0.2
187.06018	1.5
198.91705	0.1
201.05498	0.3
203.03323	0.2
205.07074	0.3
213.03903	0.2
217.04881	0.2
218.05704	0.2
219.03018	0.2
220.71051	0.1
228.04256	0.6
229.04944	1.8
231.02931	0.2
231.04945	1.1
232.06561	0.1
241.07471	0.3
245.04411	0.5
246.05235	0.7
256.03781	0.2
257.04422	1.8
260.03171	0.2
261.07489	0.3
271.06006	0.3
273.03955	0.8
274.04739	2.9
284.03113	0.4
285.03949	3.1
286.04617	0.2
288.06110	0.2
301.09598	0.2
302.04218	10.0
303.04709	0.4
317.06549	100.0
318.06906	1.9
341.06778	0.2
359.07605	1.0
383.07535	0.2
425.08713	0.2
436.53220	0.1
454.81863	0.1
493.57275	0.1
505.93741	0.1
521.12903	12.4
522.13165	0.2
565.12341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84797	1.6
55.05506	5.0
57.03447	3.3
67.05512	18.8
69.07083	6.4
69.27415	4.7
69.27825	12.4
79.05492	12.7
81.03426	4.5
81.07065	20.4
83.04991	2.1
83.08613	4.3
91.05482	6.6
93.07046	22.7
95.04993	4.3
95.08617	22.1
97.02884	2.6
97.06525	3.0
99.04462	2.7
105.07051	6.0
107.04974	3.9
107.08586	16.6
109.09010	1.7
109.10133	3.6
117.07057	3.5
119.08589	7.6
121.06542	2.3
121.10176	8.6
123.11698	2.0
131.08601	2.2
133.10168	3.5
135.11700	26.0
137.68530	1.8
139.07535	4.5
139.08609	1.9
145.10136	13.2
163.11194	31.0
172.76819	1.7
181.12234	6.5
204.44835	1.9
209.11922	2.4
227.10571	3.3
227.12794	55.7
261.22223	8.4
283.15427	100.0
292.79276	1.8
301.76859	1.8
335.25824	91.6
417.14200	2.3
543.36877	65.0
768.48407	11.5
783.22369	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	768.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.7
56.43847	1.4
57.03446	3.1
67.05511	14.0
69.07075	3.3
71.52219	1.7
71.52610	1.6
79.05497	11.5
81.07062	13.9
83.08607	3.8
88.58664	1.3
91.05491	6.7
91.53509	1.4
93.07057	14.5
94.17694	1.3
95.04961	2.1
95.08611	17.5
97.02937	2.5
99.04449	1.8
105.07038	2.4
107.04980	2.7
107.08601	10.9
109.10149	5.8
117.07060	2.9
119.08585	5.2
121.06532	2.4
121.10151	7.2
131.08598	1.6
133.10167	2.6
135.11708	17.9
145.10155	10.7
149.13203	1.5
150.20668	1.6
159.11723	1.4
161.13298	1.4
163.11179	16.9
175.59323	1.3
181.12213	4.3
219.26636	1.8
227.12813	42.3
243.21121	1.7
261.22162	8.7
268.04587	1.3
283.15408	60.9
317.24933	2.0
335.25830	100.0
419.46777	1.4
475.23871	1.3
543.36896	69.8
544.37158	3.5
582.30603	1.7
768.48578	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
55.05530	0.1
55.74542	0.1
57.03447	0.8
61.02933	0.7
65.06553	0.1
68.99794	0.8
69.03432	4.8
70.06591	0.8
70.66277	0.3
71.04994	1.2
72.08151	0.2
73.02920	0.9
76.08791	0.1
81.03421	5.9
83.01340	0.1
84.04516	0.2
84.08174	0.5
85.02908	6.7
86.09692	0.5
87.00838	2.9
89.06050	0.2
91.03983	0.2
91.47888	0.1
97.02892	3.2
98.09697	0.2
99.04462	1.9
101.02358	0.1
105.01864	1.6
105.03349	0.1
107.04899	0.1
109.02885	5.2
110.07129	0.2
111.00809	0.4
117.01849	0.7
120.08112	0.2
121.02008	0.2
121.02873	2.8
127.03922	7.3
129.01845	0.5
129.10291	0.2
133.02834	0.3
137.02345	0.7
141.02008	0.1
145.04974	2.4
147.02910	0.3
147.04420	0.6
153.01836	2.3
157.06470	0.3
159.02890	2.4
159.04132	0.2
165.01862	1.1
171.02969	0.1
171.04425	0.2
173.05865	0.1
175.03996	0.1
183.02953	0.6
185.05910	0.2
197.06049	0.2
203.07077	0.1
213.03760	0.1
213.05544	0.8
215.09146	3.7
231.05026	0.7
231.06744	0.4
233.10193	1.2
241.04916	0.8
245.04346	0.1
258.05313	0.5
259.06085	0.3
261.36667	0.1
287.05502	100.0
288.02975	0.1
288.05862	1.6
299.05511	0.2
311.05460	0.2
329.06567	0.9
353.06421	0.2
375.46802	0.1
377.06393	0.1
395.07755	0.3
517.09662	0.3
519.15002	5.0
520.15179	0.2
535.10760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
57.06792	1.1
57.07079	22.4
59.04988	0.8
66.04710	0.7
67.05485	0.7
69.03413	0.9
69.07061	2.0
71.08634	39.3
73.06569	3.6
77.03975	0.5
79.05495	1.1
85.10184	21.4
87.03930	1.0
87.04469	27.9
89.06032	100.0
91.05478	9.4
93.07043	4.3
95.05011	1.2
95.08597	0.8
101.51199	0.6
103.05492	1.6
105.07031	3.9
107.04929	4.1
107.07079	0.9
107.08580	4.0
109.06536	0.6
113.06016	0.6
115.05435	0.7
117.07049	2.7
117.07784	0.6
117.09145	1.8
118.07905	0.7
119.04939	2.9
119.08590	3.5
121.06505	16.5
121.07382	1.0
121.10139	1.1
123.08107	0.9
127.14839	1.3
130.08643	1.6
131.07040	12.9
131.08591	1.4
133.08607	69.0
135.08049	6.4
135.11700	1.9
136.05273	0.9
145.10127	1.2
147.08043	9.1
149.09612	6.7
149.13271	1.5
150.06804	2.7
161.09702	1.0
163.07547	0.7
163.11177	3.8
164.08350	1.1
165.09128	5.6
167.10712	1.7
173.09636	0.7
173.13231	0.5
175.09698	7.8
175.11128	0.8
177.11237	27.9
177.12680	1.6
178.11461	0.6
179.69716	0.6
182.50682	0.6
191.10646	3.3
191.14317	0.7
193.12318	2.0
209.11806	2.1
211.13362	2.2
217.12236	0.6
219.12326	2.5
221.13846	6.8
235.13348	3.6
247.20593	15.4
253.14363	1.0
255.15961	2.2
265.16574	2.0
273.22061	4.0
279.15961	0.9
283.17474	1.2
283.30756	0.5
289.21799	0.8
289.25348	2.0
291.23203	27.2
292.23547	0.6
299.18552	1.7
309.19183	2.0
317.24756	3.5
323.18671	0.7
335.25818	7.3
353.21683	1.3
384.59683	0.6
397.24338	0.7
494.01205	0.5
623.36426	1.8
661.45862	0.8
705.47272	0.7
749.50385	7.7
750.50067	0.6
766.53192	11.0
776.61359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
56.05039	3.8
57.03430	0.1
61.02929	0.1
65.03931	0.1
67.05503	0.4
68.05042	0.2
69.03435	0.9
70.06594	1.2
70.73491	0.1
70.73840	0.3
71.04977	0.2
72.08144	0.2
73.02897	0.1
79.05494	0.1
81.03423	1.0
81.07084	0.1
82.06579	1.2
83.04987	0.2
84.08147	100.0
85.02901	0.7
85.07880	0.1
85.08478	0.6
86.06078	0.2
86.09695	0.2
86.71640	0.1
96.08129	0.5
97.02885	1.0
98.09694	0.6
99.04482	0.3
109.02879	1.2
110.07172	0.1
111.04472	0.3
112.07684	0.1
120.08123	0.3
121.02926	0.3
124.07597	2.9
126.09168	1.4
127.03921	0.9
129.10258	0.3
133.04979	0.1
136.07610	0.2
137.18376	0.1
139.03899	0.3
140.14388	0.1
142.08630	1.1
144.10201	11.8
145.04964	0.2
147.04440	0.2
151.03940	0.2
153.01816	0.7
186.11264	0.1
187.06065	0.4
205.07065	0.1
228.04218	0.1
229.04956	0.4
245.04568	0.1
246.05235	0.2
246.13448	0.3
252.12251	0.6
257.04523	0.4
261.07755	0.1
270.13354	3.2
273.04031	0.3
274.04706	0.5
285.03952	0.9
288.14417	16.0
289.14734	0.2
302.04236	2.9
317.06567	16.9
318.07013	0.2
451.62646	0.1
479.11966	0.9
556.08508	0.1
604.20276	2.3
660.81329	0.1
766.25458	23.6
767.25989	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.6
55.69416	0.5
56.20290	0.6
57.03439	1.8
61.02932	5.8
67.05511	4.7
69.03441	4.0
69.07093	1.6
69.59039	2.3
69.59451	1.0
71.58971	0.5
73.02924	3.8
75.12862	0.6
79.05501	4.1
81.03425	3.5
81.07065	5.2
83.04949	0.9
83.08633	1.1
89.73350	0.5
90.06821	0.5
91.03955	4.0
91.05490	3.1
91.88416	0.5
93.07047	5.1
95.05012	0.7
95.08608	3.6
97.02902	5.2
99.04456	0.7
101.02388	1.4
105.07034	2.1
107.08565	2.8
109.02924	0.8
109.10159	1.3
115.03970	0.8
119.08605	1.5
121.10181	3.0
127.03921	1.3
129.07071	0.7
131.08589	1.1
133.10126	1.3
135.11707	1.0
139.11185	0.8
146.20529	0.5
147.11743	1.1
149.09673	0.7
149.13306	0.7
184.07478	0.8
185.04224	0.6
193.12216	0.8
215.57043	0.5
243.08437	3.4
251.12624	0.9
269.13654	1.8
335.25745	1.5
371.17017	0.8
443.18869	4.6
469.20679	2.7
487.21765	4.0
519.29279	8.1
543.01599	0.5
603.40930	1.1
721.41583	1.1
747.42395	2.5
765.43970	100.0
766.43634	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	763.46
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.05511	1.9
57.03444	1.9
61.02929	5.5
62.41632	0.4
67.05507	5.2
69.03436	3.9
69.07085	1.1
71.04987	2.4
73.02922	4.7
79.05502	3.6
81.03429	2.2
81.07065	5.6
83.08621	0.8
85.02902	5.5
85.06544	0.7
91.03951	3.4
91.05491	2.3
93.07051	4.3
95.04996	0.5
95.08617	3.7
97.02887	4.6
97.06549	0.7
99.04469	1.6
101.02406	1.7
103.03959	0.5
105.07038	1.4
107.08588	2.1
109.02891	0.8
109.06550	0.5
109.10174	2.0
119.08611	1.3
121.10172	1.4
123.11687	0.6
127.03934	1.7
131.08604	0.6
133.10168	1.5
135.11749	1.0
145.10150	0.9
147.11748	0.5
149.09753	0.4
149.13229	0.6
159.11742	0.6
185.04259	0.4
203.05244	0.6
210.45782	0.4
243.08484	2.2
243.15891	0.4
267.15842	1.7
323.18494	0.5
335.25916	0.9
461.44684	0.5
485.23560	5.2
519.29248	7.9
763.46051	100.0
764.46124	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	762.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
55.65400	0.3
57.72522	0.3
61.02932	0.5
67.05497	1.0
69.03430	0.5
69.07047	0.5
70.06595	2.1
71.52082	0.5
74.06082	0.4
79.05511	0.9
81.03411	0.5
81.07047	1.4
83.04998	0.4
84.04509	0.4
84.08162	1.6
85.02906	0.6
85.67313	0.3
86.09711	1.0
89.34418	0.4
91.05494	1.2
93.07028	0.8
95.04966	0.6
95.08617	0.7
97.02876	0.5
97.06517	0.6
98.09731	0.3
105.07015	1.5
107.07358	0.7
107.08600	1.3
108.08124	2.6
109.06519	0.5
109.10162	0.7
116.04975	2.3
119.08585	0.7
120.04456	0.3
120.08098	0.6
121.06514	0.6
121.10136	0.6
122.09698	1.0
123.08086	0.5
125.09673	0.3
129.10266	0.7
131.08565	0.4
133.06522	0.4
133.10138	0.5
134.06033	0.5
136.07573	0.9
144.04445	6.8
145.10118	0.7
146.06079	0.4
147.04335	0.7
147.11627	0.4
150.09157	4.7
157.10146	0.7
162.05528	3.3
167.10666	0.6
169.10196	0.4
172.03937	52.6
173.04312	0.8
176.06987	0.5
181.12184	0.6
190.04984	0.9
192.06625	0.5
204.06561	100.0
205.06874	1.3
225.02954	0.4
235.36342	0.4
281.12851	1.0
309.12347	4.8
313.15332	0.5
327.13409	0.8
331.40265	0.4
341.14960	43.9
342.15372	0.9
373.17603	12.6
548.07843	0.4
588.31750	0.5
621.26758	0.5
649.26855	0.7
681.28632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
56.05051	2.2
57.03417	0.6
57.05801	0.4
60.04535	0.6
65.03939	0.6
67.05499	2.4
68.05033	0.7
69.03426	0.8
69.07074	0.7
70.06601	12.5
71.04973	0.9
71.06934	0.7
71.51568	0.7
72.08169	4.2
74.06107	0.5
79.05502	0.7
81.07056	0.9
83.04982	0.9
84.04498	2.0
84.08154	30.1
85.02893	1.6
86.06078	1.8
86.09718	7.1
91.05487	4.4
93.07050	0.7
95.08599	0.7
98.09115	0.5
98.09707	6.2
99.10052	0.6
102.05560	0.6
107.04961	2.3
108.88777	0.5
109.10184	0.9
110.07151	1.5
115.03916	0.6
119.04117	0.8
119.04958	13.0
120.08120	2.5
121.08405	0.5
126.12809	16.5
129.10236	3.9
136.07607	2.3
139.08621	0.4
140.14334	2.0
144.13855	27.3
145.06340	0.5
147.04425	100.0
148.04764	1.4
155.08191	0.5
159.09181	0.6
173.12859	0.4
190.25002	0.4
195.13933	0.5
201.05501	1.2
228.13359	0.6
275.09076	2.3
287.05298	0.5
290.17603	0.9
327.14423	0.6
420.41449	0.5
429.72003	0.5
436.23367	62.0
437.23578	1.8
450.24896	0.9
528.21997	0.5
762.36707	7.6
763.36963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76196	0.9
55.05498	3.8
56.47739	1.0
57.07079	32.8
59.04994	1.3
59.05407	1.0
60.08153	1.0
60.68423	0.9
62.63530	0.9
65.14156	1.1
66.59540	0.9
67.05482	3.7
67.33075	1.0
69.07058	4.4
71.04987	1.1
71.08635	28.8
71.51786	1.2
73.02908	1.2
73.06564	8.5
79.05477	1.4
81.07050	3.7
83.08610	4.5
85.10183	15.8
86.09698	2.5
87.04473	10.3
89.06036	100.0
91.07589	1.3
95.08604	2.2
96.08984	0.9
97.10166	4.6
99.11726	2.0
105.06993	1.8
107.07035	1.7
107.08644	1.1
109.10136	1.0
111.11697	4.0
117.09139	10.2
124.99973	1.5
125.09665	1.2
125.13258	2.4
127.14827	1.8
130.08626	2.7
131.07040	3.4
133.08615	58.2
135.10190	1.4
141.16336	1.2
155.20723	1.3
161.11720	2.2
175.09720	2.4
177.11243	21.7
184.07385	6.0
197.22656	3.1
207.14409	0.9
221.13791	5.0
239.14964	1.1
241.25269	1.9
251.85312	1.0
257.11655	1.2
265.16489	1.6
283.17569	2.1
285.27896	7.6
308.55722	1.0
309.19061	1.8
329.30527	4.7
397.24756	1.1
436.59653	1.2
454.44330	1.1
505.38824	1.8
547.33197	2.0
563.42944	2.4
571.46893	1.1
743.54950	4.0
760.59033	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	760.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01861	3.5
55.05268	1.5
55.05512	17.7
57.03439	20.0
57.07071	2.0
61.02931	1.3
65.03939	2.5
65.66885	0.9
67.05505	62.5
68.05829	0.8
69.03419	3.7
69.07070	14.5
71.04977	3.4
71.73680	0.8
75.35624	1.0
77.03934	1.0
79.05493	43.4
81.03419	78.1
81.07053	58.9
83.00191	0.9
83.04981	6.3
83.08150	1.6
83.08620	23.5
84.25899	0.9
85.02899	2.5
85.06541	2.5
86.09728	1.5
90.46738	0.9
91.03971	0.9
91.05478	32.6
93.07043	49.7
95.04971	27.0
95.08605	46.0
97.02886	3.7
97.06525	5.8
97.10171	7.5
99.08070	1.7
100.27059	1.0
103.05402	1.2
105.07033	28.1
105.26749	0.8
106.24289	1.0
107.04964	6.3
107.08590	27.0
108.63454	0.8
109.06517	4.8
109.10156	20.6
111.04436	1.2
111.08085	6.3
116.06200	1.0
117.07009	8.1
119.08585	26.5
120.37693	1.0
121.06516	5.9
121.10144	24.5
123.04436	2.0
123.08065	3.8
123.11722	7.0
125.09638	5.8
129.07010	10.1
131.08569	21.5
133.06496	3.2
133.10123	15.1
135.08023	2.0
135.11696	14.2
137.09605	4.0
137.13226	2.8
142.07753	2.8
143.08568	3.1
145.10126	10.8
147.08061	3.6
147.11697	14.9
149.09650	5.6
149.13272	7.8
155.08514	1.2
157.10120	11.2
159.11693	7.7
161.13268	4.6
163.11182	3.7
163.14812	3.0
165.12778	2.0
169.10095	1.4
171.11650	2.5
173.13205	5.6
175.11159	8.6
175.14824	2.8
177.12695	1.6
177.16367	2.0
183.11684	0.9
184.07355	4.8
185.13173	2.0
187.14803	3.0
189.11176	2.6
189.12701	1.7
189.16199	0.9
191.14363	1.4
193.12251	24.1
195.11731	1.2
199.14832	1.2
201.16426	1.6
205.12209	1.2
211.13120	1.8
227.12727	8.5
235.13329	1.3
243.21053	5.0
249.14896	3.4
259.13156	1.1
259.20288	1.2
261.22116	18.0
267.15909	100.0
268.16272	1.2
279.23206	2.9
285.17014	1.2
287.18317	1.4
289.21777	1.1
299.23758	1.2
301.14355	1.4
301.21997	1.8
301.25009	5.7
303.23019	1.7
309.16937	2.6
317.24734	3.7
335.25803	91.2
336.26093	2.3
359.25977	1.3
364.62335	1.0
403.24582	1.9
417.25989	1.6
417.31262	1.5
421.25848	2.5
435.27130	2.9
435.32562	5.7
453.33542	8.2
471.35019	6.6
509.35916	1.8
527.37323	65.1
528.37445	2.8
545.38354	63.9
546.38422	2.5
563.39246	5.7
569.38574	5.6
635.38788	2.1
671.41748	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09959	0.2
55.01869	0.2
55.05510	1.5
56.05034	1.0
57.03435	1.0
58.06599	1.0
60.93378	0.2
61.02916	0.3
65.03935	0.5
67.05508	7.0
68.05030	1.1
69.03417	0.7
69.07072	1.6
70.06596	16.9
71.01347	0.6
71.04654	0.2
71.05000	3.3
71.06940	0.2
71.51389	0.2
72.08162	1.9
73.02908	0.5
74.06072	0.5
79.05484	0.3
79.74548	0.2
81.07064	1.4
82.06571	0.6
82.07026	0.2
83.04984	0.3
83.07360	0.5
84.04498	0.8
84.08149	9.3
85.02910	4.3
85.07664	0.2
85.08481	0.2
86.06091	1.0
86.09721	2.0
87.04469	0.2
87.10085	0.2
89.02380	0.3
91.05485	2.1
96.08147	0.9
97.02893	0.5
97.08922	0.4
98.09698	100.0
99.00791	0.3
99.04525	0.2
99.10017	0.7
101.07136	0.3
102.05547	0.5
109.10168	1.9
110.07175	0.9
110.09681	0.4
111.04422	0.3
111.10492	1.5
111.11714	0.3
112.07590	0.5
112.11252	1.8
113.07134	0.3
119.04951	3.5
119.08675	0.2
120.08108	1.0
121.06498	0.2
126.12806	0.8
127.03923	0.3
129.05464	0.3
129.10231	1.7
130.10440	0.2
133.04990	0.2
136.06134	0.2
136.07585	0.6
137.06015	0.3
138.12776	0.4
140.07091	0.3
140.14346	38.2
141.14668	0.5
141.59209	0.2
144.13858	0.9
145.02876	0.5
145.04997	0.3
147.04413	11.1
155.08269	0.3
158.15413	5.6
159.11310	0.2
165.06976	0.2
169.09764	0.2
173.12933	0.2
175.07549	0.4
177.05408	1.0
197.12794	0.2
201.12585	0.2
212.08400	1.6
212.10274	0.3
213.09094	0.9
215.13953	0.2
225.09634	0.2
237.09128	0.2
256.15414	0.7
319.02609	0.2
319.55234	0.2
366.45648	0.2
450.24866	0.9
450.75412	0.4
468.23965	0.7
517.86926	0.2
539.77661	0.2
542.28784	0.2
589.58331	0.2
614.29926	1.9
661.58441	0.3
661.83118	0.2
760.35242	63.9
761.35492	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	759.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.05502	3.0
57.80668	1.0
57.99133	0.9
60.68970	1.0
61.02923	2.2
67.05492	5.1
68.05024	1.3
69.03429	2.3
69.07063	1.3
70.06599	11.7
70.79219	2.8
71.05019	1.3
72.08141	1.8
73.02862	1.7
73.60185	1.0
79.05491	2.1
81.03421	2.7
81.07043	5.0
83.08614	1.3
84.04489	2.0
84.08145	9.5
85.02888	2.6
86.09705	6.5
91.05472	3.7
93.07046	6.0
94.06565	2.5
95.04982	1.7
95.08588	1.9
97.02887	1.4
98.05999	1.2
98.09683	3.5
103.05464	3.5
105.07005	3.9
106.06544	4.0
107.07336	7.2
107.08566	1.9
108.08121	4.5
109.10158	3.7
110.07140	1.3
118.06532	1.4
119.08588	1.7
120.08108	7.2
121.06510	14.4
121.08841	1.5
122.06001	1.4
122.06831	2.4
122.09673	20.9
122.10517	2.1
127.03926	1.6
129.10236	3.8
132.08060	1.1
135.06779	2.3
136.07570	3.8
140.14323	1.7
147.04419	1.8
148.07561	4.4
149.08351	3.5
150.09149	88.0
166.00079	1.1
166.08644	23.3
172.03963	3.1
184.07620	2.5
186.09119	1.3
192.19585	1.1
202.15808	1.2
204.06589	1.5
212.06999	3.8
222.11588	1.4
223.12337	2.8
230.15408	4.3
231.15746	2.6
235.08647	3.1
235.12300	2.2
236.09370	2.4
237.10291	9.5
238.11057	5.8
239.11781	4.9
240.06592	6.8
242.08130	3.5
244.09734	1.5
246.07597	1.5
247.08737	1.9
248.09502	2.9
249.10271	15.0
249.13925	1.5
250.11009	15.2
250.99234	1.3
251.08005	1.9
251.09158	1.5
251.11812	21.2
252.12373	2.5
253.09752	1.4
253.13306	1.5
261.10233	4.5
262.10995	8.9
263.08163	23.8
263.11786	42.5
264.08942	2.4
264.12488	5.6
265.09787	10.3
265.13318	4.6
267.11224	4.4
268.06042	4.6
269.12830	2.0
271.49527	1.3
277.09750	17.8
277.12888	1.8
278.10376	2.9
279.11285	35.8
279.14340	1.9
280.11929	2.5
281.12863	9.2
282.09949	2.5
283.10776	3.2
283.14572	1.8
287.05380	2.1
288.08582	1.4
289.09662	4.3
290.10522	4.4
291.11230	25.0
292.12076	8.7
293.09628	1.4
293.12784	6.9
295.10791	5.9
295.14246	2.7
296.11502	1.7
297.12357	6.9
300.08777	6.3
303.07870	1.5
303.11322	4.2
304.18958	1.9
305.09033	1.7
307.10916	9.6
309.12271	26.3
310.13058	2.5
311.13837	17.3
317.09088	2.0
317.12579	1.5
318.10001	3.5
319.10690	4.5
321.12213	2.2
323.10385	2.3
323.13602	11.8
324.10907	2.1
325.11853	2.2
325.15353	2.1
328.14548	1.2
333.12399	1.7
335.10248	9.9
336.10947	16.5
337.11810	9.7
339.13358	2.3
342.15897	2.4
349.15469	5.8
355.12891	17.0
356.13660	4.5
356.17596	1.5
357.14682	5.1
363.13318	3.2
367.12885	23.0
368.13623	7.8
369.14517	8.5
370.15277	2.3
372.16879	3.2
377.14935	3.6
379.12927	4.0
386.18704	1.8
387.19333	5.0
389.15128	1.3
391.12933	5.2
400.16440	4.1
405.14420	3.5
414.18204	5.9
415.12683	1.3
421.13983	1.6
428.19678	2.1
430.17624	1.8
431.18564	2.5
432.19226	4.4
433.13876	3.7
437.17075	13.5
444.18976	3.2
446.20575	3.9
453.16754	2.9
460.22290	2.1
461.22916	2.0
465.16769	7.8
467.18655	1.7
473.19766	6.9
474.20349	2.1
476.21680	3.3
484.22156	1.4
487.21078	1.3
490.19882	2.4
492.17529	3.5
504.21280	73.6
505.22083	100.0
506.22906	51.7
507.12418	1.3
507.23199	1.4
522.22272	6.8
528.21094	2.2
544.24078	3.0
570.22339	25.8
594.24939	1.5
602.24963	43.3
603.25226	1.6
611.24835	1.8
625.26050	4.3
629.25787	4.8
643.27338	2.4
661.28790	5.3
758.40607	1.8
759.42029	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	759.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
55.05505	1.4
57.03461	0.7
62.92408	0.8
67.05494	2.1
67.70002	0.7
69.07066	1.3
70.06595	8.3
70.35337	2.7
72.08140	2.0
77.47633	0.6
77.71698	0.7
78.54527	0.7
79.05489	2.3
81.03412	1.6
81.07048	2.6
84.04488	0.8
84.08143	3.4
85.02897	1.9
86.06039	0.9
86.09711	3.6
87.05582	0.8
91.05468	2.4
93.07036	2.0
94.06590	2.0
95.08603	1.1
97.02910	0.8
98.09714	1.1
98.20832	0.8
101.46695	0.8
103.05477	0.8
105.07035	2.0
105.36674	0.7
106.06570	1.4
107.04922	0.8
107.07351	5.5
108.08112	3.1
110.07183	0.9
116.68716	0.8
120.08131	3.5
120.08881	0.8
121.06520	2.3
121.08891	2.0
121.10188	0.9
122.05988	1.3
122.09683	13.5
129.10258	1.1
133.10179	1.1
135.06769	1.6
136.07588	2.8
145.10141	0.8
148.07539	1.7
149.08398	2.3
150.09148	69.4
151.09467	1.7
155.08487	0.7
166.08640	9.1
184.07481	0.9
205.12189	1.0
208.86839	0.7
211.08720	1.1
212.07109	3.1
221.10863	1.7
222.11508	1.9
223.08702	1.3
223.12341	1.7
224.13184	1.1
225.10188	1.3
235.08713	4.2
235.12213	1.4
236.09464	2.3
237.08000	1.1
237.10240	8.1
237.13806	1.4
238.11028	6.3
239.11833	3.2
240.06569	4.4
242.08136	2.2
247.08733	3.4
247.12352	1.3
248.09314	4.2
249.10257	13.3
250.11018	18.3
251.11790	14.9
252.12614	2.0
253.09836	1.3
253.13338	1.3
261.10181	5.1
262.10944	7.7
263.08240	15.7
263.11832	44.7
264.08810	2.0
264.12589	4.8
265.09781	7.1
265.13312	5.5
266.10388	1.3
267.11313	1.7
268.06052	2.2
277.09726	13.4
277.41064	0.7
278.10516	2.8
279.11276	32.7
280.12027	2.1
281.09769	1.2
281.12842	5.8
282.10086	3.2
283.10849	3.1
289.09601	4.6
290.10559	2.2
291.11261	19.8
292.12051	5.6
293.09363	1.8
293.12888	5.2
294.09995	1.3
295.10846	5.6
295.14044	1.3
296.11453	1.2
297.12314	4.3
300.08701	3.1
307.10779	12.6
308.11615	2.7
309.12354	22.7
310.12897	1.4
311.10623	1.3
311.13947	10.9
317.09314	1.4
318.09998	2.1
319.10794	2.4
321.12430	2.3
322.13062	1.4
323.10373	1.9
323.13849	10.7
324.11050	1.1
324.14496	1.0
325.11938	2.2
327.72968	0.8
328.14523	1.4
329.15167	1.0
335.10257	11.8
335.13776	1.3
336.10999	11.0
337.11862	13.7
338.12512	0.9
339.13531	1.1
342.16150	2.3
349.11816	1.0
349.15527	3.1
350.12643	1.5
355.12885	14.2
356.13657	3.9
356.17676	0.9
357.14493	5.4
367.12903	32.8
368.13684	7.7
369.14441	13.1
370.15414	4.8
372.17148	1.6
386.18948	1.3
387.19339	5.9
391.12939	1.0
398.18726	0.8
400.16559	2.4
405.14514	1.3
412.16986	0.9
414.18243	2.7
416.19858	2.0
425.95474	0.8
428.19785	2.1
431.18372	1.8
432.19122	2.9
433.13730	2.1
437.17096	6.9
438.14612	1.8
444.19305	5.0
446.20663	2.1
450.24948	1.0
456.15244	1.7
460.22107	1.0
461.23105	1.0
465.16745	6.9
467.17941	1.6
472.18585	2.2
473.19550	1.2
474.20245	2.7
476.22498	3.8
478.23254	2.1
490.19629	4.2
492.17496	5.3
504.21320	100.0
505.22073	48.1
506.22906	65.9
507.23029	2.8
522.22333	13.3
570.22217	3.1
602.25012	15.9
611.24506	1.0
625.26520	4.8
626.27026	1.1
629.26172	6.3
643.27606	3.6
661.28833	12.6
759.41040	0.9
765.09747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.8
58.06622	0.4
60.08166	5.9
62.99639	0.1
67.05495	0.3
70.06606	0.1
71.06987	0.2
71.07378	3.2
71.38158	0.1
78.94745	0.1
80.97431	0.1
81.07038	0.2
86.09710	30.1
87.10019	0.1
95.08617	0.2
98.98466	3.5
99.40741	0.1
104.10750	2.0
125.00008	21.0
142.39642	0.1
166.02721	0.1
182.92329	0.1
184.07346	100.0
185.07654	0.7
195.01982	0.1
496.33948	0.2
758.56897	3.8
759.56189	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01873	1.2
55.05515	17.3
57.03443	5.9
57.07077	2.6
59.05007	1.2
61.02928	3.6
65.02605	0.6
65.03937	2.4
67.05510	72.3
68.05831	0.6
69.03432	2.8
69.07072	13.5
71.00685	1.5
71.01024	0.6
71.05001	22.5
73.02918	0.7
73.06561	0.7
77.92307	0.7
79.05499	36.8
81.07061	100.0
83.05000	4.2
83.08623	8.1
85.02913	3.2
85.06550	9.7
86.09700	1.7
91.03970	1.4
91.05486	28.1
93.07050	43.8
95.04969	2.7
95.08611	30.5
97.02904	2.0
97.06538	5.0
97.10186	2.4
99.08082	1.3
103.99256	0.8
105.04511	1.3
105.07039	16.7
107.07877	1.3
107.08600	25.2
109.06538	2.2
109.10165	14.8
111.08110	2.3
113.09680	0.7
117.07013	5.6
119.08599	7.3
121.10150	18.5
123.08076	1.2
123.11716	14.9
125.00036	1.5
125.09694	0.9
129.07019	0.8
131.08569	9.6
133.10133	19.9
135.11691	11.2
143.08549	1.2
145.10124	4.3
147.11717	4.7
149.09674	0.9
149.13289	6.9
151.11201	6.8
153.12805	1.0
159.11708	6.8
161.13220	3.0
163.14876	1.5
169.12270	1.4
171.11668	0.8
173.13284	3.6
175.14961	1.2
177.12776	2.4
179.14236	0.8
183.13890	2.4
184.07375	4.1
185.13345	1.0
187.13335	2.2
187.14900	1.6
195.13817	2.1
201.14870	1.0
227.16481	1.2
233.44247	0.6
243.21176	0.8
253.18060	0.9
257.17435	1.9
259.20718	0.9
261.22159	3.8
269.17465	5.3
285.17133	0.8
297.19861	0.6
297.89813	0.6
301.20105	17.0
317.24869	1.2
335.25824	29.5
335.29919	1.4
336.26242	1.0
411.32611	1.3
437.34393	0.9
485.36353	2.7
503.37329	87.0
504.37927	3.0
511.37704	0.8
517.38702	3.4
529.38898	12.9
530.22992	0.7
547.40106	0.8
553.36987	0.7
561.41547	94.7
562.41797	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	758.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01664	0.9
55.01876	8.2
55.05510	18.5
57.03161	0.8
57.03440	14.0
57.07063	1.8
59.04995	2.4
60.07212	0.7
61.02915	4.3
65.03953	2.8
67.05505	60.0
69.03428	2.7
69.06732	1.1
69.07072	16.6
71.01356	1.6
71.04992	5.1
73.02922	1.3
74.09695	1.0
77.03915	1.3
79.05494	44.5
81.02998	0.9
81.03424	12.0
81.07056	51.1
83.01318	1.4
83.04980	20.3
83.08611	11.2
85.02905	8.7
85.06539	3.3
86.09703	5.3
91.03946	1.9
91.05480	27.5
91.61362	0.8
93.07045	52.9
95.04977	8.8
95.08607	42.9
97.02887	5.7
97.06521	7.6
97.10152	3.5
99.04459	2.5
99.08080	2.0
103.05467	1.1
105.04546	1.0
105.07027	17.2
107.04960	7.7
107.08595	31.8
108.40105	0.8
109.02842	0.8
109.06523	3.2
109.10158	20.9
109.10850	0.8
111.04443	22.6
111.08090	8.0
111.11723	2.1
112.58871	0.8
115.05495	1.0
117.07018	11.6
119.08579	19.1
119.09373	1.4
121.06517	4.9
121.10145	37.3
123.08079	3.4
123.11697	5.2
125.00000	3.4
125.05996	2.2
125.09621	2.1
126.29802	0.8
129.07002	3.3
131.08560	13.8
133.10126	8.5
135.08096	3.7
135.11688	25.1
137.09599	2.3
139.11192	4.4
143.08568	1.3
145.06461	1.4
145.10126	23.1
147.08080	2.5
147.11684	6.0
149.05994	1.0
149.09637	4.6
149.13257	5.0
153.09151	0.8
153.12753	16.1
155.08568	2.6
157.10089	1.9
159.08052	0.9
159.11693	6.4
161.13261	3.5
163.11176	32.9
163.14821	1.6
167.10716	1.2
171.11862	1.2
173.09622	6.8
173.13268	4.3
175.14812	1.9
176.27647	0.7
177.16354	1.2
181.12233	15.8
184.07349	21.2
185.11823	1.7
187.14838	2.4
191.10689	17.9
209.11717	17.8
209.13643	1.0
227.12784	21.7
234.61491	0.8
243.21158	3.4
245.13840	11.8
255.15970	0.8
259.20593	0.9
261.22150	15.2
265.14291	2.3
267.15768	1.3
279.23126	1.2
283.15399	49.7
299.23834	1.0
301.16461	69.6
302.16742	1.6
315.23203	0.9
317.24789	3.4
333.24268	1.8
335.25806	100.0
336.26227	3.0
433.31061	1.9
451.32111	4.2
469.32993	3.2
487.34079	1.6
497.31183	1.1
515.37158	0.9
525.35980	7.1
543.36768	39.3
544.37170	1.4
561.37854	98.2
562.38141	3.1
579.39117	1.3
689.97015	1.0
734.32513	0.8
758.49615	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01868	4.3
55.05516	27.1
56.05040	21.1
57.03446	12.7
57.05809	1.9
57.07074	2.1
58.02965	9.2
59.04992	2.4
61.02930	12.7
67.05508	59.8
67.60368	2.0
69.03438	8.5
69.07067	15.0
70.06592	11.7
70.50866	6.0
70.95053	2.0
71.04999	3.3
72.04520	79.1
73.02922	6.4
73.05302	2.4
74.06084	3.1
78.04726	1.9
79.05502	39.0
80.05022	6.2
81.03420	10.8
81.07063	46.0
82.06578	3.8
83.04994	6.8
83.08622	8.5
84.04515	20.2
84.08170	4.7
85.02905	18.1
86.09721	8.7
87.25377	1.9
88.03957	2.1
89.03429	2.0
91.03963	8.9
91.05475	25.8
93.07051	40.3
93.07627	2.7
94.79119	2.2
95.04985	7.8
95.08606	28.2
96.04504	4.8
96.08195	2.3
97.02901	12.2
97.06537	3.7
97.10162	9.9
98.06059	5.3
98.09729	3.9
99.08131	2.0
100.03983	7.3
102.05552	23.8
105.07043	19.8
107.04955	2.9
107.08587	23.7
107.73305	1.8
109.06538	4.9
109.10159	23.6
110.06062	2.3
112.11226	2.2
113.09656	2.0
114.12810	3.6
117.07035	8.3
119.08581	19.6
121.06573	2.9
121.10130	19.4
123.08125	5.4
123.11720	3.7
125.00028	6.0
125.09643	7.0
127.03929	3.8
129.07002	3.4
131.08571	13.9
133.10127	11.3
135.08104	4.2
135.11676	9.6
137.09673	5.5
138.12787	2.5
138.84944	2.0
139.11195	2.9
139.43149	2.3
142.12286	4.6
143.08592	3.5
145.04970	2.9
145.10172	8.5
147.08069	2.2
147.11743	5.8
151.11243	2.6
154.12302	5.6
155.10643	2.3
157.10081	4.5
159.11658	4.7
161.13181	2.1
163.11287	3.1
164.10759	2.7
165.09053	3.0
166.12286	7.5
171.11694	2.9
173.11748	4.5
173.13228	2.9
175.05850	2.0
175.14842	2.0
181.12209	2.4
182.11873	3.4
182.15468	5.6
183.12651	7.2
184.07359	24.9
184.13353	19.0
208.13353	11.5
210.14999	7.7
226.14397	10.2
227.12727	2.1
228.15912	3.2
229.14270	9.3
252.93016	2.5
256.15576	2.8
258.17136	3.7
261.22208	4.5
284.18655	2.6
300.18185	8.4
302.19867	2.7
318.19333	6.7
333.24466	3.2
335.25742	30.8
364.99597	2.3
506.38504	4.8
516.37140	4.6
517.37781	2.8
534.38293	9.9
535.38519	6.2
543.36829	6.3
552.38464	11.3
560.39673	7.4
578.40399	15.2
596.41638	100.0
714.44598	6.1
740.46320	10.7
758.46985	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01873	5.1
55.05275	1.1
55.05518	16.8
57.03439	9.7
57.07066	3.4
61.02915	4.1
65.03941	2.6
67.05510	68.7
69.03419	2.9
69.07073	18.3
69.76074	5.7
71.04980	6.2
73.02916	1.2
79.05498	45.0
81.03413	4.9
81.07065	56.1
83.04989	9.7
83.08622	11.2
85.02905	5.5
85.06535	4.5
86.09694	1.4
87.90881	0.9
91.03934	3.6
91.04922	1.8
91.05489	36.5
93.07051	50.7
95.04994	11.0
95.08617	39.4
95.22147	1.0
97.02911	8.3
97.06543	7.9
97.10155	6.6
99.04465	2.6
99.08080	2.5
103.05448	1.2
105.04501	1.6
105.07039	30.8
107.04958	8.5
107.08601	35.2
109.02872	1.0
109.06539	6.1
109.09480	1.9
109.10162	25.5
111.04441	8.8
111.08059	4.2
113.05999	3.3
113.09663	1.2
115.05454	1.1
117.07037	14.4
119.08587	25.8
121.06498	4.8
121.10153	23.5
123.04456	1.4
123.08049	4.0
123.11698	7.1
125.00022	1.1
125.05994	1.8
125.09621	3.3
128.06187	1.3
129.07016	8.4
131.08577	21.7
133.06438	1.8
133.10156	24.0
135.08076	5.0
135.11702	20.3
137.05875	1.2
137.09599	4.2
137.13266	1.8
139.07480	1.0
139.11182	3.4
141.07001	2.2
142.07841	1.1
143.08560	6.7
145.06461	2.9
145.10133	23.9
147.08047	5.7
147.11717	11.0
149.09625	7.0
149.13248	5.1
151.11183	3.8
153.12787	1.5
155.08521	5.6
156.09369	1.7
157.10132	7.2
159.08067	2.4
159.11678	10.7
161.09624	3.8
161.13264	6.7
163.11223	13.1
163.14830	2.4
165.09177	1.1
165.12801	1.3
167.08554	1.5
169.10124	3.5
171.11668	6.4
173.09644	7.0
173.13240	9.0
175.11160	2.8
175.14847	3.7
177.12727	2.6
181.10126	1.3
181.12245	2.9
183.11719	3.1
184.07265	5.2
185.09697	1.6
185.13292	4.0
187.11215	2.8
187.13239	1.2
187.14819	3.0
189.12788	2.7
191.10640	6.5
193.12289	1.5
195.11716	2.0
197.13284	3.2
199.11296	1.1
199.14769	3.1
203.14246	1.2
209.11697	15.3
209.13377	2.4
211.14832	2.6
213.12813	1.3
213.16454	1.8
223.14812	1.7
227.12708	5.6
227.16409	4.2
229.14314	5.2
241.19426	1.4
243.15851	1.3
243.21077	1.8
245.13638	1.7
253.14333	3.5
255.15845	5.6
257.19080	1.7
259.20438	1.7
261.22137	6.1
267.15930	1.6
271.20560	2.5
273.19168	1.1
273.22086	5.2
277.21628	1.6
283.15421	56.9
285.17099	4.2
289.21542	3.2
291.23035	1.1
297.22037	2.2
299.20004	3.4
301.16464	9.6
301.21616	2.1
313.21588	1.5
315.23279	6.9
315.42123	1.2
317.21094	3.0
317.24597	2.0
329.24658	1.3
333.24316	3.2
335.25839	34.3
345.23923	1.2
363.25183	1.6
373.23776	4.5
389.26767	2.1
391.24850	3.3
415.29596	1.1
423.32516	2.2
433.31125	6.3
435.27118	1.5
451.32059	11.3
469.33157	11.3
487.34372	6.8
507.33969	1.5
515.37109	4.2
525.35797	25.2
533.38391	1.9
543.36847	100.0
544.37073	3.1
561.37885	34.0
562.37939	1.3
586.44385	1.7
705.41730	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01868	9.7
55.05515	28.3
55.05788	2.1
57.03437	21.2
57.07061	3.6
59.04999	2.9
61.02912	4.7
65.03942	4.2
67.05506	95.4
69.03423	2.3
69.06728	2.3
69.07068	24.4
71.01361	2.4
71.04988	7.5
73.02919	3.1
79.05495	65.9
80.84141	1.2
81.03418	18.1
81.07055	79.9
83.04502	1.3
83.04984	20.2
83.08607	15.6
85.02902	9.6
85.06536	4.1
85.65664	1.1
86.09706	4.9
88.23972	1.1
91.03956	1.6
91.05480	44.9
91.42478	1.1
93.07044	78.6
95.04961	14.4
95.08610	57.7
97.02895	10.5
97.06539	12.5
97.10144	7.4
99.04452	4.8
99.08100	3.3
103.05461	1.6
105.04494	3.0
105.07034	32.6
106.07320	1.3
107.04955	14.8
107.08598	47.3
109.02876	1.8
109.06503	6.5
109.10154	34.2
111.04443	26.5
111.08087	12.6
113.06033	1.9
113.09676	1.2
115.05441	1.6
117.07026	19.2
119.08582	30.4
121.06514	8.4
121.10143	38.5
123.04486	1.2
123.08052	6.4
123.11710	7.5
125.00004	4.2
125.05946	1.4
125.09637	6.4
127.03883	1.6
129.06981	6.1
130.07774	2.5
130.31223	1.2
131.08556	24.1
133.06491	3.0
133.10139	20.9
135.08047	5.9
135.11696	36.2
137.09642	5.9
137.13245	1.5
139.11118	2.0
142.07690	1.2
143.08549	5.3
145.06474	2.7
145.10127	33.0
147.08037	4.4
147.11670	10.2
149.09608	7.4
149.13257	9.2
151.11171	3.8
153.12740	16.0
155.08527	4.4
156.27879	1.3
157.10103	4.7
159.11702	11.9
161.09587	2.3
161.13252	7.8
163.09853	2.6
163.11191	35.8
163.14813	4.3
165.12843	1.9
169.10097	2.7
171.11729	4.4
173.09613	11.4
173.11922	1.7
173.13243	7.8
175.11191	1.6
175.14825	2.4
181.12231	21.0
183.11777	2.5
184.07349	13.4
185.13223	2.1
187.11212	1.8
187.13287	1.6
187.14871	3.4
189.11208	2.1
191.10667	21.2
197.13174	1.8
199.14836	1.4
201.16472	1.9
205.15970	1.4
209.11726	30.5
227.12758	28.3
227.16246	1.5
229.14302	3.0
229.25888	1.3
243.21053	6.3
245.13834	2.3
253.00560	1.2
253.14401	1.9
255.15900	2.8
259.20413	3.0
261.19275	2.4
261.22101	18.9
265.14313	2.7
267.15915	1.7
273.22089	2.9
277.21912	1.7
283.15399	75.4
285.16818	1.7
289.21637	2.1
299.23627	2.0
301.16452	66.6
315.23071	4.3
317.24634	3.3
325.22083	1.5
333.24261	2.6
335.25809	99.8
336.26184	3.6
337.27057	1.4
391.24777	1.6
415.29568	1.7
433.31244	7.9
451.32080	9.9
469.33221	7.1
487.33826	3.8
515.37256	3.1
525.35809	19.8
543.36853	100.0
544.37000	4.3
561.37885	67.5
562.38733	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	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.3
55.01880	4.8
55.05513	23.7
56.05041	20.8
57.03440	9.0
57.07069	3.1
58.02966	12.6
58.06600	1.7
61.02926	12.3
65.03939	2.6
67.05506	57.4
68.05022	2.5
69.03427	8.4
69.05799	2.9
69.07069	14.4
69.67226	6.3
69.67639	3.8
70.02910	1.8
70.06593	9.7
71.04996	4.0
72.04517	82.3
73.02915	6.9
74.06069	3.5
79.05495	37.4
80.05023	4.3
81.03416	9.5
81.07056	48.2
82.06593	4.4
83.04984	5.8
83.08624	10.1
84.04506	23.9
84.08170	2.9
85.02907	13.3
86.06047	2.5
86.09735	4.1
89.19147	1.9
91.03970	5.1
91.05472	23.5
93.07045	37.5
94.06562	2.9
95.04974	8.4
95.08604	31.1
96.04513	3.9
96.08137	4.4
96.98840	1.8
97.02890	9.8
97.06569	4.7
97.08894	2.4
97.10179	12.6
98.06078	4.7
100.03998	7.1
102.05542	23.7
103.05487	1.5
105.04508	1.8
105.07024	14.8
105.44074	1.6
106.06626	2.2
107.04968	3.3
107.08582	17.7
109.06546	3.5
109.10158	23.7
110.09678	2.5
110.10448	1.8
111.08103	4.8
114.12824	5.1
117.07043	6.8
119.08589	15.5
121.10148	18.0
123.08116	3.6
123.11678	2.7
125.00032	3.1
125.09647	6.8
126.09083	1.9
129.07043	3.5
131.08543	11.9
133.10147	11.0
134.78975	1.8
135.08069	3.5
135.11739	6.2
136.11214	2.5
137.09703	4.1
138.12796	2.4
140.10625	2.0
142.12292	4.1
143.08589	1.9
145.10117	10.7
147.08038	4.0
147.11726	5.1
149.13304	4.7
151.07552	2.1
154.12305	6.3
156.13890	5.5
157.10207	5.5
159.11723	4.1
163.11211	3.0
164.10722	3.4
165.09099	2.2
166.12299	7.9
169.10039	2.4
171.11667	2.4
173.11845	2.5
173.13248	2.2
180.13857	3.8
182.11845	2.8
182.15408	8.2
183.12541	5.1
184.07338	13.9
184.13353	20.8
195.11697	1.7
199.13121	1.9
208.13347	8.3
210.14896	11.3
226.14346	11.3
227.12782	4.0
228.15976	4.2
229.14314	11.7
256.15494	4.3
257.16302	2.0
258.17142	3.4
261.22311	3.2
267.16110	5.2
269.17633	2.9
282.17108	2.6
283.15558	1.9
284.18686	3.3
300.18045	11.7
307.83664	1.9
318.19247	5.3
333.24368	2.2
335.25757	25.5
351.25089	2.1
412.26947	1.9
473.25107	1.9
477.35583	2.5
525.35742	2.1
534.37878	10.8
535.38715	4.0
543.36694	6.8
552.39124	11.4
560.39581	6.2
578.40973	8.0
596.41571	100.0
597.42053	3.5
668.43494	2.7
714.44305	4.2
740.45636	9.6
758.46924	83.9
759.46771	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	757.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
53.52895	0.2
55.01878	1.2
55.05514	0.3
56.05047	0.4
57.03439	1.1
58.06604	0.2
58.47807	0.1
60.04534	0.3
61.02937	0.8
67.05530	0.3
68.05046	0.5
68.99789	0.8
69.03433	5.5
69.07080	0.5
70.06596	5.1
70.06955	0.3
71.01360	0.3
71.04996	1.3
71.51472	0.3
72.08169	1.1
73.02913	1.2
74.06093	0.3
79.05479	0.2
81.03423	6.0
82.06588	0.2
83.06123	0.2
84.04511	1.3
84.08150	3.9
85.02911	10.1
86.06075	0.9
86.09709	1.9
87.00840	3.5
88.66002	0.2
91.03959	0.5
91.05515	0.5
95.01370	0.2
97.02901	3.2
98.09697	5.7
99.04465	1.9
99.10051	0.6
101.07141	0.3
102.05586	0.2
105.01867	2.1
109.02889	4.3
109.03609	0.3
110.07182	0.5
111.04446	0.2
112.08770	0.3
114.05563	0.2
115.03936	0.4
115.08732	0.2
116.07066	0.2
117.01855	0.9
119.05000	0.3
120.08106	0.5
121.02911	0.2
122.06087	0.2
124.07661	0.2
126.12811	0.2
127.03928	7.2
127.12372	0.3
129.01855	0.6
129.05447	0.3
129.10254	1.5
130.05014	0.3
134.03639	0.3
136.07607	0.6
137.05968	0.4
140.14349	3.0
140.15344	0.3
141.05656	0.2
141.14720	0.3
145.04962	2.6
147.02951	0.4
147.04430	1.0
151.03940	0.4
153.01854	0.2
158.15443	0.3
159.02899	3.2
159.04121	0.3
167.08165	0.3
168.00566	0.3
169.01382	0.7
171.02950	0.2
174.09120	0.2
183.02939	0.4
213.03891	0.3
224.51070	0.2
226.64357	0.2
231.05017	1.1
233.04567	0.2
239.02412	0.2
244.03716	0.3
245.04474	0.4
252.80611	0.2
258.05304	0.2
261.03906	0.9
261.12573	0.2
272.03134	1.8
273.03934	1.0
285.03973	0.2
286.04688	0.2
287.05511	10.1
289.03424	2.9
300.02704	2.1
301.03458	6.9
301.06451	0.2
303.04938	1.1
304.05609	0.4
304.19058	0.9
304.69321	0.4
315.04987	2.0
317.02997	1.4
317.06192	0.3
331.04364	0.8
332.05283	23.6
333.05643	0.6
342.17505	0.2
347.07623	100.0
348.07962	2.0
377.21991	0.4
389.08572	0.5
399.71545	0.2
443.24097	0.3
449.10828	1.5
450.24948	1.4
450.75180	1.8
451.25131	0.5
451.75473	0.2
458.24731	0.2
468.23541	0.2
505.76312	0.2
509.12976	5.8
510.13831	0.2
531.27240	0.3
531.77802	1.1
624.83185	0.3
652.32611	0.2
757.37769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
53.14814	0.1
55.01083	0.1
55.01872	1.1
55.05486	0.2
57.03443	0.7
61.02890	0.6
68.99780	0.7
69.03433	5.0
69.94533	0.4
69.94926	0.2
70.06592	1.6
71.04988	0.8
71.09257	0.1
72.08131	0.2
73.02918	1.1
73.59579	0.1
81.03423	6.3
84.04500	0.2
84.08151	1.2
85.02908	8.6
86.06027	0.2
86.09701	0.8
87.00832	3.9
87.04444	0.2
91.03935	0.3
97.02313	0.2
97.02893	3.4
98.09696	1.5
98.21469	0.2
99.03872	0.1
99.04460	2.1
105.01208	0.1
105.01871	2.2
109.02883	5.0
110.07121	0.2
117.01865	0.8
120.08108	0.3
121.02843	0.2
127.03921	6.8
129.01846	0.6
129.10201	0.4
134.03603	0.3
136.07568	0.2
137.05939	0.2
140.14308	0.6
141.01746	0.2
145.03925	0.2
145.04962	2.7
147.02827	0.4
147.04364	0.4
148.72200	0.1
151.03865	0.4
158.15370	0.1
159.02896	2.9
162.03098	0.2
168.00551	0.2
169.01334	0.9
169.04979	0.2
183.02861	0.4
189.03952	0.1
195.02931	0.3
201.12344	0.1
213.03917	0.2
231.04961	1.2
243.02966	0.1
244.03694	0.5
245.04437	0.5
258.05280	0.2
259.06024	0.2
261.03882	0.8
265.90311	0.1
272.03168	1.6
273.03955	1.0
286.04681	0.2
287.05527	0.7
289.03464	2.8
300.02625	2.0
301.03433	6.8
302.03763	0.1
303.04996	0.7
304.05847	0.2
315.04993	1.8
316.05814	0.2
317.02899	1.6
331.04477	0.7
332.05258	25.0
333.05664	0.4
347.07605	100.0
348.07959	2.1
389.08575	0.3
395.83044	0.1
455.09775	0.2
465.74551	0.1
509.12924	6.5
510.13138	0.2
757.41718	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	0.4
56.05019	0.8
58.75945	0.3
61.02890	0.4
69.03410	0.7
69.07028	0.3
69.15625	1.9
69.16056	1.2
70.06598	4.6
72.08171	1.6
74.06059	0.5
79.05446	0.4
81.03403	0.3
81.07002	0.5
84.04453	1.2
84.08144	2.7
85.02859	1.0
86.09715	3.1
91.03896	0.3
91.05431	0.8
93.06995	0.6
94.06490	1.1
96.08069	1.2
98.06006	0.5
98.09692	1.8
102.05494	0.4
108.08073	0.7
109.10158	0.5
110.07141	0.6
110.09634	1.3
120.08096	2.7
129.10185	1.3
131.07265	0.9
136.07520	1.2
138.09149	3.9
140.14307	0.7
143.07797	0.3
146.09639	2.4
147.04373	0.6
150.09087	0.5
166.08669	2.7
167.36545	0.3
174.09132	2.3
192.10196	0.7
196.09906	0.7
199.08722	0.6
201.12242	0.5
211.08481	0.6
213.06584	1.5
220.09702	4.8
223.08603	1.8
224.09407	0.6
225.10214	2.1
226.07394	0.4
227.08139	1.7
228.08881	0.6
234.11159	0.8
235.08641	0.5
237.06519	1.0
237.10246	0.7
238.10909	0.4
239.08087	1.4
239.11700	0.8
240.08871	0.4
241.06084	0.5
241.09714	0.7
243.11349	1.8
251.08188	5.5
252.08934	2.9
253.09776	6.2
254.10440	0.6
255.07726	0.6
263.08154	1.2
265.09674	1.4
266.10382	0.7
267.07666	1.7
267.11255	7.6
268.11935	0.6
269.09113	1.3
269.12195	0.4
271.10748	0.9
279.07672	15.0
279.10876	0.7
280.08395	4.0
281.09201	15.2
282.09811	1.6
283.10498	0.5
285.12299	0.7
287.05460	0.6
293.09140	1.1
294.09979	1.4
295.07690	0.6
295.10770	13.7
296.11606	2.5
297.08594	1.6
297.12219	0.9
298.09418	0.5
299.10251	0.7
307.07117	2.8
308.07950	0.9
309.08725	8.3
310.09482	2.4
311.06549	0.8
311.10175	0.7
312.10883	0.5
313.11798	1.1
315.06259	0.6
315.09750	10.4
321.08670	0.9
322.09473	0.8
323.10245	2.7
324.11142	0.9
325.08118	1.7
325.11819	4.8
326.08926	1.0
327.09625	0.4
327.13223	0.4
328.10419	0.6
335.06506	1.4
339.09784	2.0
340.10587	0.7
341.11328	18.6
342.11517	0.5
343.12943	0.8
344.13617	0.5
347.12314	2.1
350.09036	0.7
351.09695	2.0
353.07596	1.9
353.11496	0.4
355.13031	1.6
367.09180	0.5
368.10046	35.3
369.10818	63.0
370.11267	1.3
371.12561	0.9
381.10837	1.0
383.12402	0.5
387.11887	7.7
399.11588	0.6
400.12643	6.9
401.13455	33.0
402.14075	1.2
403.15579	0.4
474.16565	0.5
476.14499	1.1
478.19623	0.4
488.18182	0.9
494.15994	0.7
502.16278	1.3
506.19110	1.7
508.17218	1.2
516.17279	0.4
526.18359	1.6
534.18805	7.5
536.20398	0.4
538.21808	1.0
552.19647	0.7
566.21356	100.0
567.21796	3.9
568.22864	2.1
598.24139	3.3
691.25555	0.5
784.65833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
55.05509	2.8
56.05038	1.3
57.03428	1.8
58.06593	1.2
61.02924	2.6
67.05508	3.5
68.05026	1.3
69.03422	2.3
69.07069	2.0
70.06602	19.0
71.05000	1.3
71.06923	0.8
71.51765	1.0
72.08165	6.5
73.02903	1.0
74.06049	1.3
76.47910	0.8
79.05500	2.6
80.05016	1.1
81.03405	1.5
81.07066	4.1
83.78519	0.8
84.04512	3.8
84.08149	10.1
85.02923	5.1
86.06078	1.1
86.09716	12.4
86.48447	0.9
87.04449	1.2
87.05619	1.1
88.04021	0.8
91.03959	1.3
91.05486	2.8
93.05789	2.1
93.07071	3.8
94.06570	2.8
95.05003	1.3
95.08604	2.1
96.08189	1.0
97.02907	1.5
97.06609	1.1
98.09713	7.1
101.07112	1.1
105.07042	2.3
106.06602	1.5
107.08572	1.5
108.08131	16.5
109.02911	1.2
109.10146	1.7
110.06050	1.6
110.07187	3.3
112.08787	1.6
113.07170	1.1
115.08687	1.1
118.06600	1.2
119.04939	1.0
119.08556	1.3
120.08118	7.4
120.84999	0.9
121.06518	1.9
121.10130	1.3
122.06043	2.1
122.09700	1.3
127.03974	2.0
129.10249	6.8
130.05020	0.9
130.06514	1.4
131.07338	1.8
131.08585	1.4
132.08081	3.2
133.10155	1.1
134.06061	1.2
134.09697	0.8
135.11697	1.1
136.07594	15.8
138.09157	2.6
140.14362	3.6
141.50713	0.8
143.08475	0.9
144.08090	5.9
145.08893	1.0
146.06070	2.1
146.09665	3.8
147.04442	2.0
147.06769	3.3
148.07562	2.5
150.09163	1.7
152.07045	4.4
155.08249	0.9
157.10071	1.0
158.06021	2.2
158.09650	3.2
159.09206	1.4
160.07574	2.9
162.09157	2.1
164.07076	2.6
166.08659	6.9
166.09891	1.1
172.07607	5.2
174.05460	1.1
174.09184	3.4
176.10748	2.5
179.83485	1.0
180.10297	1.6
185.10722	1.7
186.05553	1.0
186.09135	2.2
187.06291	2.3
187.08687	3.1
188.07056	1.7
190.08708	1.5
192.10193	1.6
194.08179	2.7
196.09799	2.4
198.07779	1.1
199.08652	3.0
201.10269	3.3
202.05008	2.5
202.08643	3.4
204.10225	4.0
206.08087	1.5
209.10727	2.1
211.08713	1.3
213.10251	3.1
214.10916	1.2
215.11876	1.6
218.08131	2.8
219.11285	1.8
220.09761	1.3
222.11241	1.3
224.09447	1.2
225.10237	2.8
227.08211	1.2
227.11858	1.9
229.09680	2.4
230.08099	1.1
231.11430	1.6
234.11333	2.1
235.08621	1.6
237.10173	2.1
238.04803	1.0
239.11844	1.3
241.09721	4.6
243.11354	5.5
246.07796	1.8
247.10687	1.1
248.09203	11.4
251.07903	1.2
253.09715	4.1
254.10445	1.2
255.11339	2.8
257.09277	2.1
258.07416	1.1
259.10831	7.2
260.65833	0.9
261.06400	4.3
262.07135	3.5
262.10855	0.9
263.07990	4.2
265.09705	3.2
267.11356	2.5
269.09247	2.4
269.12967	1.4
271.10782	1.8
273.12366	2.1
274.13232	1.2
276.08685	22.3
276.11670	1.1
279.07486	3.1
280.08560	1.2
281.09235	2.8
283.10864	3.9
285.09076	1.6
285.12338	4.5
287.05612	2.3
287.10321	3.1
287.13846	2.0
288.08585	1.2
290.10138	1.6
293.09247	3.8
295.10706	3.6
297.08698	1.2
297.12317	1.7
299.10336	1.8
301.08255	1.1
301.11606	1.5
302.12708	1.5
303.10001	1.3
303.13342	7.7
306.09747	2.0
308.11398	1.1
309.08798	1.8
311.10251	7.6
313.11899	2.8
314.12912	1.5
315.10086	1.7
315.13388	7.8
316.08319	4.5
317.11597	1.2
323.10303	1.6
325.11719	2.4
327.13522	1.5
328.14490	1.3
330.16232	1.3
331.09348	2.4
333.10672	1.3
337.12076	1.3
339.09818	8.1
341.11423	3.1
343.13156	2.8
347.07599	3.5
353.11191	1.9
355.12943	2.1
356.13840	2.1
357.10876	2.1
358.15543	1.4
369.10889	1.7
371.12488	5.5
372.13422	1.7
376.16370	1.7
381.10736	2.7
384.13544	1.9
385.10236	1.4
386.14960	3.4
388.16431	1.8
400.12457	1.7
400.17050	1.4
401.13553	1.7
402.14127	1.3
404.16409	1.2
413.13428	1.8
414.14584	1.5
415.15317	1.0
416.15643	1.0
427.15558	1.0
428.16321	2.0
430.17697	1.1
432.15170	1.8
442.13770	1.2
444.15308	1.4
446.17157	2.9
460.19208	1.5
474.16559	3.5
476.18246	1.2
478.19769	2.9
488.18027	3.4
490.19937	1.2
491.16473	1.3
502.16098	2.8
502.85458	1.1
504.17657	1.9
506.19443	10.8
516.17529	2.4
534.18842	27.5
535.18665	1.3
538.21857	2.1
552.19446	3.7
566.21405	100.0
567.21893	4.4
573.23535	1.7
575.35284	1.1
584.22717	5.8
595.21417	1.3
598.24005	100.0
599.23926	3.5
613.22797	2.1
623.20831	3.3
641.22589	23.7
642.22589	1.1
645.25366	3.5
655.23792	3.9
673.25073	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	753.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
56.05037	0.6
57.03419	0.2
58.06606	0.5
59.74104	0.1
60.04509	0.2
61.02914	0.1
65.03939	0.2
67.05499	1.7
68.05026	0.7
69.03426	0.2
69.07054	0.4
69.15861	0.7
69.16281	0.3
70.02953	0.1
70.06592	12.8
71.04989	0.4
71.06908	0.2
72.08160	0.8
73.02921	0.2
73.05059	0.1
74.06071	0.5
79.05491	0.2
81.03431	0.1
81.07057	0.4
82.06582	0.2
83.06121	0.1
83.07386	0.3
83.08614	0.1
84.04512	0.7
84.08144	4.0
85.02899	1.0
85.08475	0.3
85.43551	0.1
86.06042	0.3
86.09705	1.7
87.05584	0.2
87.10042	0.1
88.03989	0.2
91.05486	0.8
94.06570	0.1
96.08133	0.8
97.02879	0.2
97.08945	0.1
98.09692	100.0
99.09428	0.1
99.10017	1.0
101.07166	0.2
102.05540	0.2
103.05459	0.2
105.07054	0.1
109.10155	0.6
110.06024	0.1
110.07166	0.7
110.07629	0.1
110.09695	0.2
111.09261	0.2
111.10483	0.6
112.08750	0.2
112.11234	0.7
113.07115	0.1
115.08698	0.1
116.07104	0.1
119.04947	1.7
119.08232	0.1
120.08100	1.7
121.06521	0.2
121.08430	0.2
124.07590	0.1
125.07158	0.1
126.12825	0.1
127.03962	0.1
129.05435	0.1
129.10237	1.2
133.05035	0.1
136.07599	0.7
136.08513	0.1
138.06723	0.1
138.12787	0.1
140.14340	71.9
141.10300	0.1
141.14680	0.8
143.11818	0.1
147.04410	7.9
148.04796	0.1
158.15398	2.5
158.16603	0.2
159.07944	0.1
159.09148	0.1
169.13377	0.2
171.11371	0.2
183.14893	0.1
196.63213	0.1
207.11288	0.1
212.08447	0.1
213.09016	0.1
226.14294	0.2
227.10188	0.1
235.10909	0.1
242.41559	0.1
275.09354	0.1
279.16989	0.1
287.05716	0.1
304.19073	3.7
413.68033	0.1
421.83951	0.1
450.24875	4.7
450.75266	0.2
451.25223	0.3
468.24292	0.1
532.66467	0.1
596.28534	1.7
614.29602	1.0
639.08612	0.1
741.72668	0.1
746.10095	0.1
753.43219	27.4
754.44006	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.24
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59401	0.1
53.03937	0.4
53.17729	0.1
55.01882	0.2
55.05514	0.8
56.05038	3.7
57.03431	0.4
60.04539	0.2
67.05502	0.5
68.05033	0.5
69.03440	0.9
70.06594	1.6
70.64594	0.4
71.04977	0.2
71.06934	0.1
72.08106	0.2
73.02917	0.4
74.06090	0.2
79.05477	0.1
81.03426	1.2
82.06581	1.2
83.04981	0.3
84.04513	0.4
84.08147	100.0
85.02907	1.3
85.08466	0.7
86.06066	0.8
86.09718	0.7
91.05502	0.2
94.06623	0.1
96.08143	0.4
97.02897	1.4
98.09705	0.6
99.04472	0.5
103.89741	0.1
107.04981	0.2
109.02896	1.4
110.07199	0.3
111.04449	0.3
115.03960	0.3
119.04938	0.2
120.08097	0.2
121.02886	0.3
124.07595	2.7
124.08494	0.2
126.09160	1.6
127.03922	1.2
129.10260	0.7
130.10558	0.1
133.04961	0.3
136.07594	0.4
137.02359	0.5
137.06056	0.2
142.08644	1.4
144.10207	10.8
145.05013	0.4
147.04437	0.6
151.48248	0.1
153.01857	0.6
154.65862	0.1
165.01787	0.3
177.05415	0.2
187.06020	0.3
201.05536	0.3
214.37578	0.1
228.12257	0.2
229.04971	0.6
246.13524	0.2
247.06136	0.2
252.12282	0.7
257.04535	0.5
270.13364	3.6
288.14420	15.3
289.14819	0.3
303.05002	17.8
304.05423	0.4
388.01678	0.1
423.38196	0.2
465.10477	0.7
529.67444	0.2
590.18658	2.3
593.68109	0.2
600.51660	0.2
659.15216	0.2
666.38538	0.2
752.23932	24.0
753.24207	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.7
55.01847	1.9
55.05502	3.3
57.03443	1.8
61.02917	1.5
65.03947	1.6
67.05508	7.2
68.99787	3.4
69.03439	2.5
70.06597	7.8
70.52022	2.4
70.52368	3.0
72.08141	2.2
79.05504	6.4
81.03418	4.2
81.07047	6.0
84.04526	1.8
84.08145	5.2
85.02898	3.0
86.09729	1.9
91.05477	7.9
93.07043	5.7
95.04968	2.5
95.08604	3.6
97.02905	2.0
98.09721	1.5
103.05492	3.5
103.20345	1.6
104.06274	1.7
105.07032	28.5
107.04962	27.7
107.08586	2.8
109.06524	1.7
109.10158	3.5
110.03672	25.8
110.07218	1.7
115.05427	2.4
117.07048	2.2
119.04951	8.1
119.08636	2.0
121.02871	4.9
121.06522	6.2
121.10146	2.7
123.04429	14.3
127.03954	1.8
129.07056	1.9
131.04935	8.9
132.05739	5.2
133.06493	21.4
133.10141	2.5
133.27028	1.5
134.07249	2.2
135.04411	30.9
137.02368	12.6
138.12766	1.5
145.06534	4.4
145.10106	2.1
147.04417	21.5
147.08040	3.5
148.05219	9.8
149.05991	18.9
150.06749	1.6
151.07570	5.1
153.01860	6.4
158.44815	1.4
161.02417	4.4
161.05981	5.2
163.03954	6.7
165.01884	4.8
165.05573	5.7
166.06299	6.0
171.04483	1.8
173.06026	4.6
173.11720	1.5
173.43501	1.3
175.07655	2.4
176.08435	1.8
185.05984	3.2
187.46185	1.4
191.03401	28.2
191.05075	2.1
227.06981	1.5
237.09135	7.4
241.05046	3.5
242.09395	2.7
249.05678	1.6
251.07005	1.7
255.10156	3.9
257.04440	7.2
258.05286	3.6
265.08734	5.1
267.06540	1.9
268.11078	2.0
269.04562	2.0
279.10373	4.1
280.10898	11.2
281.11499	1.6
283.06168	3.8
285.07587	3.8
286.04819	6.3
287.05502	50.8
295.06149	2.7
297.04187	1.5
297.07706	3.9
297.11157	2.5
298.12045	4.2
299.05505	35.5
299.12610	3.6
300.06256	3.2
311.05554	18.7
313.07150	2.8
316.13028	1.7
323.05463	1.8
324.06403	1.7
325.07062	25.9
347.09286	2.3
349.07022	2.5
359.09406	2.0
367.08212	1.9
375.08618	5.0
389.10388	10.2
390.07382	2.4
391.08032	17.2
403.08334	6.6
417.09991	2.0
418.10495	15.4
419.11258	100.0
420.11429	2.9
436.11865	5.4
437.12137	10.4
443.11459	8.6
451.10522	6.6
455.11099	2.0
459.10950	1.9
473.12469	1.8
553.14905	5.3
565.14978	2.1
583.15942	38.0
601.17133	19.2
621.17096	2.8
685.20868	3.1
697.20337	4.0
703.21484	1.6
715.21594	25.9
733.22913	10.9
751.23865	73.9
752.23895	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	749.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.3
53.03944	0.7
55.01879	0.4
55.05507	1.4
57.03447	2.7
57.23177	0.3
61.02928	6.5
65.03925	0.5
67.05175	0.6
67.05508	7.0
69.03433	3.3
69.07066	1.8
70.06598	0.9
71.01353	0.9
71.04988	3.0
71.08609	0.5
71.16688	0.8
73.02921	4.8
79.05499	4.6
81.03415	1.7
81.07058	5.9
83.04981	0.6
83.08630	0.5
85.02907	5.5
85.03384	0.5
87.04475	0.7
91.03967	4.3
91.05482	2.8
91.74404	0.3
93.07051	5.2
95.04991	0.6
95.08592	3.8
97.02895	5.8
99.04456	1.3
101.02379	2.5
105.07042	1.2
107.08598	2.6
109.02871	0.9
109.10155	3.5
115.03959	0.4
117.07027	0.6
119.08601	2.1
121.06500	0.5
121.10140	1.7
123.11721	0.5
127.03941	1.7
131.08609	1.0
133.10146	1.1
135.11703	1.6
137.09641	1.2
145.04994	0.6
145.10144	1.1
149.13300	0.5
159.32329	0.3
180.38326	0.4
184.07439	0.6
185.04219	0.8
203.05309	0.7
210.89011	0.4
229.14450	0.4
243.08412	2.5
253.14063	2.3
266.98441	0.3
335.25897	1.3
349.18167	0.4
352.34738	0.4
439.19296	0.6
454.70642	0.4
458.50748	0.4
469.20224	0.4
471.22037	4.0
519.29291	8.0
749.44440	100.0
750.44745	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	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26794	0.6
55.01891	0.6
55.05508	1.7
57.03437	1.8
60.08139	0.5
61.02923	4.7
63.13120	0.6
67.05505	5.0
69.03442	2.8
69.07077	1.3
70.06609	1.2
71.52435	0.8
72.73428	0.5
73.02927	3.8
79.05492	4.3
79.19273	0.5
81.03426	3.5
81.07053	5.0
83.08632	1.8
85.02911	6.2
87.04480	0.8
89.06042	1.1
91.03960	3.0
91.05482	3.8
93.07050	4.3
95.04989	2.1
95.08616	4.2
97.02898	4.0
97.06529	0.5
101.02383	1.8
103.03957	0.7
105.07055	2.4
107.08604	1.8
109.02908	1.1
109.06506	0.9
109.10153	0.9
113.06011	0.5
115.03960	0.7
117.07012	0.6
119.08617	1.7
121.10169	2.1
127.03938	1.4
129.07082	0.6
131.08607	1.9
133.10162	1.5
147.11720	1.3
157.10167	0.7
175.11272	0.6
184.07390	0.6
193.12349	1.6
198.27466	0.7
211.13321	0.9
232.95229	0.6
243.08434	1.4
250.09663	0.6
251.12587	1.2
335.26010	1.3
469.20422	7.2
519.29352	4.1
747.42926	100.0
748.43146	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	747.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01863	0.6
55.05502	2.5
57.03437	2.0
57.07082	1.8
58.21566	0.4
61.02924	4.8
64.43600	0.4
67.05509	6.2
69.03426	3.1
69.07067	2.8
69.24821	0.6
69.25225	3.6
71.08636	1.6
73.02930	3.2
73.06568	0.6
79.05504	2.9
79.20013	0.4
81.03425	2.0
81.07060	6.7
83.08631	2.1
85.02911	4.0
85.10189	0.8
86.09725	1.3
87.04485	1.3
89.06035	5.6
91.03959	3.0
91.05501	1.7
93.07042	2.9
95.05002	0.8
95.08610	5.2
97.02882	4.6
97.06521	0.5
97.10165	0.7
99.04492	0.6
101.02399	1.5
103.04004	0.4
105.07054	2.1
106.28040	0.5
107.08617	1.5
109.02898	0.6
109.10151	2.2
119.08614	2.1
121.10179	1.2
123.11747	1.0
125.00036	0.9
127.03954	1.7
133.08614	3.0
133.10121	1.2
135.11717	2.1
145.10146	1.4
147.11729	0.9
163.11252	2.0
177.11195	1.4
184.07312	3.9
185.04224	0.6
219.01270	0.5
227.12869	1.6
243.08438	2.5
249.10989	12.2
249.13399	0.8
303.78558	0.5
305.13776	1.0
307.19260	0.6
335.26004	0.6
351.11813	0.5
467.18799	4.6
514.22369	0.6
521.30841	7.3
550.41589	0.7
567.40900	0.6
747.42889	100.0
748.43097	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	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05510	2.0
57.03436	2.3
57.07077	2.1
57.24859	0.5
61.02931	5.1
61.21717	0.5
67.05508	6.9
69.03430	2.7
69.07078	1.4
70.06601	1.3
71.08637	1.7
71.29305	0.5
71.52493	0.8
73.02915	3.4
73.06673	0.6
73.35795	0.5
79.05499	4.1
79.36346	0.5
81.03404	2.8
81.07067	5.8
83.08629	1.0
85.02897	4.6
85.10167	0.7
87.04473	0.6
89.06040	2.2
90.06400	0.7
91.03957	4.1
91.05486	3.6
93.07037	4.9
95.04990	1.6
95.08614	4.1
97.02895	4.1
99.04470	0.8
101.02419	1.6
103.05491	1.2
105.07051	2.1
107.08614	2.2
109.10163	1.2
119.08615	1.6
121.06506	4.1
121.10168	2.0
123.11747	0.9
127.03938	1.3
131.08568	1.6
133.08638	1.2
133.10110	0.6
135.11722	1.1
147.11717	1.3
163.11229	0.6
177.11281	1.2
185.04221	0.7
193.12251	1.6
242.08374	0.6
243.08511	1.7
251.12628	4.1
272.20135	1.3
273.20386	0.8
335.25729	1.4
469.20401	4.4
519.29291	6.1
621.88934	0.7
746.53357	1.3
747.42749	100.0
747.53619	5.1
748.43262	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	746.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.2
55.01873	0.3
55.05510	1.3
56.05031	1.1
56.39318	0.1
57.03426	0.8
57.05829	0.1
58.06600	0.8
58.06841	0.1
60.04517	0.3
60.05632	0.2
61.02924	0.4
65.03943	0.5
67.05505	6.5
68.05029	0.8
69.03429	0.7
69.07071	1.1
69.36209	0.6
69.36629	0.4
70.02931	0.3
70.06593	16.1
71.01357	3.4
71.04995	2.6
71.06945	0.2
72.08155	1.3
73.02906	0.4
74.06087	0.2
75.04496	0.1
79.05495	0.4
81.03385	0.3
81.07051	1.2
82.06593	0.4
83.06095	0.2
83.07355	0.3
83.08619	0.2
84.04496	0.7
84.08146	16.2
85.02908	3.5
85.08501	0.2
85.62383	0.1
85.78607	0.1
86.06064	0.6
86.09716	2.0
87.04466	0.2
87.05567	0.2
87.10036	0.2
89.02394	4.5
89.03912	0.3
91.03954	0.2
91.05483	1.4
94.06612	0.1
95.04957	0.2
96.08127	1.1
97.02905	0.2
97.08922	0.4
98.09694	100.0
99.00819	1.2
99.10026	1.0
101.07144	0.2
102.05507	0.2
105.07072	0.2
107.04960	0.5
109.02872	0.1
109.10168	2.0
110.07156	0.6
110.09702	0.3
111.04438	0.2
111.10454	1.1
112.08746	0.4
112.11219	1.2
113.07066	0.1
115.03977	0.2
115.08702	0.2
117.03371	0.4
119.04942	3.1
120.08093	0.6
121.06483	0.3
126.12793	6.0
127.03973	0.3
129.05499	0.4
129.10228	1.5
130.06540	0.1
130.10583	0.2
130.48445	0.1
133.05003	0.2
135.04427	0.5
136.06213	0.2
136.07582	0.8
138.06589	0.2
138.12790	0.2
140.14340	41.6
141.14680	0.6
144.13812	1.2
145.02838	0.8
147.04408	17.4
148.04692	0.4
155.08281	0.1
158.15407	10.4
158.97694	0.2
163.03900	2.5
173.09163	0.2
177.05458	0.9
181.06358	0.1
183.07947	0.2
187.10785	0.3
192.67024	0.2
201.05679	0.2
201.12222	0.2
207.11327	0.2
208.71640	0.1
211.07602	0.3
212.08308	0.2
215.01828	0.2
224.12894	0.2
226.15172	0.2
228.07848	1.8
229.08536	0.7
235.07646	0.3
239.11461	0.1
242.09357	0.5
263.07001	0.3
300.15479	0.2
304.19055	0.9
372.16525	0.2
377.21677	0.2
446.62509	0.1
450.24921	2.5
450.75400	0.4
451.25217	0.3
464.58502	0.1
466.24774	0.3
484.23532	0.4
584.29425	0.2
589.30194	0.2
600.24078	0.7
630.29230	1.6
661.58966	0.2
746.30145	69.0
747.30444	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01866	1.2
55.05508	1.1
57.03440	0.8
59.92140	0.3
65.03934	0.9
67.05496	2.2
69.03432	3.3
69.07072	2.3
70.06591	4.4
71.04996	2.2
72.08150	1.2
79.05489	3.9
81.03420	8.1
81.07062	6.7
83.04989	0.8
84.04465	0.3
84.08143	2.9
85.02905	1.5
85.06525	1.4
86.06082	0.4
86.09716	2.9
91.05480	7.7
93.07047	10.9
95.05009	1.6
95.08619	1.8
97.02895	1.1
97.06535	2.6
98.09692	0.9
99.04455	4.7
105.07040	8.3
107.04999	0.5
107.08598	13.5
109.02888	9.4
109.03589	0.3
109.06528	2.6
109.10140	0.5
110.07165	0.7
111.04430	0.8
111.08076	1.5
113.05991	1.1
117.07024	1.5
119.04942	14.4
119.08580	3.3
120.08109	0.5
121.06499	5.2
121.10146	12.9
123.08069	1.2
125.05950	0.4
127.03926	10.2
127.07547	1.0
129.10266	1.2
130.07800	0.4
131.08577	0.8
135.08076	2.0
135.11714	4.6
136.07584	0.4
137.09590	0.5
139.07532	1.1
139.11198	1.1
145.09146	0.3
145.10126	12.1
147.04411	100.0
147.11671	0.8
148.04752	0.9
149.06004	0.8
149.09618	4.3
151.07565	1.1
161.09453	0.6
163.11182	27.7
165.05475	0.4
165.12807	0.4
167.10684	6.8
169.08600	6.6
173.09615	2.7
181.12225	5.4
185.11760	1.9
191.10669	17.9
208.10922	0.4
209.11720	17.3
227.12784	31.7
228.13084	0.5
245.13872	1.3
269.13855	6.2
271.13354	1.1
289.14319	2.2
299.12759	1.2
317.13931	2.9
323.07596	5.9
335.14835	4.8
353.15942	19.5
354.16467	0.7
371.16998	10.2
389.17999	2.3
407.90729	0.3
416.64600	0.4
419.32736	0.4
517.20770	0.4
535.21637	1.0
711.25000	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01861	0.4
55.05513	2.1
57.03448	2.0
61.02929	4.4
63.43725	0.2
65.03947	0.4
67.05509	5.7
68.05827	0.3
69.03436	2.6
69.07073	1.3
69.22339	0.6
69.22757	1.4
71.01360	0.3
71.04991	0.5
73.02924	3.6
79.05500	4.6
80.94958	0.2
81.03428	1.2
81.07065	5.3
82.07377	0.3
83.04984	0.7
83.08638	0.7
85.02916	4.8
85.06544	0.3
87.04487	0.5
87.88083	0.2
89.06036	0.2
91.03963	2.7
91.05498	2.3
91.13640	0.2
93.07050	4.8
94.07333	0.2
95.04994	0.8
95.08609	4.0
97.02904	4.2
97.06571	0.4
99.04472	0.8
101.02419	1.3
103.03913	0.2
105.07024	1.4
107.05012	0.3
107.08601	2.6
108.09857	0.2
109.02898	0.8
109.06535	0.3
109.10165	1.6
111.08082	0.3
115.03913	0.3
117.07043	1.0
119.08604	1.4
121.06578	0.3
121.10166	2.0
123.11739	0.4
127.03944	1.5
131.08575	1.0
133.10167	1.0
135.11691	2.4
145.10201	1.2
147.11728	0.5
149.13307	0.3
152.87308	0.2
159.11710	0.3
163.11195	2.1
181.12086	0.2
184.07420	0.7
185.04288	0.5
203.05359	0.3
219.10030	0.5
227.12802	1.3
231.52953	0.2
243.08476	1.9
244.16487	0.3
249.10991	11.9
259.07983	0.4
261.22174	0.5
287.18661	0.3
305.13699	0.9
335.25687	1.1
336.26193	0.5
373.67294	0.2
467.18890	4.8
467.25302	0.3
468.19690	0.2
504.37793	0.8
519.21912	0.5
519.29401	7.7
520.29407	0.3
530.39423	0.6
548.39899	0.8
583.36456	0.6
732.31061	0.2
745.41351	100.0
746.41608	4.9
746.54492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
53.56239	0.2
54.03577	0.2
55.01868	0.3
55.05498	1.2
57.03447	1.5
57.07064	0.2
58.22356	0.2
61.02930	3.6
65.03950	0.2
67.05508	5.3
69.03427	2.1
69.07068	1.2
69.15436	0.5
69.15839	1.7
71.04980	0.7
73.02924	2.7
79.05495	3.8
81.03429	1.1
81.07059	4.5
83.04977	0.8
83.08614	0.9
85.02908	3.7
87.04480	0.4
91.03958	1.7
91.05480	2.2
93.07046	5.1
94.07410	0.2
95.04970	0.5
95.08609	4.3
96.08965	0.3
97.02893	2.7
97.06526	0.4
97.73824	0.2
99.04453	0.9
101.02384	1.9
101.66695	0.2
103.03978	0.2
105.07038	1.7
107.04946	0.4
107.08598	2.7
108.23389	0.2
109.02890	0.6
109.06525	0.3
109.10157	1.3
111.08109	0.3
112.96468	0.2
117.07021	0.9
119.08575	1.7
121.06489	0.3
121.10129	1.8
123.11748	0.3
127.03101	0.2
127.03894	1.1
131.08620	0.5
133.10147	0.8
135.08171	0.2
135.11688	3.5
145.10127	2.2
147.11688	0.5
149.09589	0.2
149.13281	0.6
153.12735	0.2
159.11751	0.3
161.13280	0.2
163.11185	3.8
181.12294	0.9
184.07324	0.3
185.04242	0.6
198.00046	0.3
203.05356	0.4
218.53029	0.2
219.10025	0.7
227.12793	2.9
243.08392	2.3
249.10983	8.4
259.08047	0.2
305.13596	2.3
316.75357	0.2
335.25897	0.7
336.26331	0.5
337.26889	0.3
354.44839	0.2
439.19595	0.3
467.18942	11.4
519.29309	5.1
519.37054	0.3
530.39044	0.5
546.38800	0.3
547.38806	0.4
548.39520	1.2
583.36609	0.7
745.41290	100.0
746.41644	4.7
746.54602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01865	1.2
55.05513	15.3
57.03440	7.5
57.07079	1.7
59.04997	2.7
61.02929	3.2
65.03947	2.1
67.05507	100.0
68.05835	1.0
69.03440	1.8
69.07070	12.9
71.04997	27.0
71.08644	0.7
73.02919	1.4
79.05495	37.9
81.03442	3.8
81.07059	44.5
83.04974	4.5
83.08623	9.6
85.02901	3.7
85.06564	2.3
86.09721	1.2
86.69886	0.6
87.04466	0.7
90.72021	0.5
91.03965	1.1
91.04905	1.3
91.05482	28.5
93.07044	42.0
95.04973	4.1
95.08610	34.5
97.02893	2.1
97.06529	5.5
97.10184	2.3
97.15138	0.6
98.20728	1.5
99.08093	1.5
99.70630	0.6
103.05459	0.7
105.04530	0.9
105.07033	12.9
107.04948	0.8
107.08601	22.5
107.09316	1.3
109.06527	0.7
109.10161	65.4
111.08094	4.0
117.07021	5.6
119.08585	18.4
121.06529	1.0
121.10151	17.9
123.11747	3.9
123.12469	0.6
125.09655	1.2
126.67518	0.7
128.10497	0.7
129.07022	1.3
131.08569	6.7
133.10127	8.5
135.08075	1.3
135.11690	18.4
137.09608	9.8
137.13293	0.7
139.11200	1.7
143.08601	1.4
145.10117	6.6
145.11162	0.8
145.44063	0.6
147.11685	5.5
149.13239	4.5
151.11224	0.9
155.10643	4.5
157.10138	1.4
159.11719	3.7
161.13321	3.4
163.11188	3.2
163.14816	1.2
165.12746	1.1
169.12338	1.7
171.11737	0.9
173.11766	8.4
173.13304	3.5
173.26324	0.7
175.11118	0.9
175.14897	1.3
181.12309	1.8
183.11723	0.7
184.07408	2.0
185.13225	0.7
187.13371	1.5
187.14861	1.6
189.16331	0.9
193.12230	1.0
201.16388	1.2
211.13269	1.5
213.14883	1.7
229.14401	1.0
243.15985	3.1
255.15945	3.8
259.20615	1.0
261.22198	2.7
267.15952	1.7
285.16824	1.3
287.18536	24.4
317.24823	1.1
335.25797	23.1
337.27356	3.2
379.30191	1.0
397.31036	1.7
415.32275	1.0
423.32471	1.7
471.34857	3.3
489.35779	98.9
490.36285	2.4
497.36395	1.3
503.37253	2.9
515.37317	15.6
529.38873	1.8
538.43799	0.8
547.39984	82.4
548.40015	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.3
55.05492	0.8
56.05039	1.3
56.74183	0.2
57.03437	2.7
61.02914	0.4
65.03941	1.8
66.80152	0.2
67.05500	1.9
69.03425	1.8
69.07710	0.2
70.06589	1.6
71.01352	0.3
71.04609	0.5
71.04994	9.9
71.52042	0.4
72.08138	0.3
72.27534	0.3
73.02913	1.4
75.04460	0.8
81.03410	0.7
83.04990	3.5
84.04500	0.3
84.08144	20.6
85.02905	18.2
86.09682	0.5
87.04442	0.6
91.05482	10.9
97.02896	1.8
98.09693	2.3
99.04449	0.8
107.04942	0.9
109.02908	0.4
109.10119	0.4
111.04443	1.8
115.03933	0.5
117.05518	0.3
119.04942	25.0
120.05275	0.4
126.12791	15.3
127.03890	1.1
129.04530	0.3
129.05482	4.2
133.04980	0.4
140.14354	1.0
144.13835	28.4
145.04973	0.8
145.14221	0.3
147.04408	100.0
148.04745	1.2
158.15395	1.1
165.05513	0.3
177.05569	0.3
178.81871	0.2
187.07668	0.3
193.72174	0.3
201.05476	1.0
203.03235	0.3
275.09116	4.1
290.17441	3.6
293.10297	0.6
304.18927	0.3
350.11420	0.2
436.23318	5.1
437.23471	0.3
598.28589	2.9
744.34351	52.5
745.34528	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01880	0.3
55.05513	1.1
56.04792	0.2
56.05042	2.8
57.03441	2.1
61.02934	0.2
65.03934	1.4
65.73235	0.2
67.05505	2.4
69.03428	1.6
69.17245	0.3
69.17645	1.4
70.06594	1.1
71.01362	0.3
71.04995	10.7
72.08139	0.2
73.02919	0.8
75.04462	0.8
79.17506	0.2
81.03414	0.5
81.07068	0.2
83.04986	2.8
84.08147	39.1
85.02907	17.7
85.03443	0.4
85.08481	0.4
86.09701	0.3
87.04464	0.6
91.05484	9.9
95.04967	0.3
96.08176	0.2
97.02897	1.3
97.08916	0.5
97.95755	0.1
98.09698	2.8
99.04459	0.7
107.04977	1.1
109.02888	0.3
109.10170	0.7
111.04443	2.3
115.03942	0.3
117.05481	0.4
119.04946	24.1
124.11258	0.3
124.55462	0.2
126.12794	20.1
127.03904	0.8
127.13179	0.3
129.04539	0.3
129.05492	4.2
133.04837	0.2
140.14355	0.7
144.13844	8.8
145.04984	0.6
147.04413	100.0
148.04756	1.3
165.05518	0.3
169.04997	0.3
187.07639	0.3
201.05431	1.2
205.08644	0.2
213.09132	0.3
215.07132	0.2
246.68459	0.2
257.08121	0.3
275.09134	7.6
276.09702	0.2
290.17508	3.4
293.10205	1.5
309.09769	0.4
369.46143	0.2
436.23340	0.7
455.15652	0.3
598.28546	1.0
607.73639	0.2
697.95074	0.2
744.34369	47.5
745.34570	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	744.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37734	0.2
53.03919	0.3
55.01871	0.4
55.05513	1.1
56.05030	1.2
57.03196	0.2
57.03437	2.8
61.02913	0.5
65.03941	1.6
65.42632	0.2
67.05502	1.7
69.03426	2.2
69.74995	1.0
70.06599	2.6
71.01337	0.6
71.04994	9.7
73.02919	2.5
75.04465	0.8
79.02056	0.2
81.03401	0.6
81.07030	0.4
81.21838	0.2
83.04546	0.3
83.04988	3.0
84.08145	20.1
85.02909	16.7
85.03444	0.5
85.06562	0.2
86.09690	0.6
87.04456	0.7
91.05483	11.7
95.04987	0.2
95.79854	0.2
97.02892	2.4
98.09694	8.6
98.21548	0.2
99.04449	0.6
101.06023	0.2
107.04958	0.7
109.02841	0.6
109.10152	0.5
110.07161	0.3
111.04444	1.6
111.22598	0.2
115.03941	0.9
115.85031	0.2
117.05499	0.2
119.04942	25.2
121.02882	0.2
123.04452	0.3
126.12794	14.4
127.03893	1.5
129.05481	3.8
129.10223	0.5
133.04984	0.5
140.14345	2.6
144.13840	25.9
145.04955	0.7
145.14178	0.3
147.04411	100.0
148.04729	1.3
151.03877	0.3
158.15405	4.3
201.05450	1.1
219.10292	0.3
223.09575	0.2
275.09094	3.7
287.05295	0.3
290.17502	3.2
293.10248	0.9
304.19125	0.5
359.26617	0.2
359.33051	0.2
436.23364	4.8
436.29080	0.4
451.23172	0.2
595.26154	0.2
598.28522	2.1
744.34344	52.2
745.34442	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	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.01873	3.3
55.05513	20.8
56.05034	6.7
57.03435	14.1
57.07083	2.7
58.06600	2.3
61.02933	11.2
65.03942	2.6
67.05507	55.6
68.05022	5.0
69.03427	7.4
69.07074	14.5
70.02953	4.4
70.06596	11.2
71.04986	5.1
71.51947	2.1
72.04517	9.2
73.02921	3.1
74.06079	1.3
76.01080	1.1
79.05494	40.2
80.05025	8.1
81.03420	60.7
81.07059	59.5
82.06569	3.9
83.04984	6.4
83.08619	14.8
84.04527	2.2
84.08143	2.6
85.02906	14.9
85.06567	1.7
86.06055	1.8
86.09682	1.8
87.04434	1.3
91.03959	7.7
91.05485	32.4
93.07047	47.1
94.06573	2.0
94.29063	1.1
95.04977	18.8
95.08609	40.0
96.04497	5.5
96.08141	1.9
97.02892	12.4
97.06534	5.0
97.10169	6.0
98.06047	1.9
99.08076	1.4
105.04482	1.4
105.07035	20.9
107.04949	3.5
107.08588	24.2
109.02888	2.1
109.06528	4.6
109.10153	16.1
111.04481	1.6
111.08089	7.3
115.05510	1.2
117.07031	6.0
119.08588	21.5
120.08132	1.3
121.06516	3.1
121.10143	25.8
122.06056	1.2
122.09746	1.5
123.08060	4.2
123.11715	6.9
125.09630	3.1
127.03915	2.5
129.07062	7.2
129.07912	1.4
131.08577	19.5
133.06532	2.6
133.10153	13.8
135.08035	3.3
135.11697	10.4
137.09642	2.2
137.13298	2.2
138.12813	6.3
142.07776	2.0
144.06583	2.1
145.10147	7.0
147.08038	3.0
147.11707	12.4
148.11220	6.7
149.09633	11.1
149.13251	6.7
157.10123	9.5
159.11673	6.0
161.13261	4.1
162.07806	1.3
163.11186	3.0
163.14848	1.7
164.14314	1.6
165.12782	1.8
166.12306	13.8
171.11723	1.7
173.13260	4.0
175.11229	8.7
175.14828	2.6
177.12718	1.0
180.08684	1.9
182.15433	32.1
184.13358	14.0
187.14859	2.6
192.13818	5.5
193.12250	21.1
196.13397	1.2
199.14825	1.7
210.14896	67.9
211.13249	2.5
211.15239	1.4
213.37315	1.2
222.14900	1.7
227.12802	3.4
228.15947	4.3
240.15994	2.7
243.21130	4.4
249.14850	1.9
258.17023	4.7
261.22156	18.0
267.15921	100.0
268.16211	1.6
284.18600	9.8
285.16849	1.5
301.25336	2.0
302.19592	6.2
317.24875	2.2
335.25818	99.3
336.26080	2.2
378.43857	1.3
435.32385	2.6
453.33530	4.0
500.37854	1.4
518.38202	8.3
527.37311	41.3
536.39343	12.3
544.40161	5.7
544.47882	1.3
545.38354	26.9
562.41064	76.4
563.40887	3.6
580.43225	6.1
604.41345	2.1
706.44928	6.2
724.46265	46.7
725.46436	2.0
742.47827	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	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01870	2.7
55.05516	15.4
56.05032	5.4
57.03440	14.2
57.07079	2.2
60.04523	1.1
61.02930	11.2
65.03938	2.1
67.05506	44.5
68.05026	5.8
69.03443	7.7
69.07072	13.1
70.02963	3.8
70.06599	11.0
71.04994	4.4
71.23949	1.5
72.04530	9.4
73.02899	3.1
79.05497	36.5
80.05016	7.6
81.03420	57.7
81.07059	51.2
82.06577	2.9
83.04987	6.4
83.08622	17.0
84.04508	2.1
85.02911	11.2
85.06555	2.8
86.09719	2.4
91.03975	4.7
91.05486	28.8
93.07047	43.4
95.04972	19.4
95.08612	34.8
96.04495	3.4
96.61598	1.3
97.02891	8.0
97.06535	3.6
97.10176	5.0
98.06036	3.6
98.09725	1.6
99.04460	1.5
105.07038	23.3
107.04970	3.6
107.08591	23.9
109.02927	1.4
109.06528	5.6
109.10162	13.5
111.04466	1.9
111.08081	6.2
115.05483	1.8
117.07028	5.8
118.94409	1.3
119.08589	19.2
120.08087	1.8
120.41972	1.2
121.06501	3.6
121.10147	27.1
122.09705	1.8
123.08048	4.4
123.11716	6.0
124.11269	1.3
125.09640	3.2
127.03957	3.7
129.06995	6.3
131.08572	18.5
133.06496	1.2
133.10149	13.5
135.08110	1.9
135.11700	11.8
137.09634	3.2
138.12802	4.2
143.08571	2.4
144.06573	1.9
145.10155	6.7
147.08054	3.3
147.11703	11.7
148.11230	5.3
149.09613	11.9
149.13286	6.1
157.10147	9.1
159.11708	4.6
161.13271	3.8
162.07645	3.8
163.11198	2.2
163.14812	2.8
164.14403	2.4
165.08984	1.3
165.12753	2.9
166.12314	14.6
167.10831	1.5
171.11723	1.4
173.13266	4.5
175.11180	7.7
177.12779	1.9
180.08740	2.1
182.15427	26.6
184.13356	14.6
189.11226	2.6
192.13841	4.9
193.12228	19.2
204.72833	1.1
210.14905	55.6
227.12862	3.6
228.15952	5.0
240.15938	3.7
243.21106	5.6
258.17081	3.9
261.22122	13.4
267.15927	100.0
268.16241	1.7
284.18546	7.6
301.25284	1.7
302.19675	4.1
317.24823	2.6
335.25821	86.8
336.26007	1.6
341.89359	1.3
453.01196	1.7
453.33749	3.1
507.25412	1.5
518.38361	5.4
527.37299	37.2
528.38049	2.1
536.39166	9.7
544.39807	4.4
545.38525	25.9
562.41052	72.7
563.41382	2.2
580.42505	4.8
686.97119	1.4
706.45288	4.0
724.34064	3.0
724.46277	37.4
725.47797	1.6
742.36310	1.7
742.48010	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	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01871	2.3
55.05508	13.3
57.03439	10.8
57.07071	0.6
61.02916	2.3
65.03947	1.5
67.05507	35.4
68.05809	0.9
69.03433	3.7
69.06728	0.8
69.07070	9.9
69.47660	2.4
69.48068	1.2
71.04994	3.5
73.02888	1.1
79.05494	29.5
81.03423	38.3
81.07059	37.4
83.04984	7.9
83.08626	18.0
85.02439	1.1
85.02912	13.7
85.06548	1.5
91.03962	1.2
91.05483	24.4
93.07046	29.2
94.54443	0.6
95.04968	19.7
95.08611	23.7
97.02900	2.6
97.06529	5.0
97.10182	2.8
98.20846	1.4
98.21469	1.1
99.08114	1.2
102.31880	0.6
105.04527	0.7
105.07032	17.1
107.04973	3.4
107.08601	16.2
109.06525	3.8
109.10173	9.9
111.04462	1.4
111.08100	6.8
113.05981	1.7
117.07018	3.6
119.08587	14.2
121.06510	1.3
121.10147	13.9
122.10491	0.7
123.08080	2.2
123.11710	4.4
125.09641	1.0
129.06993	6.4
131.08580	9.3
133.06497	2.0
133.10130	10.9
135.08049	0.8
135.11681	7.7
136.11992	0.7
137.09607	1.8
142.07796	1.5
142.25183	0.7
145.10115	4.8
147.08055	1.7
147.11694	12.2
148.62347	0.6
149.09602	3.8
149.13297	3.1
151.11186	2.1
155.74612	0.7
157.10130	9.9
159.11693	1.5
161.13303	1.5
163.11145	2.8
163.14819	1.6
165.12773	2.9
168.55305	0.6
173.13281	1.7
173.88405	0.6
175.11183	9.2
181.12154	0.6
185.13287	0.6
187.14824	0.7
193.12259	27.2
211.13292	42.4
227.12788	1.9
228.13158	0.8
229.07771	0.6
243.21162	1.2
260.85822	0.6
261.22131	6.7
267.15924	12.5
283.15454	1.8
284.15796	1.3
285.16971	40.2
286.17322	1.0
317.24594	1.2
335.25806	51.0
336.26193	2.5
337.26611	1.1
435.32727	1.0
453.33679	1.4
471.34708	1.2
509.36539	0.8
527.37415	10.5
528.38080	0.7
545.38354	100.0
546.38660	2.4
563.39478	0.9
585.28003	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79739	0.8
53.03946	4.4
55.01871	2.7
55.05512	21.1
57.03443	17.9
57.07080	1.5
61.02926	4.4
65.03923	2.5
67.05508	53.7
68.03643	0.9
69.03428	5.3
69.07074	13.3
70.76270	1.3
70.76616	1.8
71.04987	5.6
73.02930	1.4
73.06538	0.9
73.98474	1.0
79.05499	45.0
81.03421	54.7
81.07061	53.2
83.04989	15.0
83.08625	22.5
85.02910	26.1
85.03315	0.5
85.06527	1.7
91.03951	2.0
91.04902	1.5
91.05489	41.0
93.07049	42.0
95.04975	23.8
95.08613	34.9
97.02906	5.4
97.06552	4.7
97.10146	5.0
99.08096	2.0
105.07034	29.3
107.04958	7.4
107.08602	20.9
109.06524	4.5
109.10162	12.3
111.04434	3.0
111.08076	10.3
113.06007	2.2
115.05461	2.5
117.07049	5.2
119.08588	22.4
121.06467	1.2
121.09335	1.5
121.10149	17.1
121.10964	0.6
123.08093	3.5
123.11696	4.0
125.09641	2.4
129.07028	9.2
131.08580	13.7
133.06538	1.4
133.10141	14.7
135.11684	8.3
137.09666	1.4
137.13284	1.4
142.07776	2.2
145.10149	7.3
147.08067	2.0
147.11691	14.9
149.09642	5.5
149.13258	3.0
151.11163	1.2
157.10135	12.7
159.11687	4.0
161.13287	3.6
163.11165	1.4
163.14825	1.9
165.12738	3.3
173.13243	3.5
175.11189	11.5
175.14732	1.5
184.07266	0.9
187.14885	2.4
193.10472	1.4
193.12253	38.0
211.13298	70.3
219.66217	1.0
227.12793	1.2
243.21121	3.7
249.14842	1.2
259.63751	1.1
261.22177	8.9
267.15921	15.4
269.09076	0.9
269.17487	1.6
276.77246	0.9
283.15543	1.0
285.16977	79.2
301.25320	1.2
317.24625	4.3
335.25812	77.5
336.26123	1.7
435.32730	2.3
453.33569	2.3
456.75583	1.0
471.34656	1.9
486.08926	1.0
509.36603	1.0
527.37286	13.2
545.38409	100.0
546.38580	3.8
678.31134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.01864	1.7
55.05280	1.1
55.05514	14.2
57.03441	12.9
57.07056	1.1
61.02916	2.9
65.03938	1.5
67.05508	45.2
69.03421	4.1
69.07069	10.2
69.81313	4.5
71.04993	4.5
73.02933	1.4
79.05499	33.3
81.03422	33.8
81.07060	46.0
81.65523	0.9
83.04991	9.7
83.08623	14.7
85.02908	15.9
85.06528	2.9
91.03957	1.1
91.04907	1.3
91.05488	33.0
93.07050	35.6
95.04974	16.0
95.08615	30.2
97.02895	3.6
97.06522	3.5
97.10172	3.7
99.08077	1.5
105.07037	21.3
107.04947	4.1
107.08601	17.6
109.06512	2.5
109.10146	10.2
111.08071	7.1
113.06017	1.7
117.07030	3.9
119.08584	17.2
121.06517	1.3
121.10155	17.3
123.08035	2.2
123.11701	4.4
125.09642	1.5
129.07004	8.5
131.08578	13.5
133.06465	2.1
133.10141	13.5
135.07968	0.9
135.11694	7.3
137.09604	2.1
145.10126	5.8
147.08017	2.7
147.11691	11.7
149.09639	5.7
149.13242	4.6
157.10147	9.2
159.11662	2.6
161.13278	2.8
163.11243	1.3
163.14754	1.3
165.12762	2.1
173.13255	2.9
175.11205	9.0
175.14883	1.1
187.14830	2.0
193.10484	1.0
193.12248	26.3
211.13300	37.4
243.21112	2.1
259.20380	1.1
261.22086	7.4
267.15924	13.9
269.17300	1.1
277.00311	1.0
285.16980	43.7
295.57629	0.9
310.85681	0.9
317.24857	2.0
321.37573	0.9
335.25818	75.7
336.26038	2.3
435.32568	2.4
453.33594	2.2
471.34641	1.5
527.37323	16.3
534.82928	1.1
545.38391	100.0
546.38745	3.4
724.51819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01871	1.7
55.05511	13.5
57.03166	0.6
57.03439	11.1
57.07073	1.6
61.02922	2.2
65.03946	1.7
67.05504	36.8
68.05831	1.3
69.03430	2.9
69.07070	10.5
69.37305	4.6
71.05000	4.0
73.02912	1.2
79.05493	29.2
81.02925	1.3
81.03417	36.6
81.07056	40.6
82.07384	0.8
83.04984	7.0
83.08619	17.5
85.02905	13.0
85.06557	1.6
91.03959	0.7
91.05484	22.6
93.07043	31.5
94.07353	1.1
95.04965	15.7
95.08607	25.1
96.08942	1.3
97.02900	3.4
97.06518	3.2
97.10177	3.3
98.20905	1.6
98.21552	1.1
99.04475	0.7
99.08080	1.3
100.45522	0.5
105.04491	0.9
105.07030	16.9
107.04965	3.2
107.08599	17.3
108.08932	0.8
109.06528	3.2
109.10151	10.9
111.04453	1.8
111.08086	6.2
113.06021	1.3
115.05434	0.8
117.07027	2.7
119.08577	14.2
121.06506	1.1
121.10141	14.1
122.10387	0.6
123.08076	1.9
123.11695	3.1
125.05975	0.6
125.09679	1.0
127.07561	0.6
127.77982	0.6
129.06999	5.2
131.08565	9.7
133.06503	1.7
133.10127	9.6
135.11694	7.9
136.12067	0.7
137.09657	1.1
137.13275	0.9
139.11201	0.6
142.07774	1.6
145.10126	5.9
146.10461	0.7
147.07967	1.2
147.11688	9.5
149.09618	4.1
149.13258	3.2
151.11171	1.2
155.12918	0.6
157.10130	8.4
159.11732	2.3
161.13274	1.9
163.11194	2.5
163.14861	0.8
164.11452	0.9
165.12793	1.9
173.13260	2.2
175.11185	9.2
175.14867	0.7
181.12149	0.5
185.13313	1.0
187.14877	1.1
193.12245	23.2
201.16328	0.9
201.18364	0.5
211.13290	31.2
227.12743	2.7
228.13094	1.2
240.61589	0.5
243.21112	1.6
261.22110	5.2
267.15887	8.8
283.15454	1.3
284.15784	1.4
285.16968	31.9
286.17163	0.6
317.24924	1.1
335.25800	58.1
336.26111	3.6
337.26529	2.3
435.32501	1.2
453.33664	1.2
471.35101	0.9
501.11597	0.6
527.37225	8.8
543.36609	1.1
544.37262	1.6
545.38342	100.0
546.38831	3.5
566.05200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01877	11.2
55.05510	25.6
57.03438	17.1
57.07068	3.7
59.04990	1.6
65.03938	6.5
67.05505	100.0
69.03429	5.5
69.06730	1.8
69.07070	20.4
70.07913	6.7
71.04988	7.1
71.08607	1.7
73.02902	1.8
78.96293	1.5
79.05495	64.8
81.03421	14.7
81.07058	85.1
82.07387	1.6
83.04987	25.9
83.08615	14.1
85.02896	7.0
85.06534	6.4
91.05478	46.4
91.06024	3.0
93.07047	72.9
95.01306	1.3
95.04971	19.6
95.08610	49.8
96.08943	1.7
97.02898	4.0
97.06536	11.0
97.10162	8.0
99.04462	2.8
99.08130	2.2
103.05460	2.9
105.07025	28.6
107.04956	30.3
107.08597	39.9
109.06519	8.7
109.09583	1.1
109.10155	33.6
111.04446	33.8
111.08083	10.1
117.07024	22.1
119.08581	28.4
121.06518	8.3
121.10146	42.7
123.04406	1.7
123.08060	4.6
123.11710	3.8
125.05987	2.8
125.09616	4.4
127.03905	2.3
129.05527	2.3
129.07002	11.0
130.07829	2.4
131.04922	3.4
131.08574	26.5
133.10149	13.9
135.08061	2.6
135.11687	38.3
137.09641	2.3
137.13271	3.8
139.11166	2.3
141.07057	1.8
143.08549	6.4
145.06479	7.7
145.10124	36.7
147.08075	3.2
147.11687	11.2
149.09641	6.8
149.13234	9.4
151.11191	2.0
153.12752	10.6
155.08549	12.2
155.10631	1.6
157.10121	4.7
159.08125	1.6
159.11737	11.3
161.09558	1.6
161.13237	6.9
163.11185	39.2
163.14821	3.3
165.12613	1.5
169.10225	2.4
170.17226	1.3
171.11717	3.6
173.09615	24.1
173.11789	3.1
173.13272	6.4
175.11192	1.7
175.14845	1.5
177.12752	1.4
177.16422	1.6
181.12244	21.9
183.11725	4.0
185.13226	3.1
187.14772	4.6
191.10680	19.8
193.12210	1.5
195.11662	2.4
197.13211	2.3
199.14899	2.9
209.11716	11.4
209.13368	2.3
227.12767	18.3
229.14291	11.1
243.21141	5.3
259.20581	1.7
261.22122	15.6
265.14359	42.1
267.15848	3.3
283.15381	71.6
284.15732	1.6
301.16455	78.5
306.28076	1.7
317.24551	2.5
335.25839	52.1
337.27673	1.5
361.23706	2.0
405.26459	2.4
423.32809	2.5
451.32053	4.0
469.33185	5.1
489.35623	6.5
515.37335	6.8
525.35687	11.3
543.36823	30.4
544.36841	4.5
561.37854	42.5
562.38055	2.7
579.39172	1.8
633.40027	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	741.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.0
55.01869	13.3
55.05512	25.6
57.03439	14.3
57.07061	4.3
61.02937	3.1
63.31771	1.9
65.03937	5.8
67.05508	100.0
69.03436	5.3
69.07066	25.8
71.04978	6.0
71.52382	3.1
79.05495	77.3
80.59775	2.2
81.03426	15.4
81.06602	4.7
81.07059	78.7
83.04978	20.2
83.08614	14.7
85.02895	8.9
85.06534	6.8
87.53586	2.3
91.05483	52.6
91.36111	2.0
93.07044	90.6
95.04958	16.7
95.08608	57.4
97.02889	5.6
97.06520	13.0
97.10152	7.2
99.04413	2.4
103.05462	2.4
105.04490	2.8
105.07041	27.6
107.04965	30.0
107.08593	44.3
109.06513	5.1
109.10167	32.3
111.04443	21.9
111.08052	9.6
115.05504	2.3
117.07020	21.6
119.08588	32.6
121.06483	7.7
121.09328	3.9
121.10144	49.5
123.08066	4.6
123.11684	5.2
125.05986	2.4
125.09651	5.0
129.07004	6.8
131.04871	3.0
131.08577	25.0
133.10144	17.2
133.96745	2.2
135.08037	4.4
135.11682	37.8
137.09558	2.4
139.11136	2.5
143.08531	6.7
145.06471	6.5
145.10127	36.6
147.08012	4.3
147.11725	12.2
149.09610	6.2
149.13252	7.5
153.12772	11.5
155.08527	11.1
157.10126	5.5
158.07149	2.7
159.11662	9.7
161.13303	5.5
163.11183	36.5
163.14801	5.5
171.11613	3.3
173.09641	23.1
173.11177	2.3
173.11754	2.7
173.13232	6.1
181.12222	13.2
183.11674	2.4
185.13362	2.8
187.14835	2.8
191.10707	17.0
209.11696	10.3
209.13429	3.0
221.27412	2.1
221.74841	2.5
225.79860	2.5
227.12775	21.4
229.14378	8.6
230.38501	2.0
243.21005	6.6
259.20609	3.5
261.22198	20.8
265.14322	31.5
267.15964	4.7
277.21561	3.4
283.15387	63.1
301.16467	39.9
317.24808	4.3
335.25830	84.9
423.32260	2.6
469.33383	3.2
489.35718	6.1
497.36270	2.8
515.37250	9.2
525.35901	10.7
543.36829	47.9
544.36945	5.3
561.29926	4.6
561.37921	63.2
562.38379	3.2
707.99506	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	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
53.04157	0.5
55.01878	2.4
55.05516	10.5
57.03441	8.1
57.07052	1.4
61.02901	1.2
65.03952	1.5
67.05510	36.5
67.58496	0.3
67.81948	0.3
69.03410	1.1
69.07074	9.6
70.70152	0.7
71.05000	2.1
71.08595	0.4
71.78231	0.3
73.02906	0.6
77.03918	0.4
78.38704	0.3
79.05497	30.0
81.03386	1.0
81.07061	36.9
83.04994	2.6
83.08622	7.0
85.02885	1.2
85.06535	1.2
85.10163	0.3
88.03721	0.3
88.53585	0.3
91.03948	0.5
91.05482	12.6
93.07049	38.6
95.04971	4.2
95.08611	40.9
96.08913	0.4
97.02892	2.6
97.06522	2.8
97.10184	1.5
99.04461	2.7
99.08085	0.4
103.05450	0.6
105.04544	0.7
105.07033	9.9
107.04964	4.9
107.08602	25.9
109.06555	1.9
109.10160	10.0
111.04435	0.9
111.08047	1.5
113.06054	0.7
115.05440	0.5
117.06255	0.4
117.07026	7.7
119.05975	0.3
119.08587	10.0
120.07400	0.3
121.06526	3.5
121.10150	16.8
123.08049	0.9
123.11727	2.8
125.05990	1.9
125.09628	0.4
130.07759	1.0
131.08588	3.9
133.10136	4.9
135.08006	1.2
135.11700	36.5
137.09579	0.7
137.13251	0.8
139.07539	0.8
143.08551	0.8
145.10133	19.9
147.11723	2.0
149.09642	0.4
149.13277	2.5
151.11151	0.4
153.12769	0.8
159.11725	1.6
161.13240	2.0
163.11189	40.9
163.14809	1.1
164.11577	0.4
173.09628	0.6
173.13255	1.8
175.14835	0.6
177.16357	0.4
181.12247	6.5
186.55162	0.3
187.14780	0.7
191.10626	0.3
197.66708	0.3
209.11801	1.3
227.12796	47.7
228.13240	0.9
243.21120	2.0
261.22144	6.7
283.15411	49.3
284.15729	0.7
317.24731	1.9
335.25812	100.0
336.22433	0.4
336.26123	2.0
347.70242	0.4
543.36841	80.2
544.37177	2.7
667.16077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	2.5
55.01854	1.5
55.05514	12.7
55.05764	0.6
57.03439	8.4
57.07071	1.6
61.02908	1.0
65.03911	1.9
67.05508	34.8
69.03435	1.2
69.07072	10.5
69.71990	1.9
69.72399	1.5
71.04961	2.5
73.02898	1.1
75.03233	0.6
79.05496	35.8
81.03366	1.9
81.07057	41.3
83.04975	3.5
83.08617	7.9
85.02879	1.5
85.06520	1.3
85.74790	0.6
91.05479	15.2
93.03378	0.7
93.07044	49.7
95.04974	6.2
95.08608	52.3
96.08897	1.0
97.02890	4.0
97.06494	2.6
97.10136	2.4
99.04459	3.7
105.06406	0.9
105.07033	10.9
107.04955	7.2
107.08596	34.4
108.08920	0.6
109.06471	2.3
109.09495	0.6
109.10159	10.5
111.04422	1.1
111.08043	1.3
111.11790	0.6
113.06036	0.6
117.07021	10.8
119.08584	13.9
121.06521	5.2
121.10149	21.2
121.11033	1.2
123.11678	2.9
125.06000	3.5
129.07071	0.7
130.07784	1.3
131.08565	4.0
133.10126	6.2
135.08043	1.6
135.11694	50.9
136.12012	0.9
137.13199	1.2
139.07521	1.9
143.08496	0.7
145.10129	28.4
147.11653	2.1
149.13235	2.5
153.12648	0.8
159.11646	2.0
161.13225	2.0
163.11180	63.4
173.13219	2.2
181.12236	8.6
187.14706	0.9
209.11757	2.2
227.12782	74.0
228.13123	1.1
243.21057	2.3
261.22159	9.3
283.15399	100.0
284.03241	0.7
284.15750	1.8
317.24799	2.5
326.23972	0.8
335.25800	92.6
336.26263	1.6
394.89346	0.6
431.63126	0.7
527.50629	0.6
543.36823	92.3
544.37067	3.6
561.37573	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01868	0.5
55.05515	1.1
56.05032	2.4
57.03424	0.7
57.05812	0.2
58.06586	0.7
60.04506	0.5
61.02921	0.5
67.01860	0.7
67.05507	2.9
68.05030	1.0
68.99782	0.5
69.03430	3.8
69.07062	0.7
70.06593	17.1
71.01366	0.3
71.04993	1.9
71.06921	0.2
72.08155	1.5
73.02901	0.6
74.06067	0.4
75.89154	0.2
79.05499	0.3
80.05048	0.2
81.03418	4.7
81.07050	0.7
82.06577	0.5
83.04970	0.4
83.06085	0.2
83.07381	0.3
84.04514	1.2
84.08146	28.0
85.02909	4.9
85.08474	0.3
86.06072	1.0
86.09699	2.4
87.00813	0.4
87.04453	0.2
91.03961	0.3
91.05476	1.1
95.04980	0.2
96.08134	0.9
97.02898	4.8
97.08904	0.3
98.09696	100.0
99.04450	1.3
99.10017	1.0
102.05549	0.4
103.05464	0.2
105.01865	0.3
107.04930	0.3
109.02882	4.4
109.10171	1.1
110.06024	0.2
110.07190	1.4
110.09663	0.4
111.00822	0.2
111.10469	0.7
112.08771	0.3
112.11245	0.8
113.07166	0.2
114.05524	0.3
115.03911	0.5
115.08746	0.4
117.66994	0.2
119.04965	1.5
120.08134	1.1
121.02145	0.2
121.02847	1.0
121.06467	0.3
123.09250	0.2
124.07590	0.4
126.12796	16.3
127.03920	10.0
127.13152	0.3
128.04298	0.4
129.10255	2.1
130.04987	0.3
136.07576	1.1
137.05991	0.3
137.07903	0.2
138.09100	0.4
138.12811	0.5
140.14343	58.1
141.14667	0.9
144.13840	1.0
145.04987	0.5
147.04413	8.5
153.01842	0.8
158.15407	2.5
159.09256	0.2
165.01901	0.4
166.08804	0.2
169.04997	0.3
173.12822	0.2
183.02951	0.3
187.05995	1.9
187.07233	0.2
191.11818	1.1
192.12669	0.4
197.42679	0.2
205.13429	0.4
212.08490	0.3
213.03938	0.5
213.09012	0.4
229.14128	0.2
231.04988	0.5
241.05032	0.2
258.05310	0.2
273.06036	0.3
285.73358	0.2
287.05499	30.7
288.05869	1.9
291.07120	0.3
299.05576	0.9
304.19092	2.0
329.06497	0.4
377.21487	0.4
413.89700	0.2
417.12723	0.4
436.23376	0.4
449.10806	3.0
450.11209	0.3
450.24847	3.8
450.75073	1.4
451.25162	0.6
465.25400	0.3
468.23880	0.4
491.11807	0.4
491.18140	2.1
531.27509	0.2
546.28204	0.4
550.23468	0.2
596.28973	0.2
600.28271	0.4
614.29468	2.6
739.41730	42.1
740.42114	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	739.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
56.05030	0.9
56.42697	0.4
57.03433	0.8
60.04533	1.2
65.03970	0.6
66.54192	0.5
67.05510	1.4
68.05031	0.5
69.03428	1.0
69.07077	0.7
69.79691	2.8
70.06602	13.7
70.17880	0.4
71.05004	0.8
72.08184	2.4
74.06095	0.5
79.05485	1.5
81.03433	1.3
81.07068	1.3
82.06615	0.7
84.04516	2.0
84.08157	6.8
85.02914	2.1
86.09710	7.8
87.10041	0.6
91.03935	0.8
91.05486	1.6
93.05800	0.8
93.07051	2.1
94.06589	2.1
95.05003	0.6
95.08603	0.6
96.04491	0.5
96.08138	1.6
97.02926	0.8
98.06071	0.6
98.09709	7.3
98.38126	0.6
102.05524	0.6
103.05457	1.0
103.63174	0.5
105.07095	1.2
106.06538	0.9
107.07346	0.8
107.08622	0.6
108.08125	4.3
109.02943	0.7
110.07183	1.1
110.09710	1.1
115.08688	0.6
118.06824	0.7
119.04961	0.6
120.04511	0.7
120.08121	5.9
122.06043	1.6
122.09683	1.7
123.06831	1.1
124.07635	1.1
126.12841	1.0
127.03969	1.1
129.10274	3.7
130.06525	0.9
131.08577	0.6
132.08061	0.5
134.04539	0.6
134.05992	0.8
134.09637	1.2
136.07605	8.9
137.08389	1.1
138.09164	8.2
140.14359	2.7
143.11813	0.5
144.04399	0.7
146.06061	1.6
147.04465	1.0
148.07558	2.5
149.08438	0.8
150.05547	0.9
150.09178	3.7
151.06329	3.0
151.09953	1.1
152.07076	1.2
152.10710	3.2
155.08257	0.7
155.11739	0.7
159.09218	1.0
160.03944	1.6
162.05563	1.0
162.09140	1.3
164.07101	1.5
164.10739	1.3
166.08665	27.9
168.10239	2.1
172.03944	3.0
172.07594	0.6
174.09218	0.6
176.07199	0.5
178.08737	1.0
180.10211	3.0
181.11041	0.8
182.04659	0.6
182.08250	1.1
182.10017	0.6
182.11771	6.9
183.14978	0.7
189.12363	0.7
190.05069	2.7
194.08221	1.2
196.09789	0.5
196.53340	0.5
197.10805	0.8
204.06606	3.7
209.10779	1.6
210.11525	0.7
211.08632	1.3
211.12451	0.7
213.10274	1.6
221.07416	0.7
222.07855	0.8
223.08653	1.1
225.10315	2.3
227.08229	0.6
227.11885	0.8
228.12576	0.7
236.09488	0.7
237.10254	3.1
239.08263	1.0
239.11809	1.1
240.09044	0.7
249.06624	0.7
249.10231	4.0
250.07448	0.6
250.11107	1.4
251.08206	2.0
251.11856	1.2
252.09105	0.6
253.09753	1.1
255.11371	0.8
259.14474	1.4
263.08270	2.0
264.08975	1.4
265.09735	4.6
266.10602	2.2
266.43008	0.5
267.07797	3.0
267.11337	1.6
269.12906	1.5
271.10953	1.4
277.09808	3.3
278.06967	0.5
278.10117	0.6
279.08093	0.7
279.11380	1.8
281.09259	1.9
281.12820	1.1
283.10883	1.5
285.12500	0.7
287.05533	2.3
287.13904	10.1
288.05945	1.3
289.06146	1.0
289.09830	0.7
291.07727	2.1
292.08447	0.6
293.09424	2.7
293.12537	0.7
295.10898	2.0
295.14224	0.7
297.12421	2.0
301.12030	0.7
307.10855	1.7
308.08041	0.8
309.08762	5.5
309.12195	1.1
311.10355	1.9
311.13846	1.0
312.11401	0.7
313.12009	1.1
313.15546	4.4
315.13803	0.5
322.09357	0.5
323.10327	6.7
324.11218	0.8
325.12030	1.9
326.12711	0.6
327.13574	0.7
329.11572	0.9
329.15195	1.1
337.08136	1.0
337.11774	1.0
339.09818	0.8
339.13388	3.5
341.11310	1.0
341.15179	0.9
342.12500	0.6
343.16803	0.6
348.17413	0.9
351.09918	1.3
355.12988	2.0
357.14523	2.1
358.15662	1.2
363.71722	0.5
369.10754	0.8
370.15985	0.8
371.11838	1.0
371.16125	11.9
372.17105	0.9
374.15012	1.1
382.15652	1.0
383.12436	1.3
384.13312	0.6
384.17459	0.7
385.14105	1.2
386.15091	1.0
388.16608	0.7
397.14105	0.9
398.14847	0.7
399.15677	0.7
400.16769	1.7
402.14484	1.1
407.23560	0.5
415.15009	3.4
416.16223	1.1
428.16232	0.9
430.13345	0.7
430.18332	0.7
432.19513	0.8
440.16528	0.6
442.18127	0.7
444.15601	1.8
445.16394	0.9
446.21008	0.7
448.18530	0.9
450.20303	1.4
450.74622	0.6
454.14087	0.8
458.17471	1.5
459.18063	1.0
468.15878	0.9
472.19165	0.9
474.20486	3.5
476.18307	1.9
486.16824	0.8
490.19888	6.8
496.31049	0.8
500.18283	4.2
503.16986	0.7
504.17883	1.3
518.19232	15.3
527.80933	0.8
536.19672	0.6
550.21918	54.8
551.21857	1.5
582.24542	100.0
583.25049	4.1
625.22632	0.6
657.25696	6.6
739.28143	0.6
739.40710	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	739.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13098	0.5
55.05479	0.8
57.03401	0.6
58.55877	0.4
60.04520	0.4
61.02907	0.9
67.05453	1.3
68.30331	0.4
69.03398	1.0
69.07020	1.3
70.06592	5.0
71.52051	0.6
72.08139	0.9
73.02896	0.5
79.05460	1.0
81.03381	0.9
81.07000	1.7
81.07402	0.4
83.04952	0.4
83.08582	0.6
84.04442	1.0
84.08153	3.6
85.02852	1.7
86.09707	2.6
91.03926	0.8
91.05437	1.7
92.09099	0.4
93.06979	1.4
94.06517	0.7
95.04947	0.7
95.08582	1.0
97.02849	0.8
98.09686	4.2
98.81532	0.4
100.58245	0.4
103.05437	0.5
104.55200	0.4
105.06986	1.4
107.04921	0.5
107.07327	0.5
107.08572	1.0
109.10096	1.0
110.07143	0.7
119.08484	0.5
120.08047	1.4
121.06433	1.2
122.09700	2.1
126.12789	0.8
127.03883	0.6
129.10181	0.9
131.08519	0.8
132.08037	0.5
134.09602	0.6
135.08040	0.5
136.06177	0.8
136.07526	0.8
136.11185	0.6
140.14304	2.3
145.04951	0.5
147.04346	0.6
148.07564	0.6
148.11258	1.9
150.08015	0.6
150.09145	9.0
163.11195	0.4
165.11517	0.7
174.09076	0.5
176.10670	1.9
186.09055	0.7
187.08481	0.5
196.09956	0.5
199.08604	1.0
204.10191	8.0
211.08653	0.5
213.06708	2.3
218.11732	0.9
223.08623	2.4
224.09267	0.6
225.10213	2.9
226.07358	0.6
226.10814	0.6
227.08200	3.6
228.08934	0.5
235.08591	1.2
237.06561	1.0
237.10094	1.0
239.08138	1.2
239.11801	1.3
241.06050	1.0
241.09694	0.8
243.11259	1.9
249.06403	0.4
249.10088	0.4
250.07220	0.5
251.08128	6.0
252.08878	3.4
253.05911	0.5
253.09732	7.9
254.10342	1.0
255.07664	0.9
256.08325	0.7
263.08087	1.3
264.09171	0.5
265.06143	0.8
265.09601	1.3
266.06729	0.8
266.10510	1.1
267.07672	2.1
267.11267	9.3
268.11902	0.8
269.09253	1.6
269.12784	0.5
271.10712	0.7
279.07651	16.1
279.10873	1.0
280.08423	4.7
281.09222	16.4
282.09970	1.3
283.07211	0.8
283.10849	0.6
285.12262	0.8
287.05548	1.0
291.07678	0.5
292.08508	0.7
293.09106	1.9
294.09995	1.8
295.10782	16.8
296.11447	3.3
297.08679	1.7
297.11938	0.5
298.09277	0.9
299.10309	0.5
307.07031	3.3
307.10233	0.7
308.07864	1.1
309.08722	9.1
310.06284	0.4
310.09424	2.5
311.10135	1.1
313.11752	1.9
315.09747	13.2
315.13379	0.7
321.08752	1.0
322.09406	1.5
323.10190	2.3
324.11041	1.5
325.08084	1.7
325.11826	4.8
326.09009	1.1
327.09711	0.9
327.13193	0.6
328.10483	0.6
335.06573	1.6
339.09882	2.0
340.10602	0.9
341.11334	24.7
342.11795	1.1
347.12457	4.4
349.12344	0.4
350.08966	0.7
351.09662	2.1
353.07718	2.1
355.12946	1.2
363.09839	1.1
368.10046	38.8
369.10815	76.7
370.11197	1.8
381.10858	1.6
387.11826	5.8
399.11945	0.9
400.12598	8.8
400.17383	0.7
401.13431	35.8
402.13739	1.0
412.16818	0.4
428.19360	0.7
434.12872	0.5
442.17908	0.5
444.19406	0.5
446.20508	0.5
462.20096	1.1
472.18500	0.9
476.14697	1.1
486.16446	1.9
490.20206	1.9
494.15491	0.7
500.18646	0.8
502.86420	0.4
508.17117	1.2
518.19196	11.0
522.22241	2.3
526.18353	1.4
536.20142	0.6
550.21875	100.0
551.22144	3.7
582.24304	3.3
625.23163	0.7
675.26721	0.8
739.41681	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	739.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.4
55.05498	3.9
61.02919	2.1
66.89236	1.1
67.05520	5.8
69.03419	2.9
69.07064	2.2
70.06603	13.3
71.04990	2.1
72.08134	3.0
79.05476	3.4
81.03397	3.7
81.07057	5.0
83.04977	1.1
83.08603	1.5
84.04510	1.5
84.08145	7.9
85.02899	5.0
86.09708	5.6
87.49689	0.9
91.05462	3.6
93.07026	4.6
95.04978	2.0
95.08591	3.6
97.02873	3.1
97.06529	1.0
97.10156	2.1
98.09706	9.4
98.35502	0.9
99.91348	1.0
105.07052	5.3
107.08569	2.6
109.02856	1.4
109.10133	2.6
110.07187	1.2
117.07048	1.1
119.08582	2.6
120.08111	2.0
121.06503	2.0
121.10136	1.6
122.09635	2.3
123.08115	1.1
126.12798	2.3
127.03945	2.3
129.10214	3.1
129.68080	1.0
131.08539	2.2
133.10117	2.0
136.07581	1.9
140.14363	6.5
143.01875	2.3
145.10107	2.0
147.11668	2.0
148.07558	1.1
148.11214	2.0
149.09621	1.1
150.09140	9.4
160.07492	1.3
161.02948	2.0
165.09088	2.6
174.09074	1.3
195.06613	1.6
204.10211	5.9
213.06573	1.4
225.10237	2.8
227.08109	2.0
229.00986	1.2
241.09850	1.4
243.11154	1.6
251.08174	3.8
252.08981	3.0
253.09698	3.3
263.08011	1.4
267.07675	1.1
267.11346	6.9
269.13092	1.4
271.10785	1.4
276.08786	1.2
279.07663	11.2
280.08398	3.4
281.09195	13.6
287.05347	2.2
287.10284	1.6
289.05356	1.5
295.10782	11.5
296.11490	2.0
307.07135	2.3
307.18814	1.3
309.08823	6.6
310.09470	1.1
311.10263	1.3
313.11682	2.2
315.09799	10.1
323.10233	2.4
325.11871	5.4
335.06561	1.6
339.09723	1.4
341.11340	16.7
347.12390	3.4
351.09760	1.6
353.07663	1.3
355.13196	1.6
360.88113	1.2
368.10056	33.8
369.10831	61.1
370.10989	2.1
381.10928	2.0
387.11752	3.8
400.12552	4.7
401.13498	28.4
406.26709	1.4
428.19626	1.1
463.55118	1.1
473.28168	2.8
486.16287	2.2
491.30042	12.0
518.19385	7.5
537.24493	1.3
550.21906	100.0
551.22021	4.5
559.28809	11.7
582.24652	7.0
625.22473	2.2
653.34381	3.6
695.35797	8.8
739.34662	50.7
740.37939	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05472	0.6
57.03400	0.4
61.02905	0.3
67.05466	0.9
69.03375	0.4
69.07033	0.5
69.58179	0.7
69.58591	1.2
70.06596	1.9
70.06922	0.5
72.08141	0.6
79.05483	0.6
81.03406	0.5
81.07018	0.6
83.08591	0.4
84.08141	1.6
85.02872	0.6
86.09653	1.2
91.05441	0.9
93.07019	0.5
94.06548	0.6
95.04895	0.3
95.08598	0.6
97.02840	0.4
98.09642	1.4
98.10215	0.3
105.06980	0.9
106.06528	0.4
107.04922	0.3
107.07349	1.6
107.08550	0.6
108.08080	0.8
109.10117	0.5
113.07037	0.3
119.08546	0.5
120.08043	1.0
122.05992	0.4
122.08904	0.3
122.09678	4.9
127.03869	0.5
129.10197	0.6
131.08511	0.8
132.08066	0.8
133.08911	0.4
135.06731	0.4
136.07542	1.0
136.11147	0.4
140.14296	0.8
144.08020	0.9
146.05974	0.4
146.09566	0.7
147.06700	1.0
148.11234	1.8
150.09149	7.4
152.07138	0.5
158.09613	1.5
159.10378	0.8
160.07530	0.4
160.11185	1.0
161.08310	0.3
162.09175	0.4
163.11206	0.3
165.11458	0.8
166.08595	1.1
170.09720	0.4
171.09203	0.3
172.07559	0.5
174.09126	0.9
176.10757	2.1
183.09155	0.4
184.09839	0.3
186.09119	1.2
187.06302	0.4
187.12314	0.4
188.07047	0.7
188.10652	1.3
194.08087	0.4
196.09753	0.8
197.10732	0.5
199.08655	1.1
200.09343	0.6
201.10153	0.5
202.08653	0.5
203.11803	0.4
204.10220	7.9
208.07599	0.4
209.07088	0.4
210.07721	0.4
211.08603	0.6
211.12318	0.4
213.06548	2.3
213.10193	0.8
215.11790	0.9
216.10106	0.4
217.13327	0.5
218.08173	0.4
218.11786	1.7
220.09717	0.8
222.11336	0.4
223.08658	2.0
224.09309	0.8
225.10257	3.0
226.07318	0.5
226.10852	0.7
227.08144	2.9
227.11731	0.7
228.08801	0.7
229.09613	0.6
230.08046	0.4
235.08707	0.6
237.06546	1.2
237.10303	0.8
238.07224	0.6
238.11024	0.7
239.08119	1.3
239.11862	1.5
241.06097	0.8
241.09828	1.6
243.07500	0.5
243.11316	4.2
248.09221	2.7
249.10268	0.5
250.10843	0.4
251.08115	4.6
252.08885	2.8
253.09731	5.3
254.10448	0.4
255.07709	1.1
255.11357	0.5
256.08502	0.8
257.12927	0.5
261.06348	0.7
262.07199	0.7
263.07968	1.8
264.08844	0.6
265.05899	0.3
265.09720	1.4
266.06754	0.4
266.10410	0.7
267.07654	1.6
267.11285	8.8
268.08350	0.4
268.12003	0.7
269.09174	1.3
269.12860	1.0
271.10672	1.3
273.08746	0.3
275.10419	0.4
276.08694	4.0
277.09647	0.6
278.10483	0.5
279.07657	14.4
279.10822	0.7
280.08453	4.4
281.09204	13.3
282.09921	1.0
283.07288	0.6
283.10782	0.8
284.07751	0.4
285.09079	0.4
285.12259	1.4
287.10236	0.5
291.07660	0.5
293.09067	1.8
294.09845	1.4
295.10785	15.0
296.08286	0.5
296.11520	2.0
297.08710	1.9
297.12299	1.1
298.09735	0.7
299.10251	0.6
299.13760	0.5
300.11008	0.4
302.12784	0.5
303.10178	0.5
303.13055	1.7
307.07199	3.4
307.10565	0.7
308.07831	1.0
309.08755	6.5
309.12112	0.7
310.09564	2.1
310.12418	0.4
311.10321	0.7
312.11002	0.4
313.11777	2.1
314.12561	0.4
315.09796	14.6
315.13364	1.8
316.10812	0.4
321.08682	1.2
322.09390	1.4
323.10248	3.7
324.10880	1.2
325.08228	0.9
325.11835	4.3
326.09027	1.4
327.09821	0.8
327.13327	1.0
328.10510	0.6
333.14606	0.3
335.06653	1.1
335.10153	0.4
336.07349	0.5
337.11957	0.5
339.09784	2.0
339.13467	0.5
340.10583	0.5
341.11334	18.9
342.12027	0.6
344.17880	0.4
347.12396	4.0
350.09106	0.8
351.09882	1.9
353.07672	2.2
353.11362	0.5
354.08411	0.6
355.09128	0.5
355.12924	2.7
356.13852	0.5
358.15475	0.5
360.17111	0.4
363.09653	0.5
368.10031	31.7
369.10815	60.5
370.11212	1.9
370.15405	0.5
371.12497	0.6
372.13065	0.5
381.10788	2.5
383.12469	0.7
386.11057	0.6
387.11783	3.4
387.15918	0.5
388.17041	0.4
398.15167	0.9
399.11734	0.6
400.12595	6.4
401.13437	23.4
402.13971	0.7
402.18564	0.6
412.16830	0.4
413.16742	0.4
414.18497	0.5
418.17761	0.4
428.19586	0.5
430.18054	0.7
440.16110	0.4
444.19391	0.7
458.17145	1.0
462.20560	1.5
472.18750	1.3
474.20505	0.7
475.17581	1.0
475.26501	0.4
476.14395	1.2
486.16879	1.7
490.19714	3.0
493.28461	0.4
494.15652	0.4
500.18201	0.7
505.21884	0.5
508.17310	0.8
518.19244	11.0
522.22400	2.5
526.18744	0.6
536.20178	0.5
537.23749	0.5
550.21869	100.0
551.22247	4.1
552.23431	0.6
568.22845	1.9
582.24506	20.1
583.24115	0.8
597.23730	0.7
607.22083	0.7
612.25311	0.8
625.22968	5.7
629.25787	1.3
639.24695	0.8
643.23621	0.6
657.25665	4.3
689.28363	0.7
739.41498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79404	0.1
65.03941	0.2
67.05500	0.1
67.49345	0.1
68.05016	0.2
69.03442	0.2
69.07074	0.3
70.06594	2.0
70.40521	0.1
71.52595	0.2
72.08159	0.7
73.02913	0.1
79.05490	0.2
81.03429	0.2
84.04507	0.3
84.08151	1.3
85.02901	0.3
85.08527	0.1
86.06062	0.1
86.09711	1.0
87.10072	0.1
89.03922	0.3
91.05479	0.2
94.06556	0.4
95.04964	0.1
96.08134	0.4
97.02863	0.2
98.09726	0.8
101.07082	0.1
102.05545	0.2
108.08119	0.3
110.07165	0.5
110.09687	0.6
116.04980	1.0
119.04939	0.1
120.08108	0.9
121.06543	0.1
122.06028	1.1
124.07601	0.5
127.03941	0.2
129.10219	0.6
134.06007	0.2
136.06432	0.2
136.07590	2.0
137.07915	0.2
138.05490	0.4
138.09167	1.0
140.14357	0.5
144.04436	2.7
147.04373	0.1
148.07579	0.3
150.05486	1.0
151.06270	0.2
152.07062	10.5
154.08627	0.3
162.05510	1.2
164.07109	0.2
165.07864	8.6
166.08650	5.1
167.05826	0.2
167.09377	0.5
168.06635	0.1
172.03937	16.7
173.04279	0.3
174.05580	0.1
174.09189	0.1
178.04900	0.2
182.08127	4.2
184.09715	0.2
187.10838	0.2
190.05011	0.5
193.07294	0.4
196.09706	0.1
200.09163	1.9
204.06560	26.1
205.06860	0.2
211.08394	3.0
213.10196	0.2
226.10733	100.0
227.11076	1.5
229.09792	0.7
229.11699	0.1
230.10464	0.6
231.11224	0.2
240.08862	0.1
241.09625	0.3
242.21040	0.1
243.11295	0.4
244.11935	0.2
255.11272	0.2
257.09265	0.2
257.12906	0.3
258.10080	0.4
259.10712	0.3
271.10721	0.3
272.11502	0.3
273.12305	1.1
275.09979	0.1
279.11124	0.1
287.05557	0.9
289.11823	0.6
290.12482	0.1
297.12411	0.2
299.10233	0.2
300.11044	0.4
301.11771	0.4
315.13449	0.7
318.12006	0.2
325.11850	0.7
329.15121	0.2
333.14444	10.0
334.14774	0.2
339.13379	0.8
343.12762	0.2
347.15891	0.1
351.15515	4.2
355.12750	0.2
357.14432	5.3
365.16898	0.4
367.12894	0.3
378.16577	0.1
379.16751	0.3
383.17972	0.2
508.20963	0.8
520.20563	0.5
540.23199	0.2
552.23273	0.5
582.23895	0.4
657.25122	0.1
680.97375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
53.11660	0.1
55.01875	0.6
57.03440	0.7
61.02927	0.4
67.01868	2.6
67.05480	0.1
68.99812	0.6
69.03434	10.3
70.06597	1.2
71.01354	0.3
71.04996	2.0
72.08138	0.2
73.02935	0.2
76.79206	0.1
81.03423	15.4
83.01367	0.5
84.08152	1.3
85.02909	7.5
86.09714	0.3
87.00837	1.8
91.05463	0.2
97.02898	15.5
98.09701	3.5
98.20741	0.4
99.04462	4.3
103.03954	0.3
105.01887	0.6
105.03365	0.2
107.04967	0.2
109.02886	13.5
111.00820	0.7
115.03951	0.2
119.04949	0.2
121.02871	2.4
125.02479	0.1
126.12783	0.4
127.03923	34.2
128.04253	0.3
129.01874	0.2
129.10269	0.2
133.02875	0.4
137.02351	0.4
139.03896	0.1
139.21266	0.1
140.14351	2.8
145.04941	1.0
145.65050	0.1
147.04404	0.6
153.01839	2.7
157.06470	0.3
165.01872	1.4
169.04982	0.5
171.04454	0.2
177.94505	0.2
183.02928	0.6
185.05969	0.4
187.06021	7.2
195.02940	0.2
213.03810	1.7
213.05670	0.7
219.02942	0.2
229.05006	0.2
231.04805	1.3
231.06940	0.3
241.04892	0.8
257.04523	0.3
258.05347	0.9
269.04510	0.2
273.06134	1.0
276.24814	0.2
286.04654	0.3
287.05505	100.0
288.05807	2.0
291.07025	0.9
294.05261	0.3
295.05975	0.5
296.06564	0.2
297.07599	0.1
299.05521	0.3
307.06158	0.3
309.07324	0.2
325.07208	0.8
329.06537	0.9
332.02496	0.1
337.07129	0.7
349.06985	0.4
351.08685	0.2
355.07950	0.3
365.10062	0.2
375.08463	0.2
377.06592	0.2
379.08151	0.5
391.08200	0.2
395.07526	0.4
403.08078	0.3
409.09308	0.2
421.09076	0.3
438.27798	0.1
449.10815	12.3
450.11038	0.2
457.11118	0.6
499.07748	0.2
523.12280	0.3
577.11145	0.2
583.14032	0.2
609.09808	0.2
674.14569	0.2
739.42175	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01881	1.1
55.49325	0.1
57.03443	0.7
61.02930	0.6
68.99786	0.8
69.03435	4.8
69.03820	0.2
69.39610	0.8
70.06564	0.3
71.04998	0.6
73.02915	1.1
81.03423	5.8
84.08138	0.2
85.02911	6.2
86.09673	0.2
87.00315	0.2
87.00835	2.7
91.03944	0.2
97.02296	0.2
97.02897	2.7
98.09721	0.1
99.04465	1.5
99.05058	0.2
103.03884	0.1
105.01881	1.6
105.03391	0.2
107.04955	0.2
109.02888	5.3
111.00806	0.4
115.03924	0.2
117.01909	0.5
117.02613	0.1
121.02008	0.2
121.02876	2.9
127.03925	6.7
129.01845	0.4
133.02864	0.4
137.02348	0.5
145.03917	0.2
145.04970	2.0
145.06544	0.2
147.02895	0.3
147.04414	0.5
153.01849	2.3
157.06450	0.2
159.02914	2.4
161.06023	0.1
165.01836	1.1
171.04388	0.2
183.02902	0.6
185.05992	0.4
187.06009	1.5
197.05998	0.1
201.05605	0.1
203.07109	0.1
205.07162	0.2
213.05536	0.9
221.92395	0.1
231.05017	0.7
231.06769	0.4
241.04965	0.7
258.05270	0.9
259.06100	0.3
286.04538	0.2
287.05508	100.0
288.05847	1.4
329.06580	0.9
353.06616	0.3
449.10944	0.2
491.11871	8.6
492.12402	0.2
517.09766	0.3
535.10956	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	5.2
55.05519	12.4
56.88351	0.9
57.03451	6.0
57.07065	1.7
59.99883	1.0
61.25473	0.9
64.76691	1.0
65.03924	2.3
67.05509	39.0
69.03421	1.2
69.07074	11.1
69.22871	8.5
71.04985	2.3
73.06539	1.0
73.82437	0.9
75.61890	0.9
76.16888	0.9
78.62702	1.0
79.05499	50.0
81.03409	3.7
81.07063	36.6
83.04974	6.7
83.08630	6.7
85.02898	1.5
85.06544	1.5
91.04906	1.6
91.05484	33.6
93.07048	49.3
93.07637	2.4
95.04977	7.9
95.08615	31.3
97.06504	3.2
97.10149	2.0
98.20668	1.5
100.52214	0.8
103.05367	1.2
105.04530	1.6
105.07035	24.7
107.04965	2.4
107.08596	16.0
109.06495	2.9
109.10162	7.8
117.07021	5.1
119.08572	14.6
121.06548	1.9
121.10166	9.8
123.08070	2.3
123.11703	2.4
127.07579	1.0
129.06987	8.4
131.08591	4.9
133.10162	8.9
135.11702	5.0
137.13147	1.2
143.08589	5.8
145.10127	7.7
147.08098	1.2
147.11691	24.7
149.13246	2.0
153.81029	1.0
154.47597	1.1
159.11674	3.1
161.09622	2.2
161.13254	5.7
163.14824	1.0
171.11684	13.2
173.13278	2.4
189.12857	4.7
197.67397	1.0
207.13815	17.3
243.21152	1.5
261.22083	4.1
279.15839	2.3
281.17474	49.1
286.19617	1.0
317.24649	1.3
335.25803	43.6
359.05478	1.0
424.87872	1.1
541.38934	100.0
542.39069	4.0
559.39612	2.3
738.53455	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	736.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.3
61.02912	2.2
67.05505	6.5
69.03419	1.9
69.07061	2.0
70.06591	4.1
70.16389	1.4
71.24766	2.7
79.05499	2.7
81.07060	3.6
83.08630	1.5
85.02927	2.4
86.09705	4.9
90.65318	1.5
91.05478	2.2
93.07036	3.9
95.05015	1.5
95.08606	4.8
103.86016	1.3
105.07007	2.3
107.08570	2.0
108.08160	1.5
109.10147	2.9
119.08574	3.7
120.08121	1.5
131.08591	1.4
133.10080	1.4
188.44647	1.4
197.10919	1.4
198.11404	3.3
211.08716	2.5
223.08508	1.7
225.10095	1.9
226.10971	2.4
227.08247	1.9
227.11792	24.6
228.12523	2.6
237.10284	1.8
239.08217	1.5
239.11795	5.2
240.12608	2.7
241.13298	7.2
242.14238	4.1
243.14847	6.5
247.12355	2.3
249.10208	1.7
251.08174	2.1
251.11804	2.4
253.09773	5.0
253.13411	4.0
254.14070	2.4
263.11826	8.6
263.15244	1.7
264.12454	2.8
265.09732	5.1
267.11322	2.3
275.11856	3.9
276.12604	5.9
277.13312	9.7
278.14175	10.5
279.11145	3.2
279.14664	1.5
287.11807	2.3
289.13406	3.8
290.14117	9.7
291.14969	14.9
292.15552	3.2
293.09241	3.3
293.16473	5.2
303.07529	1.6
303.11191	1.9
303.14871	2.1
304.11993	2.7
305.12860	4.2
305.16385	3.1
306.13821	2.8
306.16968	2.0
307.14417	3.1
307.17749	2.4
314.13864	1.9
315.11087	1.5
315.14883	2.8
318.13388	3.5
319.14365	18.5
320.15057	5.4
329.12833	3.4
329.16428	2.9
333.15948	10.6
334.16406	2.7
335.17435	6.4
339.13608	2.1
348.17123	2.5
350.18570	3.5
353.11356	2.5
356.14850	1.7
357.12030	1.7
358.16336	1.9
373.19217	3.0
417.14514	3.8
434.17352	1.9
445.14227	2.9
446.80273	1.8
456.22748	5.6
462.16919	2.5
471.17801	1.7
477.16766	3.2
484.22784	9.2
499.24173	5.3
501.23065	2.9
514.19867	2.9
515.20746	2.7
529.22351	5.5
557.21741	6.6
571.23950	2.0
572.24078	2.1
585.21106	8.8
601.24261	2.6
617.23944	4.8
629.23944	3.5
631.28369	2.8
638.27075	1.9
659.28577	12.6
669.26416	2.2
670.25037	3.1
672.24280	2.2
676.31116	5.4
687.28149	94.0
688.27600	3.5
691.31305	10.6
704.30481	25.3
719.30768	100.0
720.30780	2.9
736.32715	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	735.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01863	1.7
55.05510	1.1
57.03440	3.9
61.02925	0.6
65.03917	0.8
66.88140	0.5
67.05502	2.6
68.99793	1.7
69.03432	1.1
69.07056	0.9
69.56386	0.7
69.56799	2.2
70.06583	2.2
71.04977	0.5
72.08124	0.6
77.03916	0.6
79.05499	6.7
81.03429	2.3
81.07053	2.6
84.04485	0.7
84.08161	0.6
85.02894	1.1
86.09701	1.7
91.05495	4.5
93.07040	1.7
95.04974	7.7
95.08578	1.4
97.02867	1.1
97.06551	0.4
97.10175	0.5
103.05479	2.6
105.03373	0.6
105.04524	0.9
105.07037	31.7
107.04960	10.5
107.08553	1.2
109.06519	5.6
109.10146	1.8
115.05470	1.5
117.03368	0.7
117.07004	2.1
119.04964	4.4
119.08563	1.7
120.05711	0.5
120.08150	0.6
121.02882	5.1
121.06499	1.9
121.10177	0.5
122.44584	0.5
123.04417	1.9
127.03918	0.5
127.94832	0.5
128.06207	0.5
129.07002	1.4
129.10208	0.5
131.04912	1.7
131.08594	1.2
133.02875	4.4
133.06497	36.1
133.10179	0.5
134.07281	4.2
135.04410	7.3
136.07588	0.6
137.02399	0.4
141.06981	0.6
145.06497	7.6
145.10101	0.6
147.04396	5.1
147.08057	5.7
148.05177	1.1
149.02373	1.4
149.05972	2.0
151.07552	49.6
152.08003	0.6
153.00595	0.8
153.01833	17.7
155.77606	0.5
156.25893	0.5
157.06483	2.1
159.04436	1.8
159.08051	2.8
159.16731	0.4
160.05183	1.6
161.05977	7.5
162.06767	1.4
163.03923	16.0
164.04660	0.6
165.01834	6.7
169.06493	0.5
171.02911	1.8
171.04321	1.0
171.08008	0.7
173.06003	11.2
174.06734	1.0
175.03897	0.6
175.07555	5.2
177.05556	0.7
179.03419	6.4
181.05040	0.6
181.06453	1.0
183.02908	2.4
185.05974	2.7
186.06758	1.4
187.03880	5.0
187.07527	6.2
189.05559	0.7
191.03401	45.8
194.07280	0.6
199.07576	1.6
201.05446	1.3
203.03282	0.5
209.04424	4.7
209.09692	1.2
213.05623	0.7
215.07048	2.6
217.05013	1.0
227.07065	3.9
229.14365	0.5
236.08174	0.6
237.09097	11.2
239.06982	0.9
242.09320	3.7
243.06499	2.8
243.10114	0.7
251.07092	1.6
251.10687	0.7
253.08685	1.0
255.06586	1.1
255.10222	3.7
261.07452	0.9
263.10712	1.3
265.08600	8.9
266.09055	0.6
267.10135	3.1
268.10837	0.6
279.10165	12.7
280.10950	19.2
281.08618	0.5
281.11697	11.7
283.06064	3.0
283.09100	0.7
285.07581	100.0
286.07910	1.6
289.06924	3.1
296.10437	0.8
297.07941	0.6
297.11188	8.4
298.11984	10.8
301.06982	2.2
303.08569	1.6
311.09201	2.5
313.07065	16.0
314.07755	0.5
325.07098	1.6
359.85419	0.5
363.08701	0.5
415.11371	0.7
419.11209	0.9
421.12912	4.8
429.13370	0.5
435.10660	0.6
445.12823	14.4
457.12790	2.1
475.13995	1.2
567.16211	0.8
579.38330	0.6
585.17505	1.3
687.22772	0.6
699.21802	1.7
717.23175	4.0
735.41187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.2
53.03944	1.2
55.01870	1.1
55.05516	3.2
56.81197	0.2
57.03440	1.1
57.07074	1.1
60.16274	0.2
61.02930	1.0
65.03933	0.4
67.05505	7.5
68.99801	0.4
69.03089	0.3
69.03435	4.3
69.07067	5.0
69.84554	0.3
69.84960	0.8
70.06567	0.6
71.04549	0.2
71.04979	0.6
71.08604	0.2
72.08149	0.2
73.02929	0.9
77.03912	0.2
79.05493	4.8
80.43344	0.2
81.03420	3.4
81.07058	22.3
82.07410	0.2
83.04958	0.2
83.08613	1.8
84.08128	0.4
85.02907	12.9
85.06557	0.3
86.09711	0.5
87.00832	5.5
91.03962	0.4
91.05483	3.8
93.07044	11.1
95.04946	0.5
95.08607	13.9
96.04489	0.2
97.02895	4.3
97.10172	1.9
99.04468	1.8
103.03967	0.3
103.05463	0.2
105.01870	11.9
105.04533	0.2
105.07033	9.4
107.08598	12.8
109.02885	4.3
109.06516	0.2
109.10161	10.9
111.11713	0.7
117.01847	0.5
117.07030	1.3
119.08583	10.1
121.06484	0.2
121.10148	10.9
123.11712	12.4
125.02280	0.2
125.13272	0.6
127.03923	9.6
129.01819	0.4
129.06978	0.4
131.08568	3.6
132.09299	0.2
133.10139	8.5
134.10513	0.2
135.11694	7.7
135.12724	0.4
136.07570	0.3
137.05997	0.4
137.13275	1.7
140.14369	0.2
144.09283	0.2
145.04973	3.9
145.10121	4.9
147.11697	8.3
149.13263	12.2
151.14854	0.3
157.10156	0.4
158.10913	0.2
159.02904	1.8
159.11696	4.2
159.13025	0.2
161.13260	7.7
163.14828	4.3
164.61081	0.2
171.11717	0.3
173.04584	0.2
173.13268	3.5
175.14832	8.8
177.16385	1.6
185.13321	0.3
186.14044	0.3
187.14819	6.5
189.03960	0.2
189.16382	14.2
190.17062	0.9
191.17986	1.3
199.14777	0.6
201.16399	5.0
203.17992	0.7
206.14914	0.2
213.03900	0.9
213.16417	0.4
215.17949	7.5
216.18396	0.3
217.19438	0.3
227.17915	0.8
228.18690	0.6
229.19511	2.7
231.04985	4.4
242.20296	0.5
243.21011	0.5
249.06050	5.1
262.11700	0.2
269.22858	0.2
271.24203	100.0
272.24524	1.9
273.25821	1.4
289.25232	2.9
298.75714	0.2
308.74252	0.2
393.10248	0.7
453.02963	0.2
519.29315	0.4
529.34381	0.2
537.30682	0.3
564.47528	0.2
620.93396	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.05513	2.2
57.03425	1.6
61.02930	4.8
67.05508	5.7
68.44489	0.6
69.03429	2.5
69.07069	2.4
70.63615	1.3
70.63971	1.2
71.04975	0.8
73.02934	4.7
79.05498	3.9
81.03426	2.0
81.07059	5.4
83.04981	1.2
83.08619	0.7
85.02900	5.9
86.09750	0.8
91.03963	2.1
91.05475	3.0
93.07036	4.3
94.25701	0.7
95.08604	3.8
97.02900	3.4
99.04488	0.9
101.02396	2.1
105.07051	1.7
107.08618	2.0
109.02914	1.1
109.10184	2.2
111.08191	0.7
119.08586	1.5
121.10183	1.4
127.03934	1.2
133.10152	1.4
135.11725	1.8
137.13271	0.6
149.13275	1.6
159.11760	1.1
184.07304	1.6
243.06276	0.7
243.08488	2.8
269.17365	0.7
271.15427	0.6
313.27438	1.0
335.25958	0.8
453.21021	7.2
519.29413	5.4
534.38953	1.1
561.34308	1.0
731.43433	100.0
732.43726	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	731.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.05505	1.8
57.03432	1.7
57.07066	0.8
58.95946	0.5
61.02694	0.5
61.02929	5.2
67.05508	6.8
69.03425	2.2
69.07060	2.3
69.73008	2.8
71.04972	0.7
73.02915	4.0
79.05521	3.5
81.03412	2.3
81.07054	7.9
83.08609	0.6
85.02897	4.8
91.03953	3.8
91.05486	2.4
93.07052	5.1
95.04975	0.5
95.08607	5.1
97.02898	4.2
97.06539	1.0
98.21447	0.6
99.04466	0.8
101.02387	1.8
101.92946	0.6
105.07039	1.9
107.08609	2.8
109.02888	0.9
109.10188	2.2
117.07018	1.0
119.08607	1.4
121.10157	2.7
121.53147	0.5
127.03896	1.7
131.08606	1.3
133.10172	1.4
135.11755	1.9
145.05070	0.6
145.10136	0.6
147.11713	0.7
149.13277	2.0
159.11766	1.0
173.13303	0.6
184.07390	1.0
185.04292	0.7
197.46895	0.5
203.05267	0.5
206.72939	0.5
235.13069	1.1
243.08484	2.2
262.25409	0.7
263.25772	0.7
313.27493	0.8
321.46332	0.5
335.25842	1.1
453.21060	4.1
482.46841	0.7
494.39383	0.6
519.29346	7.0
534.39435	0.6
731.43408	100.0
732.44049	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	731.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22871	0.8
55.05509	1.5
63.98391	1.1
64.99554	0.9
66.51910	0.8
67.05483	3.1
68.05006	1.0
69.03413	0.9
69.07034	1.4
69.52583	5.8
70.06260	1.0
70.06598	13.2
71.06911	1.4
72.08116	2.6
73.02876	1.0
79.05470	1.3
81.07040	3.1
83.08643	1.0
84.04507	1.7
84.08130	7.1
85.02880	3.2
86.06030	1.3
86.09711	7.0
91.03939	1.4
91.05457	2.5
93.06996	3.5
95.04977	1.9
95.08608	1.8
96.08115	1.1
97.02879	2.4
97.06504	1.0
98.06026	1.0
105.06990	2.9
107.08572	1.7
108.08116	1.4
109.02843	1.0
109.10146	1.4
110.07136	2.3
115.08638	1.0
120.08086	2.8
121.06477	1.4
121.10107	2.1
122.05964	1.0
127.03908	1.4
129.10211	2.7
132.04390	1.1
136.07510	2.3
150.09154	1.0
155.24437	1.0
159.11620	1.0
159.97180	0.9
174.94925	1.0
183.14876	1.5
195.11404	1.0
198.63380	0.9
269.22583	1.2
280.11536	1.1
287.05545	1.4
308.08228	2.0
335.06482	1.4
342.23868	1.1
361.07828	1.8
363.06165	1.1
367.09576	1.1
383.09045	1.2
393.07449	1.6
405.07855	2.3
411.08246	1.5
423.08704	5.4
437.09961	2.6
441.09506	1.1
455.10995	2.9
456.15964	1.6
466.14694	7.2
482.13834	1.5
484.15338	3.7
498.17487	1.6
504.20895	1.3
510.13080	3.8
514.16107	1.1
516.18903	8.0
519.57495	1.0
528.14258	1.6
542.08478	1.6
542.16821	32.0
543.17365	1.7
560.16846	7.8
574.19312	100.0
575.19934	4.9
583.18292	1.5
592.19891	7.5
699.24310	23.7
713.27881	1.1
731.26233	38.7
732.27112	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26840	0.8
55.05518	4.5
57.07080	31.1
67.05498	2.8
69.07068	5.5
69.22983	7.3
70.28006	0.8
70.67667	0.8
71.04998	0.8
71.08636	28.3
73.06558	8.8
81.07059	1.8
83.08621	4.6
85.09667	0.9
85.10191	20.5
87.04466	9.0
89.06035	100.0
90.06395	0.8
91.05496	1.3
91.07590	1.4
93.07048	1.5
95.08614	2.4
97.10178	5.5
99.11732	3.2
105.07043	1.1
107.07080	2.1
109.10161	1.5
111.11719	3.4
111.82365	0.8
113.13263	1.6
117.09151	8.2
125.13282	2.1
127.14884	1.3
130.08672	3.6
131.07068	3.0
133.08612	51.8
135.10173	1.6
139.14900	0.9
161.11763	2.5
175.09660	1.5
177.11237	23.2
177.12700	1.5
184.07349	3.2
194.06026	0.9
211.24269	2.3
221.13821	5.4
239.15024	1.3
255.26898	1.8
265.16470	1.9
283.17615	2.4
299.29483	8.3
309.19150	1.4
327.20294	1.2
343.32053	5.3
352.85220	0.8
400.17673	1.5
415.25101	1.0
467.20886	0.9
470.88150	0.8
500.05005	0.9
503.30862	2.1
713.54077	4.6
730.44373	2.7
730.56433	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	730.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
55.05514	1.2
56.05040	0.8
57.03436	0.8
57.05812	0.2
58.06601	0.8
58.06862	0.1
58.29308	0.1
60.04515	0.3
61.02911	0.1
65.03935	0.6
67.05509	6.8
68.05029	0.9
69.03426	0.5
69.07069	1.3
70.02950	0.2
70.06596	16.8
71.01358	3.1
71.05000	2.7
71.06912	0.2
71.51582	0.2
71.51963	0.2
72.08162	1.7
73.02905	0.3
74.06082	0.4
74.64375	0.1
75.04474	0.2
79.05500	0.3
81.03411	0.3
81.07062	1.3
82.06586	0.6
83.04973	0.4
83.06123	0.1
83.07355	0.5
83.08628	0.2
84.04501	0.8
84.08147	7.3
85.02912	4.1
85.03430	0.2
86.06071	0.7
86.09710	2.5
87.05620	0.2
89.02398	3.6
91.05482	2.7
94.06554	0.1
95.04981	0.1
95.06116	0.1
96.08139	1.2
97.02891	0.5
97.08920	0.2
98.09698	100.0
99.00810	0.8
99.10033	0.9
102.05514	0.4
107.04951	0.4
107.08581	0.3
109.10159	2.0
110.06026	0.2
110.07169	0.9
110.09673	0.2
111.04444	0.3
111.10478	1.4
111.11716	0.3
112.08738	0.4
112.11231	1.3
113.07137	0.3
114.05516	0.2
115.03957	0.3
115.08720	0.3
119.04945	5.2
120.08133	0.8
122.06022	0.2
126.05512	0.2
126.12775	0.3
127.03934	0.3
129.05499	0.2
129.06657	0.3
129.10251	1.6
136.07596	1.0
137.05984	0.3
138.12758	0.4
139.08694	0.2
140.14348	37.7
141.14709	0.5
147.04417	23.0
148.04730	0.3
158.15414	9.9
167.08365	0.2
173.06047	0.2
174.09148	0.2
175.07567	0.4
177.10274	0.2
187.07532	0.4
195.08073	0.1
197.05994	0.2
201.12433	0.2
205.08612	0.3
211.07623	0.2
212.08377	1.8
213.09128	0.5
215.01918	0.3
216.62209	0.2
217.08626	0.2
256.15491	0.3
275.09149	0.2
287.05515	0.2
304.19116	1.5
321.17395	0.1
341.22501	0.1
372.16653	0.2
377.21960	0.2
396.14679	0.2
450.24817	2.3
450.75125	0.7
451.25269	0.5
454.25076	0.1
468.23993	1.0
510.98929	0.2
531.28363	0.2
546.60254	0.2
584.24866	1.1
614.29596	1.8
615.30524	0.2
700.36182	0.2
730.30701	66.6
731.31067	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01871	3.9
55.05503	7.1
57.03436	6.0
57.07073	1.8
60.05637	1.9
61.02931	3.2
65.03936	1.1
67.05507	42.7
69.03415	2.8
69.07073	9.4
69.75449	3.1
71.05000	4.9
71.08631	1.1
77.03854	0.7
79.05497	18.4
81.03412	2.9
81.07059	40.2
83.04980	4.8
83.08618	4.1
85.02895	1.9
85.06528	2.8
86.09671	0.8
91.03968	0.8
91.05485	26.9
93.07047	24.5
95.04970	4.6
95.08608	18.2
97.02889	1.0
97.06525	2.9
97.10153	2.1
99.04432	2.3
99.08138	0.6
105.07037	22.9
107.04978	1.1
107.07877	1.4
107.08594	27.0
109.06539	3.2
109.10162	42.0
111.08083	1.1
113.06004	2.6
117.06998	3.1
119.08589	6.3
121.10153	9.0
123.08019	1.1
123.11711	10.1
125.09641	1.1
127.07545	2.0
131.08569	5.9
133.10136	48.0
135.08061	0.9
135.11678	5.1
137.09593	1.0
137.13269	0.8
143.08557	1.0
145.10118	3.8
147.11696	2.7
149.13246	2.7
151.11192	24.5
153.12749	0.7
159.11674	3.3
161.09636	1.7
161.13210	1.9
163.11209	1.1
163.14795	1.6
169.12250	4.8
173.13219	1.7
175.14842	0.9
177.16391	1.0
179.10670	1.2
197.11775	1.0
215.12764	2.5
227.12743	1.0
243.21100	4.0
253.14360	100.0
254.14702	1.8
261.22137	11.1
271.15411	35.1
275.20340	0.7
279.23117	1.2
293.21109	1.1
299.23514	0.7
317.24725	1.6
335.25815	31.1
353.26974	0.8
404.50851	0.6
439.31766	2.1
457.33066	1.6
489.35687	1.1
513.35834	8.4
531.36853	40.5
532.37164	1.2
549.37921	1.3
561.37903	0.8
660.18378	0.8
708.69922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4605
Annotation	Trungapeptin C
Peak:m/z	Relative Intensity
55.05519	0.7
56.84608	0.5
59.77575	0.7
67.05507	1.7
69.07074	0.8
70.77353	0.9
70.77658	0.6
79.05499	1.7
81.07055	1.9
83.01093	1.0
91.05487	1.3
93.07049	1.7
95.08607	2.3
99.87250	0.5
105.07062	1.5
107.08611	0.9
109.10191	0.8
111.04230	2.8
119.08621	1.0
127.03693	2.0
131.08543	0.8
133.10133	1.2
141.05231	1.1
145.10150	0.9
155.06821	2.4
171.06299	2.2
185.07866	1.1
199.09441	3.4
215.09006	1.2
227.12651	0.8
243.12053	1.6
257.13806	0.7
271.15286	2.0
287.14639	2.3
347.17059	0.8
375.20062	1.6
407.85266	0.6
463.25366	1.1
601.32526	0.6
641.34808	5.4
658.80756	0.7
727.46057	100.0
728.46454	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	728.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01881	3.2
55.05510	7.9
57.03199	0.8
57.03448	7.3
57.07061	1.1
60.05627	1.1
61.02920	1.8
61.40377	0.7
62.48431	0.7
65.03921	1.5
67.05509	40.1
69.03413	2.6
69.06730	1.1
69.07073	12.5
69.97680	2.7
71.05001	3.4
71.08635	1.2
79.05497	21.5
81.03417	2.5
81.07060	37.7
83.04986	5.2
83.08623	4.4
85.02898	2.0
85.06553	3.8
91.05483	28.8
93.07048	27.5
95.04969	5.1
95.08607	19.7
97.02877	1.6
97.06537	2.4
97.10168	2.1
99.04450	2.5
99.08080	0.9
105.07032	22.3
107.04967	1.1
107.08599	25.6
109.06531	4.0
109.10165	39.3
111.08115	1.2
113.06013	2.0
115.07544	0.9
117.07011	2.4
119.08591	5.1
121.10146	7.6
121.40455	0.6
123.08109	1.4
123.11716	9.2
125.09621	1.4
127.07551	2.2
128.06219	1.2
129.07025	0.8
131.08574	6.5
133.10136	48.2
135.11702	6.6
137.13298	0.9
143.08583	1.3
145.10136	3.6
147.11678	1.9
149.13272	3.0
151.11186	22.7
159.11691	2.1
161.09644	1.7
161.13240	1.4
163.14848	1.7
169.12259	3.8
173.13290	2.1
179.10675	1.1
184.07259	0.8
187.14842	1.4
197.11742	1.0
215.12827	2.9
215.82155	0.7
217.35146	0.8
243.21123	2.5
243.66605	0.8
253.14365	100.0
254.14653	1.3
261.22147	11.5
271.15424	31.0
293.21091	2.1
317.24786	2.2
335.25800	51.2
336.26096	2.2
400.33441	0.8
439.31815	1.2
457.33099	2.4
513.35632	7.5
526.73224	0.8
531.36841	52.9
532.37250	2.0
549.38074	1.0
561.37805	1.9
572.58655	0.7
658.09766	0.7
735.81116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01872	1.3
57.03436	0.8
57.60184	0.1
61.02934	1.0
65.03924	0.2
68.99789	1.0
69.03433	4.9
70.06588	0.2
70.55698	0.2
70.56029	0.3
71.01344	0.2
71.04985	0.6
73.02917	1.0
81.03423	6.3
83.01347	0.3
84.08132	0.2
85.02908	9.1
86.03233	0.1
86.80807	0.1
87.00829	4.2
87.04430	0.3
88.19484	0.1
91.03947	0.4
92.02612	0.3
93.03394	0.5
97.02899	3.3
98.09684	0.3
99.04462	1.9
105.01870	2.0
109.02887	5.0
112.92914	0.1
115.03952	0.2
117.01880	0.8
121.02855	0.5
125.02370	0.1
126.03210	0.2
127.03919	7.2
129.01778	0.6
129.10202	0.1
137.02377	0.3
139.03889	0.5
140.14331	0.2
145.04961	2.6
147.02888	0.4
148.12325	0.1
151.03897	0.5
153.01828	4.1
159.02905	3.2
163.03902	0.2
165.01888	0.6
166.02647	0.1
177.03914	0.2
177.05499	0.1
183.02904	0.2
201.05539	0.4
203.03427	0.2
213.03889	0.3
217.04947	0.4
218.05850	0.3
228.04166	0.7
229.04976	1.8
231.05029	1.5
245.04526	0.6
246.05284	1.1
257.04446	1.6
260.03186	0.3
264.27429	0.1
271.06085	0.2
273.03824	1.0
274.04733	3.1
284.03201	0.3
285.03955	3.3
288.06219	0.2
302.04224	11.7
303.04538	0.2
317.06561	100.0
318.06918	2.0
328.84805	0.1
341.06717	0.2
345.99347	0.1
359.07635	1.0
383.08270	0.2
450.25073	0.2
479.11874	15.8
480.12067	0.5
510.58734	0.1
565.11578	0.2
593.09869	0.2
642.30225	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	727.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46047	0.1
53.03945	1.2
55.01873	1.3
55.05504	0.2
56.05017	0.2
57.03438	1.3
58.06581	0.2
59.05044	0.1
60.04519	0.1
60.05645	0.2
61.02925	1.1
66.11404	0.1
67.01874	0.1
67.05510	0.8
68.05021	0.4
68.05841	0.1
68.99795	0.7
69.03432	5.6
69.07054	0.2
70.03764	0.1
70.06593	3.2
70.60741	0.3
70.61137	0.2
71.01350	0.2
71.04994	1.2
71.06909	0.3
72.08136	0.3
73.02917	1.4
74.06077	0.2
81.03419	6.9
81.07020	0.2
81.55586	0.1
82.06596	0.1
83.01349	0.2
83.04975	0.1
84.04503	0.3
84.08138	1.6
85.02905	9.6
85.08472	0.1
86.03220	0.1
86.06064	0.6
86.09703	0.6
87.00831	3.8
87.04470	0.2
91.03959	0.5
91.05481	0.2
92.02631	0.3
93.03400	0.5
96.08102	0.1
97.02895	4.3
98.09695	14.3
99.03844	0.2
99.04452	2.3
99.09406	0.1
99.10020	3.1
101.07159	0.2
105.01865	2.4
105.02569	0.1
107.04939	0.1
109.02880	5.1
109.10141	0.3
110.03270	0.1
110.07153	0.3
111.00773	0.2
111.10454	0.2
112.11269	0.2
114.05534	0.2
115.03925	0.3
117.01871	1.0
119.04951	0.3
121.02862	0.9
121.06544	0.1
124.05241	0.1
126.03149	0.1
127.03920	7.8
128.04321	0.1
129.01840	0.7
129.10236	0.4
133.04977	0.4
136.07567	0.5
137.02318	0.2
138.06569	0.1
139.03889	0.6
140.14345	4.9
141.14693	1.8
145.04945	2.5
147.02930	0.5
147.04417	1.3
148.04759	0.3
151.03941	0.7
153.01828	3.5
155.08150	0.1
158.05991	0.2
158.15393	0.3
159.02892	3.4
159.15724	0.1
163.03860	0.2
165.01811	0.6
177.04066	0.2
177.05479	0.3
179.08127	0.1
183.02937	0.3
201.05536	0.3
203.03374	0.3
204.02467	0.1
213.03951	0.3
217.04936	0.2
218.05757	0.1
228.04166	0.9
229.04959	1.6
231.02902	0.1
231.05020	1.4
245.04488	0.5
246.05228	1.0
257.04465	1.6
260.03326	0.2
261.07501	0.2
271.06128	0.2
273.03940	1.0
274.04715	2.9
274.07516	0.2
284.03140	0.3
285.03949	3.7
286.04483	0.1
288.06012	0.1
295.05984	0.3
301.03503	0.2
302.04211	14.4
303.04581	0.2
307.05945	0.2
317.06552	100.0
318.06876	1.2
321.07724	0.1
325.07224	0.2
329.06598	0.1
337.06992	0.2
349.07126	0.2
359.07587	0.9
361.06967	0.2
379.08109	0.3
383.07718	0.2
387.02087	0.2
417.23990	0.2
418.24252	0.3
427.10294	0.2
454.00119	0.1
479.11859	15.5
480.11981	0.3
488.74295	0.1
564.29950	0.6
565.11572	0.3
565.30365	0.2
577.15118	0.2
724.48163	0.1
726.35187	4.8
727.35474	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	726.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.8
55.01872	1.3
55.05273	1.1
55.05514	16.0
57.03156	0.9
57.03435	11.4
57.07069	2.3
58.43556	0.7
61.02934	4.3
65.03925	2.6
67.05508	64.5
69.03419	2.1
69.07069	18.8
70.81675	1.6
71.04986	2.5
71.08620	1.0
73.02915	1.1
79.05496	42.9
81.03440	3.3
81.07057	76.3
83.04967	4.5
83.08624	13.6
85.02898	5.0
85.06532	2.6
91.03963	2.2
91.05484	26.1
93.07047	51.6
93.70493	0.7
95.04986	3.8
95.08610	34.4
97.02886	3.8
97.05289	1.2
97.06543	7.0
97.10195	2.0
99.04488	0.7
99.08109	1.5
105.04513	0.8
105.07030	11.9
107.08597	30.0
109.06511	1.9
109.10162	14.0
111.08098	4.9
117.07023	9.3
119.08582	7.4
121.06544	2.1
121.10146	17.5
123.11698	7.2
125.09634	2.1
127.03953	0.8
131.08563	12.5
133.10136	15.6
135.08064	1.2
135.11690	15.2
137.09538	0.8
137.13210	1.1
143.08632	0.8
145.04883	0.8
145.10149	4.9
147.11691	3.7
149.13271	14.7
151.11205	1.9
159.11707	9.3
161.13225	3.5
163.14813	1.9
165.12819	0.8
171.11656	0.8
173.11925	0.8
173.13268	3.5
175.14856	1.2
177.12772	3.6
187.14883	1.6
195.13797	9.6
213.14932	1.1
224.56261	0.7
243.20996	2.7
251.16426	0.7
253.18237	1.0
261.22141	9.1
267.15961	1.9
269.17487	78.8
270.17902	1.1
277.21741	0.7
293.21082	4.2
298.42065	0.7
317.24698	1.8
335.25800	86.7
336.26254	2.5
367.24738	1.1
428.08722	0.7
437.34155	3.2
439.08569	0.9
455.35425	1.6
473.36621	1.0
511.38181	1.4
529.38904	100.0
530.39349	4.3
547.39886	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	726.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01854	1.2
55.05512	12.3
57.03440	12.2
57.07067	2.9
61.02920	2.8
65.03942	3.1
66.30918	0.5
67.05505	61.0
69.03431	0.7
69.07072	18.3
69.25666	4.6
71.01331	0.7
71.04964	2.4
73.02914	0.9
77.03905	0.6
79.05492	38.4
81.03403	1.5
81.07056	68.1
83.04986	4.6
83.08169	0.9
83.08618	11.7
85.02878	2.4
85.06512	2.4
91.03922	1.2
91.05482	19.4
93.07045	54.6
95.04974	3.2
95.08611	33.5
97.02861	1.4
97.05991	0.7
97.06522	6.9
97.10145	2.0
98.96166	0.5
99.08090	3.3
105.04498	1.4
105.07035	12.0
106.33495	0.7
107.04927	0.6
107.08597	32.9
109.06480	1.6
109.10153	11.8
111.08079	4.9
111.11707	0.9
115.05384	0.6
117.07027	8.2
119.08570	6.7
121.06490	1.0
121.10146	21.6
123.08060	0.6
123.11736	3.9
125.09623	0.9
127.07587	0.6
131.08565	11.2
133.10138	9.3
135.08038	1.0
135.11693	11.0
137.13214	1.0
139.11160	1.6
145.10136	3.6
147.11667	4.9
149.09621	1.5
149.13258	24.8
151.11169	1.3
157.10138	0.7
159.11699	11.7
161.13222	2.9
163.14803	2.4
165.12843	0.6
173.13300	3.1
175.14754	1.1
177.12784	4.5
187.14835	1.8
195.11969	1.1
195.13792	8.8
201.16348	1.1
213.14850	1.3
215.84898	0.6
228.30807	0.6
243.21106	2.6
261.22156	8.3
267.15829	2.8
269.17474	87.8
270.17859	1.3
293.21432	0.7
317.24829	2.0
335.25803	61.1
336.26221	1.5
387.45782	0.6
437.34116	1.7
474.13913	0.7
511.37918	0.8
529.38898	100.0
530.39343	3.7
547.40027	1.9
660.58704	0.6
722.78564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01870	7.5
55.05516	15.9
56.05027	1.7
57.03443	15.5
57.07077	1.7
60.04518	0.9
61.02930	11.2
65.03944	3.2
67.05509	44.2
69.03426	10.0
69.07069	17.6
69.25641	2.0
69.26048	7.9
69.67928	0.9
70.06589	13.4
71.01354	1.3
71.04998	6.3
72.08157	2.1
73.02908	5.4
76.18367	1.1
79.05499	33.2
81.03418	12.8
81.07063	52.5
83.04991	8.4
83.08632	11.0
84.04510	3.1
84.08144	9.0
85.02910	16.8
85.06546	3.2
85.08471	1.7
85.86546	1.0
86.06065	1.5
86.09705	6.2
91.03957	8.1
91.05479	26.5
93.07047	42.1
95.04976	8.9
95.08614	20.2
96.05401	1.0
97.02879	10.9
97.06529	15.9
97.10181	6.0
98.09695	2.5
99.04450	3.4
99.08101	3.7
103.03909	1.5
105.07028	25.6
107.04942	6.9
107.08593	24.4
107.55531	1.1
108.08146	1.2
109.02901	3.2
109.06508	5.1
109.10172	13.2
110.07151	1.5
110.09663	1.1
110.10529	1.1
111.04474	1.6
111.08122	5.2
112.08817	1.1
117.07021	12.4
119.08595	18.4
120.08109	3.1
121.06503	4.0
121.10149	11.8
123.08065	3.6
123.11723	4.8
125.05932	1.2
125.09612	4.0
127.03960	6.6
128.00406	1.1
129.05463	1.8
129.07024	3.5
129.10236	2.7
130.07741	1.5
131.08575	14.1
133.06516	1.7
133.10132	17.7
135.08072	5.5
135.11707	19.0
136.06149	1.7
136.07562	3.3
137.09627	3.2
139.11205	1.3
143.08540	4.3
145.04991	4.1
145.06512	1.3
145.10132	13.8
147.08134	2.1
147.11667	9.9
149.09628	7.2
149.13277	13.9
150.09158	3.3
151.11188	2.6
155.08574	3.6
157.10161	3.7
159.11703	19.1
161.13255	3.6
163.06049	2.2
163.07484	1.4
163.11188	7.2
165.09093	5.8
165.12772	1.9
166.09489	2.5
169.10078	1.3
171.10162	1.5
171.11678	2.4
172.03964	1.4
173.04504	1.9
173.11832	1.7
173.13257	4.4
175.11194	2.0
177.12741	19.9
179.12981	1.1
179.14304	6.5
181.12294	1.9
185.13283	1.4
189.11163	1.9
193.12289	1.8
193.60501	1.2
195.13808	7.0
197.13237	1.6
204.06656	1.7
212.13821	1.2
227.12769	2.3
229.14380	7.0
229.19536	1.2
233.15208	1.6
239.18111	2.5
245.13882	1.3
247.20602	1.4
251.16452	4.7
255.15919	41.0
257.18945	6.2
267.15939	3.4
269.17490	100.0
270.17624	1.5
275.20029	19.4
283.15390	1.9
285.17007	1.2
293.21112	1.5
295.67352	1.1
309.20596	1.8
335.18549	1.3
349.23730	58.4
361.54303	1.2
367.24805	26.2
389.18271	1.6
413.21762	5.4
431.22614	1.9
475.27148	1.5
493.28082	2.3
511.29092	9.3
564.34961	1.4
568.22882	1.8
569.23700	1.8
726.41333	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	725.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26183	0.1
52.43676	0.1
53.03936	0.5
55.01868	0.4
55.05514	1.0
57.03442	1.6
58.06609	0.7
59.04991	0.3
61.02930	1.3
65.03951	0.3
67.05143	0.2
67.05506	5.6
68.05031	0.9
69.03432	3.6
69.07077	1.0
70.06595	11.5
70.65923	0.3
70.66247	0.2
71.01336	0.2
71.04996	2.5
72.08144	0.4
73.02926	0.9
75.04455	0.2
79.05499	0.3
81.03432	1.2
81.07061	1.1
82.06556	0.3
83.04968	0.4
83.07359	0.4
83.08570	0.2
84.08146	3.3
85.02908	7.0
86.06072	0.4
86.09708	0.2
87.04447	0.7
89.11449	0.2
91.04001	0.2
91.05482	0.4
96.08128	0.7
97.02896	1.8
97.08882	0.2
98.09696	100.0
99.04453	0.5
99.10044	0.4
99.92845	0.1
101.02407	0.2
105.71731	0.2
107.08544	0.2
109.02892	0.4
109.10162	1.6
111.04512	0.2
111.10476	1.1
112.11246	1.1
114.05518	0.3
115.03960	0.2
119.04938	0.6
127.03964	0.9
127.04774	0.2
129.05556	0.2
129.10225	0.3
133.04970	0.2
136.07550	0.4
138.12761	0.3
140.14345	42.3
141.14705	0.2
145.04982	0.2
147.04411	4.1
158.04950	0.2
158.06030	0.9
158.15408	2.3
176.36131	0.2
177.29150	0.2
218.60808	0.2
230.08028	0.2
232.55679	0.2
234.99037	0.2
304.19135	0.4
417.23877	4.4
418.23514	0.2
450.24863	0.4
563.29633	4.1
579.28979	1.2
725.34888	74.6
726.35370	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	725.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.6
56.05033	4.2
57.03446	2.5
61.02917	2.9
67.05510	6.0
67.15540	1.6
68.05025	2.1
69.03423	8.2
69.07055	2.7
70.06599	42.6
70.56752	6.2
71.04979	4.8
72.08164	13.9
73.02909	2.0
74.06068	3.3
79.05495	4.4
81.03416	5.0
81.07079	3.2
84.04507	8.3
84.08151	25.4
85.02898	18.1
86.09721	19.8
87.10043	3.2
91.05488	3.9
93.07061	4.8
94.06556	6.9
95.07334	6.1
95.08600	3.4
96.04521	2.5
96.08127	9.2
97.02886	9.4
98.09705	13.7
99.04433	2.7
100.11266	4.0
101.07132	3.3
102.05543	3.5
105.07039	2.4
107.08640	2.1
108.08125	7.9
109.02883	8.3
110.06093	3.1
110.07167	5.1
110.09684	17.2
112.08680	2.4
115.03950	2.7
120.08114	24.0
121.06555	3.2
122.09639	3.8
124.07597	2.7
127.03946	6.7
129.10257	11.0
130.06548	2.9
133.04976	3.0
136.07600	8.2
138.05515	3.3
138.09148	31.7
140.14352	4.6
144.12206	1.9
146.06015	2.3
146.09691	2.8
147.04424	5.6
148.06044	4.6
148.07533	3.9
150.09125	4.6
152.07056	10.6
155.08124	1.8
164.07100	2.8
166.08649	25.6
172.03952	6.0
174.09140	8.0
177.10246	1.9
182.08211	5.7
182.36424	1.8
187.06065	4.2
192.10165	2.9
194.08092	12.6
204.06590	11.0
212.09210	7.0
213.10236	2.3
220.09694	12.5
222.07863	2.0
223.08698	3.5
225.10199	3.8
229.09541	2.1
235.08656	2.2
237.10239	10.2
239.08105	3.1
241.09781	2.2
249.10262	3.9
250.08249	2.7
251.08174	7.9
252.08910	5.7
253.09734	8.5
255.11243	3.6
259.10818	4.2
263.08221	2.4
265.09686	18.6
266.72711	1.9
267.07651	8.6
267.11230	13.8
269.09241	4.3
269.12378	1.8
273.12451	1.9
277.09808	2.9
279.07678	8.1
280.08429	7.7
281.09238	9.5
283.10785	6.7
285.03976	3.5
285.08713	7.3
285.12042	1.9
293.09201	7.8
295.07205	2.8
295.10760	25.7
296.11542	2.4
297.08911	4.1
297.12195	2.2
299.10229	4.1
301.11685	2.6
302.04187	20.6
309.08615	3.5
310.09650	2.4
311.10269	21.7
313.08459	4.3
313.11874	7.5
317.06546	59.6
317.11194	6.8
319.12985	3.0
321.08640	6.1
323.10233	5.8
325.11868	7.5
326.08997	7.5
327.09854	2.9
327.13318	2.1
328.10504	2.3
329.11401	5.7
330.12381	2.6
333.14429	7.1
339.05978	4.1
339.09836	52.8
339.13544	4.0
341.11343	43.2
342.12054	3.7
343.12839	8.7
351.09534	2.7
357.10754	14.9
357.14581	2.6
369.10855	79.9
370.11310	5.9
371.12408	82.2
372.12851	2.8
383.12515	4.2
401.13452	78.7
430.17908	2.7
442.17355	6.7
458.16928	6.3
460.19138	3.2
476.18304	3.8
492.17749	3.1
496.17160	17.3
504.17719	11.8
506.19241	2.7
508.20740	5.4
518.18488	3.0
522.18909	7.3
528.19763	16.5
536.20361	72.7
537.20538	2.3
540.23248	6.5
547.69153	2.2
568.22949	100.0
569.22913	3.9
625.22748	2.7
643.23846	5.2
646.99365	2.3
657.25482	4.2
661.24750	8.2
693.27435	2.8
698.79663	2.4
725.36658	2.4
759.03632	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	725.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03964	0.5
67.05518	0.7
69.56487	2.8
69.68758	0.4
70.06598	1.9
71.11780	0.5
72.08181	0.5
75.82061	0.4
79.05513	1.3
81.03430	0.5
81.07063	0.4
83.05019	0.5
84.08153	1.3
85.02918	0.6
86.09713	0.8
89.03919	1.0
91.05483	1.0
93.07078	0.4
94.06575	1.8
94.77258	0.4
95.05022	0.6
95.07371	0.7
95.40858	0.4
96.08148	2.5
98.09705	5.7
105.06976	0.5
106.06544	0.7
106.16328	0.4
108.08127	2.1
110.06030	0.6
110.09710	2.4
111.12637	0.5
116.05002	2.9
120.04455	0.4
120.08144	2.0
121.02956	0.9
122.06033	4.2
124.07619	4.5
129.10307	0.4
133.91121	0.4
134.05943	0.6
136.07620	2.7
137.04752	2.5
138.05515	1.9
138.09122	2.6
139.06320	0.4
140.07095	0.7
140.14357	2.0
143.61519	0.4
144.03407	0.9
144.04465	9.3
146.06026	1.2
147.04431	2.4
150.05534	0.5
151.06299	1.9
152.07080	80.8
153.07516	1.2
154.08640	0.7
158.15416	0.9
160.03970	1.2
160.07655	0.5
162.05511	3.6
164.07072	0.6
166.08655	25.1
167.05762	0.6
172.03952	51.0
173.04277	0.6
174.05533	0.5
182.08148	18.7
183.08521	0.4
186.09232	0.4
190.05028	5.8
192.06691	0.5
194.08145	100.0
195.08467	1.4
200.09187	4.1
203.11859	0.7
204.06583	94.1
205.06885	1.2
206.08162	0.5
212.09200	90.2
213.10072	1.0
214.08684	1.0
231.11244	0.6
236.09389	0.6
237.10248	0.5
240.19667	1.4
241.09692	2.8
255.11264	2.4
259.10843	7.1
267.11398	0.5
273.12283	2.6
279.11395	1.1
281.09650	0.5
283.10815	4.5
293.09424	0.6
295.83240	0.4
297.12396	1.8
299.13785	1.3
301.11835	9.3
313.11591	0.6
315.13409	3.3
317.61581	0.5
319.12930	7.7
323.10220	3.0
325.11844	13.3
329.15036	1.0
330.37177	0.5
333.14487	12.2
337.13989	2.9
339.13446	1.3
343.12912	1.5
349.14096	0.5
351.15598	3.2
357.14484	22.1
358.14877	0.7
450.24945	2.1
452.09946	0.4
452.17987	0.4
464.18231	0.6
476.18262	0.5
482.18988	0.6
492.17813	1.0
494.19315	1.6
506.19083	0.9
508.20911	3.7
510.18652	0.7
524.20270	3.8
542.21039	0.7
552.23151	0.5
554.21082	0.5
613.26984	0.6
657.25098	1.0
671.26233	0.5
675.26263	0.7
689.28571	0.6
693.27509	0.5
707.28668	0.7
717.18286	0.4
726.37946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09310	0.5
53.03943	1.2
55.01870	0.9
55.05517	2.6
57.03450	2.6
58.88696	0.5
61.02930	6.2
67.05510	9.2
69.03441	3.9
69.07066	2.3
70.06592	0.6
70.46880	0.9
71.01361	0.8
71.04988	0.7
73.02929	3.2
79.05490	4.0
81.03419	2.7
81.07054	5.0
83.04974	0.7
83.08624	1.0
84.08170	0.6
85.02919	5.0
86.09723	0.6
91.03964	3.5
91.05495	3.8
93.07045	3.6
95.04967	1.8
95.08620	2.2
97.02911	3.2
97.06498	0.6
97.10162	0.5
99.04481	0.6
101.02393	1.2
105.07060	2.2
107.08561	2.7
109.02849	0.6
109.06537	1.3
109.10164	7.9
111.08068	0.8
115.03936	0.6
117.07073	0.6
119.08598	2.6
121.06496	0.9
121.10155	1.4
125.09659	0.8
127.03964	1.4
129.07051	0.7
131.08534	0.9
133.10155	1.5
134.63890	0.5
135.08084	0.7
145.04993	0.8
145.10092	0.8
147.11722	1.0
149.09702	0.9
157.10123	0.7
159.11691	0.6
161.13301	0.6
163.11221	0.7
173.11745	1.7
185.04285	0.6
229.14381	1.2
243.06165	0.6
243.08321	2.7
333.20575	1.9
369.77814	0.5
413.17877	9.3
439.19626	0.9
453.20865	0.7
525.35870	0.9
551.28186	5.3
674.26929	3.1
677.12769	0.6
706.29132	1.5
723.39264	100.0
724.39612	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	723.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
53.45995	1.3
55.01877	2.3
55.05517	20.5
57.03429	7.3
57.07058	3.5
65.03946	3.2
67.05509	77.1
69.03425	8.4
69.07080	13.1
69.21650	3.1
69.22053	11.0
71.05001	18.8
73.61832	1.4
79.05499	41.9
81.03429	19.5
81.07063	100.0
83.04984	13.7
83.08614	8.0
85.02901	2.4
85.06531	7.6
89.12420	1.5
91.05489	33.5
93.07054	41.8
93.07642	2.4
95.04967	4.7
95.08612	31.4
97.02903	4.5
97.06528	6.0
97.10162	4.9
98.20784	2.2
99.04470	3.2
105.07042	21.0
107.04944	2.3
107.08616	23.7
109.02875	1.6
109.10152	16.0
111.04443	2.9
111.08067	3.8
112.10078	1.2
116.43787	1.6
117.07024	9.9
119.08583	12.1
121.06555	1.8
121.10149	16.3
123.08042	2.1
123.11751	11.2
127.03944	3.3
129.05481	5.2
129.07024	5.1
131.08611	10.9
133.06541	1.6
133.10143	17.9
135.08057	2.1
135.11685	10.4
143.08530	1.9
145.10124	6.7
147.08095	1.6
147.11664	7.0
149.09618	2.0
149.13254	8.4
151.11177	4.4
151.40332	1.4
154.64084	1.4
157.10139	3.7
159.11661	8.2
161.13260	4.2
163.14772	1.9
166.88655	1.4
169.10121	1.8
169.12209	1.8
171.11755	2.3
173.04468	6.0
173.13335	4.2
177.12764	5.3
183.13808	3.1
185.13277	1.5
187.13304	5.5
187.14847	2.9
190.81206	1.7
195.13835	3.2
199.14832	1.9
201.14886	1.4
227.55635	1.4
229.14380	2.0
243.15846	3.6
257.17468	1.5
261.22195	2.8
269.17590	7.8
278.72021	1.5
333.24323	1.6
335.22058	2.4
335.25851	32.0
339.18011	2.0
369.24475	2.3
387.25583	1.8
413.21902	2.4
445.24512	7.8
461.29117	1.7
503.37341	39.1
504.37372	1.6
505.38794	5.3
517.38678	4.6
529.39154	17.5
553.84528	1.8
561.41571	51.2
562.41809	2.0
673.42694	6.3
705.45758	12.7
723.45178	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	723.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63692	0.1
55.69379	0.1
65.03953	0.1
66.54088	0.1
67.05515	0.1
70.06589	0.3
70.36217	0.2
72.08173	0.1
79.05485	0.2
80.05039	0.1
84.08160	0.2
85.02908	0.2
86.09724	0.2
89.03936	0.1
91.05497	0.1
94.06557	0.2
96.08133	0.1
98.09701	0.1
107.07433	0.1
108.08145	0.5
110.06120	0.1
116.05017	0.4
120.08115	0.2
122.06047	0.6
124.07595	0.3
136.07578	0.6
137.04672	0.1
137.08215	0.1
138.05479	0.3
138.09142	0.8
140.07008	0.2
143.90489	0.1
144.04449	1.2
148.07585	0.1
150.05513	1.5
150.09171	0.4
151.06311	0.2
152.07077	10.3
154.08650	0.3
162.05537	0.4
164.07063	0.2
165.07874	9.4
166.08650	3.9
167.05852	0.1
167.09402	0.6
168.06561	0.1
172.03952	5.2
173.04195	0.1
178.05016	0.1
180.10283	0.1
182.08150	3.8
184.09720	0.2
186.09207	0.1
190.05013	0.3
193.07341	0.3
194.08162	0.1
196.06013	0.1
196.09644	0.1
200.09177	1.8
204.06577	6.5
211.08418	3.0
213.10220	0.2
217.09842	0.2
226.10751	100.0
227.11102	1.3
229.09717	0.5
230.10461	0.5
231.11266	0.2
235.53685	0.1
239.08252	0.1
241.09669	0.2
243.11305	0.2
244.11996	0.2
245.13057	0.1
247.10867	0.1
253.09700	0.1
255.11212	0.1
255.78812	0.1
256.09735	0.2
257.09198	0.1
257.12946	0.3
258.10016	0.2
259.10840	0.3
265.09634	0.1
271.10757	0.2
272.11606	0.3
273.12378	1.0
274.10556	0.1
275.10345	0.2
283.10739	0.1
289.11951	0.6
290.12567	0.2
291.13599	0.2
299.10355	0.2
300.10992	0.4
301.11746	0.3
309.12296	0.3
315.13351	0.6
318.12076	0.4
319.12836	0.1
325.11807	0.1
333.14462	8.9
334.14774	0.2
335.10349	0.1
339.13455	0.5
341.14886	0.7
351.15540	3.2
355.12744	0.1
365.17105	0.5
367.13043	0.3
383.18207	0.2
491.57184	0.1
492.21436	0.4
504.21622	0.5
536.23657	0.3
566.22003	0.3
641.25623	0.1
646.66193	0.1
687.63654	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	723.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	1.0
57.07062	0.4
65.03892	0.5
66.30656	0.4
67.05444	1.7
69.03368	0.7
69.07039	0.5
70.06532	2.3
71.03045	1.0
72.08099	0.5
79.05422	1.8
80.14285	0.4
81.03423	3.1
81.07066	2.3
83.04962	0.4
83.08555	1.4
84.08067	1.3
85.02868	0.9
86.09641	1.3
86.10230	0.4
91.05489	2.2
93.05719	0.6
93.06982	1.3
94.06520	0.9
95.04896	1.9
95.08582	1.0
97.02848	0.6
98.09644	0.7
98.21483	0.6
105.06963	1.8
106.06495	1.0
106.07205	0.4
107.04916	0.7
107.07336	2.1
107.08517	1.6
108.08118	4.5
109.06484	0.8
110.07063	0.5
111.04325	0.4
111.08081	0.5
116.10759	0.4
117.06950	0.8
119.08514	1.5
120.04393	1.0
120.08124	3.0
121.05213	0.6
121.06428	0.8
121.08913	2.5
122.05973	0.6
122.09692	2.2
125.72998	0.5
129.06883	0.4
132.08041	0.7
133.10027	0.6
135.10399	0.5
135.11606	1.2
136.07573	3.1
136.11212	9.0
138.05515	0.8
140.14297	0.4
144.04433	0.5
145.10069	1.0
146.05916	0.9
149.09474	0.5
150.08034	0.7
150.09142	10.3
151.09828	1.2
152.10709	2.5
160.03894	0.9
160.07564	0.5
162.05467	0.6
162.09070	0.7
163.11115	1.4
164.10591	2.6
165.10463	0.4
165.11501	4.5
166.08643	3.0
166.12294	11.3
172.03947	2.4
185.10683	0.7
188.06880	0.5
188.10678	0.6
190.04980	2.3
192.06485	0.7
193.12289	1.1
196.09781	0.5
197.10718	0.8
204.06549	5.2
207.09250	0.6
209.10471	0.5
211.08650	0.6
211.12201	0.8
212.13052	0.6
213.10225	2.3
215.11769	0.7
221.10774	0.5
222.07774	0.6
223.08652	0.8
225.10251	0.6
226.10808	0.5
227.12601	1.9
228.13116	0.7
235.08591	1.4
236.09349	1.0
237.10243	3.6
239.11787	0.6
243.14915	1.2
249.06506	0.5
249.10234	3.0
250.07309	0.7
250.11064	1.0
251.08055	1.5
251.11665	1.8
252.12576	0.5
253.09531	0.7
253.13412	0.7
255.11380	1.0
262.10913	0.6
263.08136	2.4
263.11639	0.9
264.08817	1.7
265.09711	7.6
266.10428	1.3
267.07642	3.8
267.10840	0.5
267.15936	3.4
268.16165	1.3
269.12775	1.0
271.14407	13.7
275.07828	0.5
277.09695	2.9
278.06815	0.5
278.10397	1.2
279.07693	0.7
279.11218	2.2
280.11987	0.8
281.09122	1.0
281.12762	1.3
282.10147	0.8
283.10660	1.5
283.15363	2.0
284.15695	1.3
285.16928	0.7
291.07703	2.9
291.10614	0.6
292.08380	0.5
293.09113	4.4
293.12549	0.9
294.09772	0.6
295.10696	1.4
297.12292	2.5
297.15970	1.4
301.11633	0.5
305.09055	0.9
307.10626	2.2
309.08633	8.2
309.12354	2.3
310.09387	0.9
311.10159	1.7
311.13596	0.7
315.13660	0.5
321.12317	0.6
323.10226	6.1
323.13913	2.7
324.10971	0.6
325.11810	1.7
325.15369	0.6
326.12827	0.8
327.13425	1.0
330.16000	0.8
332.17413	0.7
337.08145	1.6
337.11856	1.8
339.13284	0.9
340.14413	0.7
341.14941	1.0
342.12274	0.5
343.13318	0.6
344.17609	0.9
351.09622	1.0
354.12357	0.9
355.09149	1.1
355.16556	12.4
356.13916	1.0
356.17526	3.7
358.15396	1.4
365.11307	0.6
368.13934	0.6
369.10687	1.2
369.14590	0.6
372.17261	1.1
384.12924	0.7
384.17114	3.1
385.14166	1.0
386.14792	1.4
386.19040	0.9
397.13913	1.3
400.16644	1.5
402.13962	0.6
402.18552	0.8
414.18143	1.4
415.14587	0.9
416.15329	0.8
416.20209	1.0
418.17490	0.7
426.14154	0.8
428.15936	2.5
429.16824	1.5
430.21521	1.2
432.19116	1.4
434.20905	2.4
442.17831	2.6
443.18335	1.7
444.15555	2.3
445.16486	0.6
446.16641	0.8
450.24771	0.9
454.13855	0.5
458.20892	4.3
459.17737	0.9
460.18900	2.6
461.19135	0.6
470.17126	1.3
472.15039	1.5
474.20251	14.6
475.20966	1.0
475.27286	1.3
476.27338	4.4
477.28342	1.2
484.18747	1.0
487.17456	1.1
490.24042	1.0
492.21542	0.7
502.19757	23.1
503.20129	0.9
504.17706	1.3
520.20471	0.7
534.22388	61.8
535.22742	2.6
536.20624	0.7
566.25000	100.0
567.25287	2.8
609.23499	0.7
615.28400	0.7
623.24609	0.7
641.26099	8.1
673.28516	1.0
723.40698	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.05508	0.9
55.21488	0.6
57.07080	21.8
59.05000	0.7
59.56339	0.6
67.05503	0.7
69.03415	0.7
69.07061	2.1
70.63948	1.9
71.08638	43.0
73.02899	1.2
73.06559	2.8
73.55454	0.7
79.05501	1.7
81.07039	0.8
83.08622	0.7
85.09663	1.2
85.10186	21.4
87.03932	1.2
87.04477	23.6
89.06036	100.0
91.05485	11.5
91.07578	0.7
93.07043	4.9
95.04967	2.1
103.05457	1.3
105.07034	3.5
107.04967	3.5
107.08596	3.3
109.06461	0.6
117.07030	2.8
117.09124	1.5
118.07795	1.0
119.04980	2.2
119.08594	4.6
121.06513	17.8
121.10188	0.9
123.08057	1.2
127.14846	2.3
129.07039	0.7
130.08649	1.3
131.07045	12.1
131.08546	1.6
133.08611	68.0
135.08067	5.3
135.11748	1.9
145.10138	1.2
147.08073	9.0
149.09639	5.7
149.13324	0.9
150.06783	2.9
159.11809	0.9
161.09645	1.0
163.11211	3.9
164.08266	1.5
165.09132	6.0
167.10696	1.7
173.09723	0.8
175.09686	7.1
175.11053	1.0
177.09680	1.4
177.11240	26.5
177.12564	1.2
189.12712	0.7
191.10742	2.8
193.12318	1.5
194.09724	0.7
207.13924	1.0
209.11717	3.7
211.13358	2.3
219.12286	2.3
221.13834	7.6
235.13341	3.0
239.14970	0.6
245.19127	1.0
247.20605	14.9
253.14481	1.7
255.15900	1.9
265.16534	2.9
273.22150	5.0
279.16052	1.1
283.17670	1.9
289.21930	0.6
289.25208	1.5
291.23199	28.9
299.18619	0.9
304.21817	0.6
309.19135	2.1
317.24902	4.1
323.18329	0.8
327.20224	0.8
335.25806	8.7
353.21713	1.2
359.20718	0.7
379.28909	0.7
395.90045	0.6
404.34579	0.6
485.35196	0.8
579.33722	2.4
617.43073	1.0
618.71057	0.7
705.48022	12.4
722.50684	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
55.05504	9.6
57.03439	6.0
61.02914	16.8
62.95144	2.9
67.05190	3.2
67.05509	49.3
69.03412	3.5
69.07052	9.4
69.72065	2.8
71.51485	2.7
73.02933	3.4
78.13665	3.5
79.05499	28.9
80.05814	3.6
81.03386	7.7
81.06606	3.0
81.07062	54.8
81.21767	2.8
83.04980	3.9
83.08611	7.9
84.08137	3.2
85.02909	21.2
85.06542	3.5
86.09694	3.2
91.03956	22.8
91.05490	18.1
93.07053	33.9
95.04967	4.3
95.08620	38.6
97.02882	12.6
97.06505	4.3
97.10181	4.0
105.07051	19.1
106.80080	2.9
107.08594	23.4
109.10162	27.5
117.07047	7.3
119.08614	14.7
121.06494	3.3
121.10136	21.5
123.11749	15.1
127.03909	9.6
129.06975	3.2
131.08556	17.1
132.08875	4.4
133.10109	12.8
135.11667	20.6
137.13251	9.6
143.08528	6.2
144.08919	3.2
145.04955	13.0
145.10132	12.3
147.11708	8.6
149.13295	15.6
153.61435	3.0
159.11658	10.8
161.13261	6.3
163.06021	19.7
163.14821	13.1
173.13281	8.9
177.16405	4.6
187.14857	3.8
191.14313	4.2
211.35716	2.9
233.27048	3.0
243.21049	31.9
261.22137	100.0
263.23828	4.0
269.17493	6.6
270.18079	3.2
273.18808	3.8
274.19098	3.8
279.23267	5.8
335.25830	35.8
353.26889	86.1
542.35583	8.8
589.47620	3.1
722.42261	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	721.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01871	0.8
55.05510	2.8
55.48903	0.4
57.03422	1.6
58.97071	0.5
61.02925	4.5
67.05504	9.2
69.03432	3.5
69.07064	2.8
70.06595	0.5
71.01351	0.4
71.05002	1.0
71.52026	0.6
73.02911	2.7
76.84333	0.4
78.76498	0.4
79.05501	3.9
80.17534	0.5
81.03422	2.9
81.07054	5.1
83.04984	0.6
83.08620	1.6
84.08147	0.4
85.02900	4.9
88.07629	0.7
91.03957	2.2
91.05492	3.9
92.10118	0.4
93.07034	3.7
95.04984	1.6
95.08608	2.1
97.02908	4.3
97.06510	0.6
97.10177	1.4
99.04473	0.8
101.02388	1.6
105.07053	3.1
107.04964	0.9
107.08569	2.5
109.02881	1.3
109.06564	0.5
109.10152	6.3
111.08096	0.5
117.07053	1.0
119.08589	2.3
121.06490	0.5
121.10147	0.9
123.04442	0.4
125.09635	1.4
127.03925	1.4
129.05484	0.5
129.07019	0.6
131.08585	1.4
133.10153	1.6
137.09633	0.5
143.08565	0.8
145.10147	1.5
147.11745	0.7
149.02371	0.9
155.10706	0.4
159.11694	0.5
163.11201	0.6
173.11771	1.8
177.12781	0.6
185.04279	0.8
193.04982	1.2
193.12291	1.0
195.09975	1.0
203.05368	0.5
223.13274	1.0
229.14349	1.1
243.08385	2.9
256.26511	1.3
267.15967	0.7
275.20102	1.2
291.19580	2.2
300.29056	0.8
301.08990	0.6
325.45734	0.4
331.18896	1.5
335.25916	0.5
349.23685	0.5
387.21417	0.4
407.78140	0.5
413.17786	11.0
485.20334	0.6
541.35419	1.4
549.26648	5.3
559.36194	0.8
703.40466	1.2
716.03400	0.4
721.37689	100.0
721.57971	2.8
722.37860	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	718.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22465	1.0
55.01873	2.4
55.05516	9.7
57.03439	9.9
57.07077	27.4
67.05505	17.3
68.77979	1.1
69.03429	1.7
69.07075	8.8
69.15727	6.3
69.16158	5.1
69.71618	1.3
71.04964	1.6
71.08251	1.2
71.08635	21.9
74.32433	1.0
79.05492	15.9
81.07053	21.2
82.09986	1.2
83.04989	2.3
83.08612	14.7
85.10188	11.8
89.06033	9.4
90.06352	1.4
91.05479	5.5
93.07045	24.2
95.04959	2.9
95.08608	35.2
97.02885	4.3
97.06526	3.0
97.10172	5.0
99.04453	3.4
103.07589	1.4
105.07034	4.2
107.04939	6.0
107.08588	19.3
109.06516	1.2
109.10154	8.8
111.11651	2.1
113.13315	1.2
117.07014	7.4
119.08575	9.2
121.06551	3.2
121.10119	8.9
123.11735	2.6
125.06006	2.3
133.08621	4.0
133.10133	2.5
135.08070	1.7
135.11690	33.7
139.07553	1.8
145.10133	20.0
153.55473	1.2
163.11180	51.6
170.40308	1.3
173.09679	1.5
181.12260	9.0
185.19783	1.3
203.53319	1.2
223.30328	1.2
227.12782	54.6
235.13373	1.4
239.23801	2.6
257.24811	2.0
259.15497	3.9
274.58847	1.2
283.15387	84.8
284.15710	3.3
313.27359	98.6
337.27219	1.9
521.38373	100.0
522.38477	3.0
622.27148	2.7
718.42053	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	718.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.7
55.01852	1.4
55.05515	7.4
57.03439	6.8
57.07075	22.7
61.02909	1.4
64.22468	0.7
64.80939	0.6
67.05505	11.9
69.03393	0.7
69.07065	8.4
69.37547	0.6
71.04969	0.8
71.08633	18.9
73.02899	1.0
75.04446	0.8
79.05493	10.4
79.59571	0.6
81.03391	1.3
81.07055	15.5
83.04931	2.0
83.08617	10.0
85.02940	0.6
85.06518	0.6
85.10184	9.9
89.05986	1.8
91.05489	3.5
93.07041	15.2
95.04916	2.7
95.08607	28.2
97.02873	2.9
97.06504	0.9
97.10168	3.6
99.04412	1.6
99.11706	1.7
103.05427	0.7
103.07572	1.0
105.07031	3.5
107.04940	3.6
107.08594	11.7
109.06495	1.3
109.10152	6.2
111.04397	0.8
111.08065	0.9
117.07010	3.5
117.09083	0.6
119.08579	3.6
121.06483	3.1
121.10146	5.2
123.11714	2.9
125.05956	2.2
133.10083	2.0
135.08095	1.1
135.11690	28.3
136.06012	0.7
137.13234	1.2
139.07477	0.8
143.08546	1.2
145.10127	15.7
155.41293	0.7
162.07773	0.6
163.11180	30.9
181.12222	5.0
209.11748	0.7
227.12785	33.7
239.23715	1.8
257.24780	2.2
283.15390	40.0
311.25885	1.6
313.27362	100.0
314.27869	1.5
321.90515	0.7
353.73349	0.6
521.38385	81.8
522.38660	3.0
621.26874	1.0
622.28064	0.7
665.42828	1.0
718.41492	5.1
719.43640	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.05517	3.4
57.03433	2.9
57.07076	0.8
61.02935	6.0
67.05511	8.5
67.93615	0.6
69.03442	3.0
69.07072	2.7
71.52022	0.7
71.52463	1.0
72.95463	0.6
73.02924	4.2
78.05248	0.6
79.05489	6.0
80.05811	0.8
81.03413	1.5
81.07060	9.2
82.31401	0.7
83.04986	1.3
83.08624	2.8
85.02890	4.6
90.89834	0.7
91.03957	2.4
91.05496	3.2
92.05823	0.6
93.07047	6.6
94.07392	0.6
95.08622	6.1
95.43320	0.5
97.02886	4.2
97.06514	1.0
97.10156	3.5
98.10521	1.0
101.02385	1.3
105.07040	2.3
107.08595	6.0
109.10172	1.8
117.07015	1.2
119.08611	1.3
121.10161	2.0
123.08076	0.7
125.09655	3.1
127.03919	1.3
131.08562	1.3
133.10158	0.9
135.08084	1.0
135.11693	3.7
145.10141	1.1
153.12721	0.9
162.07817	1.2
166.25027	0.7
189.11234	0.8
203.12856	1.5
221.11545	1.7
243.08441	2.1
259.15399	4.7
260.15903	1.7
261.22171	1.3
295.42255	0.6
335.25824	4.9
336.26047	5.3
439.19394	4.8
519.29480	7.1
519.36426	1.0
520.37085	4.0
717.41797	100.0
718.41980	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	718.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01879	4.3
55.05516	14.5
57.03442	12.3
57.07080	1.1
57.76510	0.6
59.05006	3.7
61.02931	4.5
63.29089	0.5
65.03948	1.4
67.05510	100.0
68.05842	1.0
69.03439	5.3
69.07072	17.2
70.06603	1.1
70.48729	1.9
71.05001	5.6
73.02921	1.8
73.88235	0.6
79.05497	23.4
81.03428	6.8
81.07063	39.0
83.04990	5.5
83.08625	13.8
85.02929	5.6
85.06549	4.1
86.09722	1.0
86.52782	0.5
91.03963	2.2
91.05488	22.2
93.07050	24.2
93.07642	1.2
95.04987	5.2
95.08610	16.4
97.02876	4.2
97.06542	9.0
97.10187	5.7
99.08116	2.3
103.05500	0.6
105.04550	0.7
105.07037	16.6
107.04959	4.4
107.08601	18.2
107.09299	1.0
109.02874	1.2
109.06526	3.3
109.10164	75.4
110.10472	0.6
111.04478	1.4
111.08076	5.2
113.06046	1.0
113.09684	0.9
115.05480	1.0
117.07030	7.4
119.08588	16.4
121.06542	2.6
121.10159	8.3
123.08096	1.8
123.11735	1.9
125.09651	5.1
127.03957	2.6
129.05531	1.0
129.07047	2.6
131.08583	8.7
133.06526	1.0
133.10150	10.1
133.11118	0.9
135.08107	2.6
135.11707	7.9
137.09610	4.4
139.11205	0.8
143.08612	2.0
145.05017	0.6
145.06544	0.8
145.10144	7.4
147.08124	0.6
147.11707	5.2
149.02370	1.3
149.09625	7.1
149.10587	0.6
149.13300	5.8
151.11226	1.2
155.08592	0.7
155.10675	5.2
157.10173	2.0
159.08089	0.8
159.11719	7.1
161.09662	1.6
161.13330	2.2
163.11177	5.4
169.10245	1.1
171.10347	0.9
171.11758	2.6
173.04552	1.0
173.11783	20.8
173.13295	3.6
175.11259	0.8
177.12831	2.7
179.14391	1.4
181.12360	1.8
183.11739	0.9
185.13330	1.3
187.11177	0.6
187.14891	1.1
189.11250	2.8
189.12776	0.7
193.05052	1.2
195.13715	2.8
197.13219	1.3
213.14969	0.7
227.12798	12.7
227.14893	0.8
229.14363	75.5
230.14774	0.9
239.18063	1.9
247.20615	1.4
255.16011	5.1
257.19022	7.3
257.21198	0.7
259.20514	0.9
267.16122	1.9
269.17502	11.8
275.20087	21.1
293.18091	0.7
293.21280	1.9
298.13889	0.6
309.20795	0.8
321.24289	0.8
325.20352	1.3
331.22852	2.2
339.18256	0.6
349.23743	22.2
367.24969	1.9
383.24454	2.2
399.23953	4.4
407.27875	1.9
409.25882	18.9
413.21869	1.4
423.27448	65.1
424.27997	1.6
429.11694	1.0
432.65134	0.6
463.30945	1.8
475.34396	0.8
485.32980	1.4
503.33740	37.5
504.34198	1.0
521.34918	7.6
543.28040	1.1
567.31885	1.6
585.32892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.2
57.07079	30.5
59.04995	1.0
67.05499	2.9
69.07066	5.0
70.28945	0.8
70.81203	2.2
71.08636	29.8
73.02900	0.8
73.06563	10.1
79.05478	2.9
81.07054	3.3
82.25745	0.7
83.08615	3.7
85.10189	18.6
87.04482	8.9
89.06038	100.0
90.62708	0.8
91.05478	1.6
93.07047	2.7
95.08611	2.9
97.10169	5.6
99.11713	2.7
107.07069	1.8
107.08582	0.9
109.10138	1.4
111.11716	3.0
113.13291	1.4
117.09141	6.7
119.43082	0.9
123.79718	0.8
125.13242	2.3
127.14850	1.5
130.08665	3.8
131.07074	4.2
131.98427	0.8
133.08617	52.6
135.10172	1.8
135.11682	0.9
141.16429	1.0
160.08833	1.3
161.11754	3.0
171.00287	0.9
175.09650	2.1
177.11241	25.3
197.22659	2.9
217.12332	1.3
221.13824	6.1
239.14854	1.3
241.25397	1.9
252.26791	1.3
264.26877	10.4
265.16553	2.6
283.17554	1.5
285.27881	8.9
309.19156	1.7
329.30551	4.6
337.27356	1.6
380.19891	2.0
503.30542	3.5
518.49121	2.3
519.39844	1.1
536.50098	1.6
575.50409	0.9
699.52594	5.5
716.56580	5.9
717.41058	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03727	0.3
55.05523	2.2
56.05039	5.3
57.03432	1.2
57.05825	0.4
58.06599	1.0
60.05647	0.9
61.02914	0.4
67.05521	0.7
68.05026	0.8
69.03426	0.7
69.07077	4.9
70.06596	35.0
71.01326	0.4
71.04984	1.6
71.06930	0.4
71.51424	0.4
72.08159	22.4
73.04044	0.4
74.06084	36.6
82.06581	0.4
83.06139	0.3
84.04501	2.7
84.08150	9.1
85.02909	1.7
85.07677	0.7
85.08460	0.4
86.06078	1.0
86.09710	52.1
87.05587	0.6
87.10040	0.6
88.03996	0.4
91.05480	0.5
95.06100	1.1
95.15860	0.3
96.08129	0.6
97.02882	0.4
97.07674	1.2
98.06045	0.3
98.09693	5.9
99.09998	0.3
101.07133	3.7
102.05537	0.4
107.04922	0.3
110.07171	1.2
112.08733	11.0
112.11285	0.3
113.07152	2.1
114.09172	15.3
114.10340	0.7
115.08696	6.7
116.03434	0.4
116.07076	0.3
119.04942	0.8
120.08111	0.9
122.55962	0.3
123.09242	0.3
124.11212	0.4
126.12786	2.2
127.03920	0.4
127.05030	0.3
128.10707	0.4
129.10258	2.2
130.04974	0.3
130.09775	0.5
131.11861	0.6
133.05032	0.3
134.04535	0.9
136.07628	1.0
138.09155	0.5
139.08618	0.3
140.08183	0.5
140.11792	0.4
140.14339	2.8
141.06584	0.3
141.10236	1.3
142.08630	5.3
142.09637	0.5
142.12305	1.6
142.50349	0.3
143.11792	3.3
144.13918	0.3
147.04424	2.5
147.05469	0.4
151.08557	0.3
152.10760	0.4
155.08138	0.4
157.10905	1.0
157.13446	0.3
158.09294	0.3
158.15398	0.7
165.90770	0.3
166.08607	0.4
166.09793	1.4
168.11311	1.9
169.09805	0.4
169.13367	2.2
171.11356	0.8
173.12955	1.1
175.11887	0.6
181.09776	0.4
183.12505	4.4
183.15004	0.4
186.12456	0.4
187.10886	0.5
187.14430	17.0
192.14934	0.6
194.09206	0.4
197.12930	1.1
199.10777	0.8
211.11972	0.9
212.10300	0.4
215.13911	3.2
225.12372	5.6
225.14606	0.4
228.14714	0.4
228.17134	0.7
229.13104	1.8
243.13394	6.7
253.16640	3.6
302.13290	0.4
304.19318	0.4
310.21381	1.6
338.20956	0.7
344.15741	3.1
354.21390	2.1
356.21881	0.4
361.18521	0.4
443.24426	1.1
443.74277	0.4
450.24698	1.7
450.75214	1.1
458.24142	0.4
512.31940	1.9
524.27399	0.4
530.33167	0.5
555.36139	0.6
583.35901	1.4
625.07800	0.4
649.01263	0.6
649.66986	0.3
716.39429	100.0
717.39862	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	716.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	0.7
51.62358	0.4
53.03947	2.8
55.01884	1.7
55.05514	5.5
56.05054	0.6
57.01479	0.4
57.03448	1.6
57.07080	0.5
61.02942	1.1
61.30363	0.4
65.03947	0.7
67.05514	18.4
68.05033	1.9
69.03436	8.6
69.07073	1.6
70.06602	9.6
70.06965	0.8
70.36294	0.5
70.46052	1.3
71.05006	5.2
72.08156	2.5
73.02926	1.4
79.05506	3.3
80.05051	0.5
81.03429	25.4
81.07068	11.8
83.04971	1.0
84.04511	1.8
84.08163	4.5
85.02911	5.8
85.06578	0.7
86.06055	1.0
86.09715	4.4
87.05605	0.4
91.03947	0.7
91.05483	2.9
93.07060	4.4
94.06549	0.6
95.04975	3.9
95.08623	6.1
96.04504	12.1
96.08160	1.0
97.02914	5.8
97.06544	0.4
98.06068	79.2
98.09702	4.5
99.04476	4.2
99.08089	1.0
100.75879	0.4
102.05530	0.5
105.07050	1.3
107.04946	0.5
107.08604	3.2
108.04504	1.2
109.02892	21.7
109.06525	2.4
109.10171	45.4
110.06058	1.5
110.07198	1.4
111.04446	1.6
112.08748	0.5
114.05545	76.4
115.05878	1.3
119.04966	1.6
119.08597	2.8
120.04475	0.5
120.08167	2.6
121.02911	0.7
121.06547	1.1
121.10168	1.3
122.06016	0.7
123.04485	0.5
123.08070	0.5
123.11703	0.6
124.03888	0.6
125.02342	0.5
125.06007	1.7
126.05515	0.6
127.03934	17.3
129.10272	2.2
130.05092	0.5
135.08047	1.2
135.11740	0.4
136.07544	0.9
136.65883	0.5
137.09633	100.0
138.05553	1.0
138.06532	0.6
138.09998	0.9
140.07091	3.6
140.14348	1.7
141.68919	0.4
145.04961	0.9
145.10117	0.5
147.04424	4.3
147.08075	1.1
151.03940	0.7
155.10687	6.8
156.06555	3.4
158.15431	1.0
163.07596	0.6
164.10718	0.6
165.09134	66.8
173.12967	0.8
183.10167	5.8
188.07065	0.9
201.11223	7.7
204.06630	0.8
217.04959	0.5
218.01480	0.4
225.11186	1.1
227.12682	0.8
235.06094	1.0
253.07060	0.8
280.62149	0.5
291.12421	2.1
309.13394	9.4
327.14441	17.9
345.15314	0.9
369.15610	2.3
387.16324	0.6
399.16656	0.7
417.15091	0.6
435.16507	3.0
440.19153	0.7
452.19098	0.7
453.17661	8.9
471.12180	0.8
471.18652	12.4
471.28568	0.6
489.19693	2.4
497.65448	0.4
530.20062	0.6
550.22522	1.8
566.22443	2.8
568.23792	2.6
584.22980	1.9
586.16833	0.5
586.25153	7.5
602.24500	16.8
602.70935	0.7
681.28113	0.6
699.29889	2.5
716.26959	1.1
716.36823	2.0
718.91028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40238	0.6
51.80622	0.6
55.05510	1.0
60.04528	0.6
61.02910	0.7
65.95040	0.6
67.05510	1.1
68.05058	0.7
69.03409	0.6
69.07071	0.6
70.06596	3.6
70.79414	1.1
72.08162	1.3
76.00193	0.5
79.05480	0.8
80.28994	0.6
81.03410	0.7
81.07076	0.7
84.04537	0.7
84.08140	2.8
85.02899	1.5
86.09700	3.2
91.03997	0.6
91.05493	1.0
93.07055	0.9
95.08652	0.9
98.09725	1.1
105.07034	0.9
107.04996	0.7
107.08566	1.0
109.10168	0.8
110.07227	0.7
120.08130	1.0
121.06515	1.1
125.62526	0.6
129.10266	1.9
150.09146	2.3
172.07306	2.9
179.05557	1.6
180.06334	3.8
218.07970	2.0
253.09740	0.7
265.09689	0.9
277.09497	0.9
279.11267	0.6
280.12201	1.3
283.11026	0.8
287.08014	0.9
289.09839	1.5
290.10464	0.8
291.11252	0.7
295.14435	1.1
301.09473	1.1
302.10287	1.5
305.12689	1.0
309.12442	1.1
316.07983	0.8
317.08954	7.4
317.12335	0.9
318.09430	1.0
323.13815	1.9
324.11200	0.8
327.13464	1.0
330.09778	4.0
331.10544	8.1
332.11221	0.9
333.12234	2.2
335.10059	5.7
336.10605	0.9
339.13422	15.0
341.15097	1.1
345.11972	5.7
347.10211	0.6
348.10687	1.7
349.11606	2.0
350.12320	2.5
351.13129	7.9
355.12399	0.7
361.07806	4.3
361.11667	5.4
362.08838	0.9
363.13126	3.7
367.12875	8.9
374.08594	3.5
375.09671	1.4
375.15302	1.0
376.10269	4.9
377.11069	2.4
389.11093	13.3
389.15796	1.1
422.18112	1.3
424.16440	2.1
438.13266	1.2
438.18161	0.9
439.18674	9.9
440.19193	1.1
450.17822	2.7
452.15518	2.3
454.21127	8.5
465.16589	0.7
466.16302	1.3
467.18130	7.8
468.19012	7.7
472.22122	1.2
480.18182	1.1
482.20605	10.4
483.17816	2.8
484.18558	2.3
486.20496	1.3
498.19965	14.2
500.21570	71.2
501.21780	2.3
504.21265	1.0
508.17572	1.1
511.17215	3.5
512.18097	4.8
526.19458	98.9
527.19818	5.9
544.20148	4.2
558.22070	100.0
559.22614	4.5
576.21674	1.5
651.23431	0.7
683.26874	54.1
684.27094	2.9
715.29340	46.8
716.29803	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5507
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
51.02364	0.4
53.03933	1.5
53.04149	0.4
55.05265	0.5
55.05511	6.0
56.05045	3.5
56.35400	0.4
57.07078	3.2
58.06590	0.8
60.04523	2.3
61.02924	0.4
65.03912	0.7
67.04228	0.5
67.05505	12.1
68.05022	1.2
69.03417	1.6
69.07070	6.5
70.06583	2.3
71.08633	2.2
71.23077	0.7
72.04490	0.4
73.89303	0.3
77.03921	0.4
79.05496	10.3
80.05016	3.8
81.03412	0.7
81.05779	1.7
81.07060	10.7
82.06126	0.5
82.06582	6.8
83.04977	0.4
83.08224	0.4
83.08622	4.8
85.02901	2.3
85.10147	0.6
91.05480	8.6
93.05803	0.8
93.07046	8.6
94.06572	19.4
95.04984	1.0
95.07351	8.2
95.08607	9.1
96.08130	5.6
97.02923	0.9
97.06518	0.5
97.10181	2.9
100.07617	0.5
101.88738	0.4
105.07032	5.1
105.76255	0.4
107.07349	0.4
107.08588	4.4
107.27431	0.3
108.08126	3.4
109.10166	4.5
111.11699	0.9
117.06958	0.4
119.08574	5.9
120.15949	0.4
120.58558	0.3
121.08870	0.5
121.09281	0.5
121.10145	5.5
122.09667	2.1
123.11703	0.9
124.11234	0.5
127.03921	0.5
127.44317	0.3
133.10146	3.4
134.09666	0.5
135.10614	0.7
135.11687	3.2
136.11189	0.5
137.13263	0.5
147.11685	1.5
149.13246	0.9
151.14795	0.8
161.13274	1.3
161.77336	0.4
184.20671	0.4
189.16331	0.6
193.19464	0.4
217.19504	0.4
219.20998	0.9
233.22681	3.6
234.22255	0.6
245.22662	5.1
248.23711	0.5
250.25323	8.4
254.24918	0.6
262.25302	100.0
263.23370	0.7
263.25690	1.6
272.25845	5.0
280.26337	5.6
312.25275	0.7
504.47827	6.0
516.47791	31.9
517.48053	0.9
518.49323	5.8
534.48828	19.8
535.49194	0.6
675.52325	0.4
696.53888	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	714.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.7
55.05516	26.6
57.03440	23.4
57.07066	3.1
61.02931	5.3
65.03934	4.8
67.05508	95.3
69.03427	3.6
69.07072	30.5
69.83817	6.6
69.84197	14.4
71.05000	6.7
79.05496	57.8
81.07058	100.0
83.04977	7.0
83.08636	18.8
85.02899	3.1
85.06522	9.0
86.09728	3.4
89.06011	3.8
91.05479	35.4
93.06497	4.7
93.07044	55.4
95.04951	5.9
95.08612	68.6
95.25891	3.2
97.02895	6.0
97.06519	10.8
97.10168	9.3
98.21571	4.0
101.95247	3.2
105.07043	50.0
107.08596	35.1
109.06519	5.3
109.09472	4.3
109.10149	39.3
111.08071	6.2
117.06996	12.1
119.08591	41.7
121.10146	34.7
123.08065	4.5
123.11707	12.2
129.07013	8.0
131.08543	20.9
133.10161	22.7
135.08011	3.4
135.11647	16.1
137.09634	3.9
143.08578	7.5
145.10110	23.1
147.11700	31.6
149.13257	9.4
151.11203	3.6
157.10112	7.9
159.11719	16.6
161.13239	12.6
163.14764	6.0
165.12813	19.4
171.11646	6.6
173.11827	10.1
173.13297	9.1
175.14752	4.7
184.07260	4.2
185.13223	6.4
187.14867	5.7
199.14835	7.2
203.17937	3.0
227.12810	7.9
229.14360	55.2
239.16373	29.3
241.17873	6.6
253.90289	3.7
259.20627	4.8
261.22147	13.5
262.25262	11.5
277.21729	3.6
317.24744	3.5
333.24341	6.1
335.25815	65.5
405.29697	4.0
407.33066	3.9
425.33902	11.1
443.35049	8.6
489.35870	21.4
499.37943	39.5
516.47766	3.7
517.38922	95.5
517.46741	4.8
555.66364	3.3
714.47461	11.4
731.80853	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	713.1569
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
51.02369	0.1
53.03949	1.0
55.01876	1.4
55.05499	0.2
56.05022	0.2
57.03439	1.0
60.04502	0.1
60.05632	0.2
61.02931	0.8
65.03934	0.1
67.01011	0.1
67.01834	0.1
67.05466	0.1
68.05001	0.3
68.99455	0.1
68.99791	1.1
69.03436	5.0
69.59777	0.2
69.60191	0.4
70.06596	1.8
71.01334	0.3
71.05002	0.8
71.06936	0.1
72.08127	0.4
73.02926	1.1
74.06069	0.2
81.03426	6.4
83.01331	0.2
84.04476	0.4
84.08149	1.6
85.02911	8.8
85.07654	0.1
86.06067	0.6
86.09705	0.7
87.00835	4.1
87.04471	0.1
87.05596	0.1
91.03923	0.4
91.05448	0.2
93.03384	0.2
95.04930	0.2
95.06116	0.1
96.08125	0.1
97.02899	3.3
98.09705	0.6
98.21425	0.2
99.03870	0.1
99.04462	1.8
101.02364	0.1
101.07152	0.1
103.03900	0.1
103.22296	0.1
105.01871	2.3
107.04957	0.1
109.02890	5.4
110.07165	0.5
111.00798	0.7
112.08713	0.1
113.07090	0.1
114.05469	0.1
115.03905	0.2
117.01873	0.8
117.06956	0.1
119.04976	0.2
120.08116	0.2
121.02887	0.9
123.04396	0.1
127.03929	7.6
129.01855	0.5
129.10249	0.5
131.04877	0.1
133.06427	0.1
135.04395	0.1
136.07564	0.4
137.02356	2.3
137.03424	0.2
137.05858	0.1
140.14282	0.2
145.04977	2.6
145.06223	0.2
147.02943	0.5
147.04399	0.4
149.02324	0.3
153.01843	2.4
155.08121	0.2
155.11696	0.1
159.02899	3.0
160.05034	0.2
161.05959	0.2
163.03967	0.4
165.00540	0.1
165.01840	1.6
166.02567	0.2
171.02852	0.1
173.05989	0.2
173.13086	0.2
177.05479	0.1
183.02849	0.7
183.04446	0.2
187.03886	0.2
191.03436	0.1
191.14294	0.1
192.07794	0.2
195.02881	0.3
201.05498	1.0
207.02911	0.1
209.10345	0.1
213.03893	0.3
215.03275	0.1
219.02972	0.1
219.06548	0.2
229.05000	3.2
231.05045	1.4
239.03372	0.1
247.06033	0.8
257.04474	2.2
274.04700	0.6
275.05545	0.1
285.03976	1.2
287.05551	0.3
302.03766	0.1
303.05002	100.0
304.05304	1.5
306.90668	0.1
327.04868	0.1
345.06052	0.9
369.06155	0.2
371.07419	0.1
389.08691	0.2
411.07288	0.1
444.83383	0.1
465.10339	14.7
466.10614	0.3
526.26440	0.1
533.09515	0.2
545.27612	0.1
551.10150	0.3
581.97626	0.1
628.82861	0.1
712.35590	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.0
53.03947	2.6
55.01680	0.7
55.01877	8.2
55.05511	17.5
57.03158	0.8
57.03435	16.8
57.07067	2.7
59.05004	1.3
61.02920	3.3
63.65005	0.7
65.03938	2.8
67.05507	67.9
68.05855	0.7
69.03429	2.1
69.07071	19.5
69.36552	3.8
69.36966	2.0
71.01350	1.7
71.04997	4.1
71.08642	0.8
73.02900	1.4
79.05495	51.1
81.03410	3.2
81.07059	52.3
83.04984	17.6
83.08628	9.1
85.02894	3.5
85.06548	4.0
86.41339	0.8
91.05482	24.5
92.05823	1.2
93.07046	65.3
94.07363	1.3
95.04969	4.6
95.08611	41.9
96.08949	1.1
97.02887	1.9
97.06539	9.8
97.10176	7.5
99.04459	1.0
99.08083	2.6
105.04510	1.8
105.07033	13.7
106.07366	0.9
107.04954	1.7
107.08596	43.2
109.06504	1.5
109.10159	16.6
111.04421	0.9
111.08099	4.2
117.07027	6.1
118.16723	0.8
119.08582	13.8
121.06544	1.9
121.10146	17.9
123.08064	0.9
123.11740	5.4
125.09620	1.5
129.45479	0.8
131.08583	7.9
133.10139	12.4
134.10500	1.4
135.08093	1.2
135.11699	48.9
137.09618	1.6
137.13266	1.1
143.08553	1.5
145.10121	13.7
147.04399	0.8
147.11703	5.6
149.13254	4.6
151.11124	0.8
153.12761	10.0
157.10129	0.9
159.11722	5.7
161.09676	0.9
161.13268	3.8
163.11174	5.5
163.14844	1.9
165.12715	1.0
171.11679	0.8
173.13280	2.5
175.14839	1.3
181.10753	1.4
181.12239	13.0
187.14827	2.7
189.11217	1.1
192.60497	0.8
199.13211	1.7
199.14859	1.1
201.16489	0.9
227.12798	1.5
243.21147	3.1
253.14381	3.3
254.14719	1.3
255.15924	81.9
261.22214	10.3
289.25400	1.1
291.23233	1.0
317.24600	2.8
335.25806	85.2
336.26004	3.0
337.26633	0.9
423.32550	3.1
441.34018	1.2
459.34674	1.6
515.37317	100.0
516.37653	3.4
533.38025	2.9
545.37457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01866	1.6
55.05518	9.8
57.03193	0.9
57.03442	10.3
57.07080	1.7
59.05024	0.7
61.02920	1.7
65.03941	3.0
67.05508	52.1
68.05827	0.9
69.03423	1.1
69.06744	0.8
69.07077	10.3
70.81382	0.7
70.81719	1.0
71.04990	2.2
71.08624	1.3
79.05499	28.7
81.03416	1.8
81.07059	37.5
82.07410	1.0
83.04999	3.0
83.08630	4.7
85.02928	1.2
85.06556	2.4
91.05487	80.5
92.05841	0.9
93.07050	31.0
94.07390	0.8
95.04961	5.1
95.08613	28.3
97.02907	0.7
97.06535	2.5
97.10160	2.1
99.08111	1.1
105.04489	0.8
105.07036	36.2
107.04987	1.3
107.08595	16.1
109.06523	1.9
109.10165	13.2
110.10473	0.8
111.08071	1.2
113.09677	0.6
115.05457	0.7
117.07020	5.7
119.03394	1.3
119.08586	9.0
121.10160	13.5
123.08099	0.8
123.11714	3.5
125.09669	0.9
128.06242	1.9
129.07025	1.3
131.08583	9.4
133.10136	89.2
134.10483	1.1
135.08025	1.2
135.11693	9.3
137.05981	1.1
137.09630	1.7
137.13258	1.3
143.08568	6.2
145.10112	3.5
147.11714	3.2
149.09595	1.3
149.13257	3.2
151.11195	4.7
159.08081	0.9
159.11743	2.2
161.09634	12.1
161.13286	2.6
163.11241	1.1
163.14844	1.9
173.13286	2.5
179.10722	1.7
179.14330	1.8
185.13316	0.8
187.14801	1.4
197.11806	3.0
201.16382	0.6
227.12775	0.8
235.13402	1.2
243.21133	2.7
251.12874	2.6
253.14369	57.1
254.14687	0.9
261.22134	7.6
275.20074	1.2
277.14282	0.9
277.21713	1.6
317.24631	2.8
333.24536	0.6
335.25815	100.0
336.26160	2.3
421.31195	1.4
439.32397	0.8
490.36166	1.0
495.34799	0.8
505.35281	0.9
513.35809	79.1
514.36346	2.1
531.36658	2.0
545.38373	4.7
548.40234	1.3
625.44836	1.0
692.44550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01866	1.6
55.05518	9.8
57.03193	0.9
57.03442	10.3
57.07080	1.7
59.05024	0.7
61.02920	1.7
65.03941	3.0
67.05508	52.1
68.05827	0.9
69.03423	1.1
69.06744	0.8
69.07077	10.3
70.81382	0.7
70.81719	1.0
71.04990	2.2
71.08624	1.3
79.05499	28.7
81.03416	1.8
81.07059	37.5
82.07410	1.0
83.04999	3.0
83.08630	4.7
85.02928	1.2
85.06556	2.4
91.05487	80.5
92.05841	0.9
93.07050	31.0
94.07390	0.8
95.04961	5.1
95.08613	28.3
97.02907	0.7
97.06535	2.5
97.10160	2.1
99.08111	1.1
105.04489	0.8
105.07036	36.2
107.04987	1.3
107.08595	16.1
109.06523	1.9
109.10165	13.2
110.10473	0.8
111.08071	1.2
113.09677	0.6
115.05457	0.7
117.07020	5.7
119.03394	1.3
119.08586	9.0
121.10160	13.5
123.08099	0.8
123.11714	3.5
125.09669	0.9
128.06242	1.9
129.07025	1.3
131.08583	9.4
133.10136	89.2
134.10483	1.1
135.08025	1.2
135.11693	9.3
137.05981	1.1
137.09630	1.7
137.13258	1.3
143.08568	6.2
145.10112	3.5
147.11714	3.2
149.09595	1.3
149.13257	3.2
151.11195	4.7
159.08081	0.9
159.11743	2.2
161.09634	12.1
161.13286	2.6
163.11241	1.1
163.14844	1.9
173.13286	2.5
179.10722	1.7
179.14330	1.8
185.13316	0.8
187.14801	1.4
197.11806	3.0
201.16382	0.6
227.12775	0.8
235.13402	1.2
243.21133	2.7
251.12874	2.6
253.14369	57.1
254.14687	0.9
261.22134	7.6
275.20074	1.2
277.14282	0.9
277.21713	1.6
317.24631	2.8
333.24536	0.6
335.25815	100.0
336.26160	2.3
421.31195	1.4
439.32397	0.8
490.36166	1.0
495.34799	0.8
505.35281	0.9
513.35809	79.1
514.36346	2.1
531.36658	2.0
545.38373	4.7
548.40234	1.3
625.44836	1.0
692.44550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.5
53.03937	2.7
55.01857	3.1
55.05518	16.4
56.05033	2.0
57.03432	10.7
57.07063	3.1
61.02929	10.4
67.05510	51.4
69.03421	4.1
69.07077	16.2
70.06579	8.8
71.04979	6.5
71.31844	2.6
72.08099	1.8
73.02909	5.7
79.05076	2.4
79.05499	35.2
81.03413	8.6
81.06605	3.0
81.07063	47.7
83.04967	4.1
83.08617	11.3
84.08119	3.9
85.02921	18.2
85.06538	3.8
86.09741	4.1
91.03957	7.9
91.05487	25.9
93.06488	2.6
93.07050	41.4
95.04953	5.6
95.08607	25.1
97.02908	10.1
97.06519	6.3
97.10197	10.2
99.08109	2.3
105.07038	24.1
106.07407	1.8
107.04965	2.4
107.08607	30.6
109.06511	4.4
109.09489	2.2
109.10165	26.6
111.08096	1.9
117.07016	9.3
119.08573	21.1
120.08033	2.0
121.06535	4.1
121.10162	17.9
123.08112	3.1
123.11678	4.3
125.09621	5.4
127.03910	5.7
129.07001	4.9
131.08578	12.9
133.10150	16.6
135.08023	4.1
135.11687	17.2
136.07616	2.2
139.11160	1.7
143.08562	3.3
145.04947	4.9
145.10104	6.8
147.11699	13.7
149.09598	3.2
149.13293	10.0
151.11142	3.5
155.10692	1.8
157.10149	3.5
159.11688	8.9
161.13264	8.1
163.11194	3.6
163.14803	1.9
165.12727	2.4
171.11662	5.4
173.11839	2.9
173.13258	7.1
175.14780	3.0
177.12704	2.7
179.14247	1.9
185.13179	3.9
187.14868	1.9
189.11203	2.2
193.12201	1.8
195.13683	2.4
197.13306	2.1
199.11342	1.6
199.14836	2.9
227.12653	2.8
229.14305	12.2
230.24783	4.9
241.19456	6.1
259.20624	18.9
267.15854	3.5
269.17484	11.8
277.21658	16.5
281.45767	1.8
333.24136	3.1
351.25305	100.0
352.25732	3.0
369.26340	4.2
423.27438	5.2
463.29742	8.1
477.28467	3.7
495.29434	10.3
513.30334	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	710.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
53.61492	0.7
55.01873	1.7
55.05512	11.3
57.03441	16.0
57.07085	1.3
61.02934	11.0
65.03962	1.6
67.05510	30.4
69.03432	3.0
69.07072	10.1
70.06593	3.6
70.48537	2.9
71.04993	2.6
72.08159	1.1
73.02923	3.0
75.04492	1.0
79.05499	32.6
81.03413	4.2
81.07063	38.6
81.49299	0.9
83.04996	4.0
83.08624	7.0
84.08155	1.8
84.60558	0.9
85.02913	13.8
85.06553	3.4
86.09721	1.8
91.03973	10.4
91.05487	26.7
93.07050	46.5
95.04980	3.7
95.07998	1.5
95.08611	29.8
97.02898	8.2
97.06527	2.9
97.10164	2.6
98.09635	0.9
99.04507	1.1
99.08121	4.0
103.05457	1.2
105.04592	0.9
105.07041	28.2
107.08604	31.0
109.02845	1.0
109.06514	3.9
109.10153	13.3
111.04462	0.9
111.08099	2.6
113.09602	1.2
115.03963	1.0
115.05458	0.9
117.07042	10.1
119.08596	22.9
120.08086	1.0
121.06519	2.8
121.10149	24.0
123.08080	3.2
123.11712	4.2
125.09667	3.1
127.03925	4.3
128.06233	1.5
129.05489	1.8
129.07011	3.8
129.10233	1.2
131.07066	1.2
131.08583	14.5
133.10138	19.1
135.08090	1.5
135.11703	18.9
137.09653	2.5
139.11154	1.2
143.08546	5.4
145.04994	2.9
145.10143	13.8
147.11688	14.8
149.09630	2.4
149.13263	9.7
151.11118	1.0
157.10170	5.9
159.11717	13.4
161.09608	1.6
161.13263	9.1
163.06030	3.7
163.11208	2.2
163.14833	2.4
165.12781	1.2
167.10753	1.3
169.10135	1.4
171.11728	5.4
173.09760	1.0
173.11856	1.7
173.13287	5.8
173.39151	0.8
175.11285	1.0
175.14827	4.1
177.12793	2.5
177.16458	0.9
179.14381	1.4
183.11775	1.2
185.13309	4.9
187.14842	6.8
187.61537	0.8
195.11624	1.0
195.13898	1.2
199.14874	3.3
201.16389	2.9
203.18027	1.2
205.15909	3.0
209.17230	0.8
213.16495	1.6
219.17497	2.9
221.15375	1.0
221.19067	1.2
229.14307	3.0
231.21066	2.7
241.19510	9.0
259.20587	24.4
269.17450	7.2
275.20053	1.0
277.21634	22.1
286.69858	0.9
293.21176	1.5
333.24231	3.9
351.25311	100.0
352.25568	2.5
369.26480	2.7
417.26059	1.0
421.25833	2.3
441.26382	1.1
447.27322	0.9
459.27249	1.6
477.28314	2.6
495.29498	5.9
513.30493	9.5
514.84290	1.1
710.31195	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.3
55.05522	1.0
55.64034	0.2
56.05036	0.4
57.03450	1.3
58.06598	0.7
59.08134	0.2
61.02944	0.9
65.03951	0.3
67.05512	6.6
68.05027	0.5
69.03439	3.7
69.07089	1.1
70.06602	11.8
70.82134	0.5
71.01355	0.3
71.05013	2.4
72.08169	0.4
72.31413	0.2
73.02926	0.6
73.33656	0.2
75.04468	0.2
79.05495	0.3
81.03425	1.0
81.07088	1.1
83.01340	0.2
83.05006	0.3
83.07376	0.3
84.04520	0.3
84.05336	0.2
84.08151	4.3
85.02920	8.0
85.06544	0.2
86.09716	0.6
87.04485	1.0
91.05499	0.8
93.07066	0.2
96.08144	0.7
96.36633	0.2
97.02905	1.9
97.08920	0.2
98.06086	1.2
98.09706	100.0
99.04450	0.5
99.10038	0.8
107.08628	0.3
109.02894	0.7
109.10176	2.0
110.07182	0.3
110.09731	0.2
111.10487	1.2
111.11709	0.3
112.11262	1.2
119.04975	2.1
120.08076	0.3
127.03952	0.8
129.05511	0.4
129.10263	0.6
133.06519	0.3
140.14359	45.0
141.14667	0.5
147.04433	17.2
155.96266	0.2
158.15424	6.4
158.96025	0.2
251.17964	0.2
275.09265	0.4
283.14120	0.2
287.05573	0.3
304.19125	3.3
304.69388	0.5
377.22122	0.8
377.72308	0.4
401.24472	2.5
450.24918	11.6
450.75101	3.1
451.25458	0.3
468.23999	0.4
547.30298	5.6
548.31110	0.2
563.29492	1.3
709.35486	82.8
710.35632	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	709.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.05511	1.2
56.05031	0.4
57.03444	1.4
57.05815	0.2
58.06589	0.5
61.02925	0.9
65.03932	0.3
67.05506	5.0
68.05016	0.7
69.03432	3.0
69.07072	1.2
70.06596	13.8
70.10426	0.7
71.01351	0.3
71.04993	2.5
72.08142	0.7
73.02911	0.7
79.05480	0.5
81.03413	1.0
81.07052	1.1
82.06573	0.4
83.04991	0.5
83.07337	0.4
84.04506	0.4
84.08146	4.2
85.02908	7.5
86.09710	0.5
87.04461	0.7
88.03974	0.2
91.05492	0.3
96.08116	1.2
97.02896	2.3
97.08913	0.4
98.06075	0.4
98.09695	100.0
99.04456	0.5
99.10033	0.7
102.05540	0.2
107.04941	0.2
107.08557	0.2
107.83691	0.2
109.02165	0.2
109.02841	0.9
109.10164	1.6
110.07170	0.3
110.09702	0.4
111.04435	0.3
111.10464	1.1
111.11711	0.2
112.11253	1.4
113.07050	0.2
119.04976	1.2
120.08128	0.3
127.03948	0.9
129.05467	0.3
129.10229	0.8
136.07610	0.3
138.12817	0.2
140.14343	41.9
141.14697	0.4
144.56583	0.2
147.03232	0.4
147.04413	7.1
148.64790	0.2
158.15428	2.2
160.07600	0.4
207.11263	0.2
208.06377	0.2
304.19092	0.7
401.24350	4.1
402.24915	0.2
450.25058	0.4
451.25443	0.3
547.30176	4.7
563.29590	1.0
602.70477	0.2
637.32275	0.2
640.32556	0.2
640.53296	0.4
709.35400	74.6
710.35632	3.3
723.86938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05495	0.2
56.05036	0.2
65.03933	0.5
65.79050	0.2
67.05502	0.5
67.19081	0.2
69.31353	1.4
69.31763	0.4
70.06596	2.4
72.08160	0.7
72.63178	0.2
78.71239	0.2
79.05530	1.1
80.05028	0.6
81.07047	0.3
84.08142	1.5
86.09731	1.0
89.03898	0.6
91.05492	0.3
92.04977	0.3
93.05793	0.3
94.06581	1.8
95.07374	0.3
96.04492	0.3
96.08116	1.1
98.09718	0.5
99.04487	0.2
99.49596	0.2
105.07070	0.3
106.06553	0.4
107.04989	0.3
107.07316	0.5
107.66912	0.2
108.04496	0.5
108.08126	6.2
109.05273	0.5
110.06071	0.5
116.04961	1.7
120.04441	0.4
120.08101	0.9
122.06019	2.5
122.09620	1.4
124.07605	1.1
129.10248	0.6
132.04486	0.2
134.06015	0.6
136.07568	0.7
137.04723	2.0
138.05515	2.5
138.09108	0.4
140.07069	1.3
144.04451	4.7
146.06009	1.9
148.07562	0.4
149.08389	0.2
150.05557	0.4
150.09151	5.1
151.06290	1.5
152.07072	90.8
153.07550	0.8
154.08676	1.0
158.08182	1.1
160.03943	0.7
162.05550	1.7
164.07056	0.6
166.08649	21.8
167.05774	0.4
172.03944	21.1
173.04340	0.3
174.05519	0.5
174.09126	0.3
182.08141	16.9
186.09151	0.4
190.04991	2.8
194.08136	100.0
195.08473	1.2
196.09833	0.4
199.08714	0.2
200.09195	3.1
203.11815	0.6
204.06570	32.6
205.07028	0.3
206.08130	0.2
212.09186	94.2
213.09833	1.3
214.08627	0.7
215.08093	0.4
215.11781	0.3
217.09686	0.3
223.08582	0.2
227.08156	0.2
227.11742	0.4
228.10277	0.3
229.09702	0.4
231.11255	0.4
237.10390	0.3
238.08688	0.4
239.11826	0.3
241.09778	2.5
247.10768	0.2
251.08163	0.2
253.09795	0.3
253.13367	0.4
255.11351	2.2
257.12891	0.3
259.10794	5.9
264.08704	0.2
265.09738	0.5
267.11249	0.3
273.12396	1.5
279.10941	0.2
281.09457	0.4
281.12799	0.9
283.10800	3.7
283.14059	0.5
287.10693	0.3
291.56506	0.2
295.10706	0.4
299.10226	0.2
301.11856	8.5
309.12308	5.7
311.10428	0.3
313.15240	0.3
315.13455	3.0
319.12894	8.2
323.10312	2.2
327.13443	0.8
332.98956	0.2
333.14459	10.7
337.14044	2.0
339.13217	0.6
341.11749	0.4
341.14987	7.3
342.14990	0.2
349.13873	0.6
351.15479	4.3
355.13083	0.2
359.12082	0.3
367.12970	0.3
369.16437	0.3
373.14059	0.3
448.19128	0.5
466.19647	0.4
478.19348	1.2
490.19592	0.6
492.20932	0.9
504.21243	0.3
508.20798	0.8
524.20410	1.2
542.21167	0.3
560.22552	0.4
597.26678	0.3
641.25342	0.7
659.26532	0.6
677.26788	0.3
709.36450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36699	0.2
55.31190	0.2
56.14893	0.2
58.07640	0.2
60.69916	0.2
65.03947	0.2
70.06596	0.6
77.93227	0.2
79.05502	0.4
80.87485	0.2
82.06544	0.2
84.08119	0.5
85.02917	0.3
86.09713	0.5
91.05491	0.3
93.05820	0.2
93.07053	0.8
94.06562	0.7
95.07337	0.7
96.08139	2.1
97.06516	0.2
98.09687	0.5
103.05436	0.3
108.08133	2.1
110.09678	2.9
120.04469	0.7
120.08093	2.5
122.06030	0.7
122.09678	0.6
123.06808	0.2
124.07600	0.7
136.06619	0.4
136.07570	2.4
137.05980	0.4
138.09149	5.0
144.04352	0.2
146.06053	0.4
147.04427	0.3
148.07593	0.9
150.05559	0.2
150.09184	0.5
152.07091	1.0
152.10738	0.4
158.79286	0.2
162.09106	0.3
164.07091	0.5
166.08656	6.0
172.03920	1.4
176.10767	0.3
177.07756	0.4
178.08746	0.3
180.10234	0.4
182.11765	0.3
185.10675	0.2
187.22559	0.2
190.04977	0.3
192.10242	0.3
194.08130	0.5
196.09747	0.2
197.10846	0.4
204.06581	1.8
211.12341	0.3
212.09233	0.3
213.10146	0.4
223.08704	0.4
223.12442	0.4
224.09412	0.3
225.10283	1.1
226.10944	0.2
227.11813	0.5
235.08780	0.5
236.09364	0.8
237.10188	2.5
238.11029	0.6
239.08162	0.5
239.11813	1.0
241.09781	0.8
243.11162	0.2
245.12936	0.4
248.09285	0.6
249.10255	1.8
250.11050	0.6
251.08224	0.9
251.11824	2.0
252.09088	0.4
252.12488	0.5
253.09793	1.7
253.12152	0.2
253.13362	0.3
254.10535	0.4
255.11270	0.6
261.10172	1.1
262.11111	0.4
263.08563	0.2
263.11691	1.2
264.09058	0.2
264.12445	0.2
265.09750	3.5
265.12912	0.3
266.10574	0.8
267.11301	2.5
268.11969	0.3
269.09341	0.3
269.13000	0.6
271.10858	1.0
273.12460	0.4
277.09686	1.0
278.06693	0.2
278.10565	1.5
279.07712	2.1
279.11316	3.9
280.08444	0.4
280.12097	1.3
281.09268	1.5
281.12903	0.9
282.09949	0.4
283.10855	2.9
283.14154	0.3
284.11545	0.3
285.12347	0.9
287.13876	1.7
289.09729	1.9
291.11380	0.8
292.12036	0.3
293.09268	1.1
293.12891	2.4
294.10007	2.2
294.13290	0.4
295.10837	1.5
295.14044	0.3
296.11465	1.1
297.09137	0.3
297.12259	1.1
298.09512	0.5
299.10361	1.2
299.13480	0.3
301.11938	0.3
303.13638	0.3
306.09930	0.5
307.10806	0.9
308.11447	0.5
309.12280	1.5
311.10306	3.2
311.13947	1.2
312.11105	1.2
313.11865	1.4
313.15280	0.3
314.12640	1.0
317.09299	0.3
321.12543	0.6
323.10333	0.8
323.14047	0.7
324.11069	0.9
324.20276	0.2
325.11896	1.5
326.12585	2.6
327.13370	4.5
335.10263	3.0
337.11945	0.7
339.13412	21.2
340.10522	0.8
340.14050	0.7
352.10638	0.4
353.11481	0.8
354.12054	2.5
355.12915	7.0
357.14529	0.8
367.12912	14.1
368.13287	0.6
371.12112	1.1
371.16275	0.8
372.13147	0.3
374.15125	0.3
385.13989	0.4
386.14606	1.5
387.15726	1.6
390.18198	0.2
399.15540	3.3
400.16476	0.3
416.19873	0.2
432.19470	0.3
442.17447	0.3
447.17734	0.3
451.21158	0.5
452.21619	0.3
460.18854	1.0
464.21967	0.6
470.16983	0.4
474.20706	0.3
479.20529	1.7
488.18130	1.1
492.21292	2.8
502.19867	0.7
520.20911	7.3
521.21216	0.4
552.23444	100.0
553.23755	4.2
627.24176	1.0
659.26758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71439	1.0
52.75216	1.0
55.01875	1.9
55.05506	3.6
56.05030	1.3
61.02918	2.3
67.05521	6.1
69.03424	3.2
69.07066	2.5
70.06599	9.1
71.27186	1.2
71.51968	1.5
71.85388	1.1
72.08146	2.5
73.02905	1.3
79.05478	4.9
81.03400	4.0
81.07046	6.7
83.04960	1.8
84.04494	2.7
84.08132	5.4
85.02903	4.4
85.08517	1.3
86.09692	6.1
87.30059	1.2
91.05447	5.5
93.07030	5.0
94.02909	3.3
94.06601	2.1
95.04969	2.5
95.08601	3.7
97.02901	1.9
97.06527	2.2
98.09689	2.0
103.05461	2.2
105.07034	3.4
106.06570	2.1
107.04929	1.3
107.07332	3.8
107.08600	2.8
108.08139	5.9
108.08797	1.0
109.06482	1.4
109.10163	4.8
110.06042	2.8
110.07144	2.3
119.08597	4.3
120.08141	6.5
120.08864	1.2
121.06512	3.6
121.10175	1.8
122.06024	4.3
122.09673	11.0
126.05559	5.9
126.37075	1.1
127.03924	2.2
129.05450	1.1
129.10210	2.4
130.05006	1.5
130.06528	3.6
131.08542	3.8
132.08075	3.8
133.10138	2.3
135.06808	1.7
135.08014	1.3
135.11679	1.3
136.03941	2.7
136.07582	5.4
136.11208	1.7
138.05525	1.9
143.11855	1.4
144.08086	4.9
145.08885	1.6
145.10056	1.9
146.06053	1.8
146.09641	2.6
148.07552	4.7
150.09155	28.1
152.03416	1.6
154.05032	2.9
157.08821	1.6
157.10129	1.3
158.06012	30.1
158.09637	4.8
159.11676	1.5
160.07631	6.2
160.09955	3.5
162.05501	2.3
163.11186	2.2
164.07071	1.3
165.09117	1.2
166.08572	1.8
170.04500	2.1
170.09639	1.4
172.07582	6.1
172.11227	3.1
174.09123	2.6
175.12328	4.7
176.07100	3.1
178.08632	1.6
185.07147	3.6
186.05507	6.5
186.07750	2.3
186.09187	2.2
187.08643	2.9
188.07033	2.0
188.09357	7.1
190.08656	5.2
192.10178	2.6
193.81865	1.2
198.05484	2.1
198.09268	2.3
199.08572	1.7
200.07059	7.0
200.10793	2.0
201.10208	2.4
202.08633	2.3
203.11794	9.9
204.06615	8.5
204.10234	1.5
213.06595	3.3
213.10092	1.5
214.07355	11.9
215.08340	3.0
215.11821	4.8
216.06511	4.2
216.10191	1.9
218.08136	78.3
219.08879	6.0
220.09657	4.3
222.07811	1.3
224.07144	2.3
225.10249	2.7
226.08817	2.3
227.08168	3.7
227.11832	2.0
228.08784	2.9
229.09731	6.3
234.11452	1.3
236.09189	22.0
237.10236	3.3
241.06013	3.5
241.09685	3.6
243.11299	22.3
244.06081	6.6
246.07639	18.9
250.10773	100.0
251.08540	1.5
251.11502	3.3
252.12469	2.4
253.09779	1.7
255.11281	1.6
256.09723	1.8
259.07257	1.7
259.10764	2.2
261.12418	11.1
262.07150	3.8
263.07965	8.4
264.08621	8.8
265.09677	4.0
267.07739	1.6
267.11298	2.0
267.16010	2.1
269.09344	3.9
271.10779	56.8
276.08490	6.4
279.11252	2.0
281.09149	3.4
283.10754	2.5
287.10397	7.3
289.11844	80.7
290.12222	2.7
293.09259	1.9
293.12344	1.5
295.07144	5.7
295.10773	4.7
297.12280	2.6
303.13437	2.4
311.10199	6.5
311.13910	7.1
312.08514	4.0
313.11856	2.0
315.13483	3.6
321.12305	6.4
323.10376	1.8
327.09872	2.4
329.15039	2.4
336.07227	2.0
339.09833	4.0
339.13409	39.9
339.17480	2.1
341.11517	3.0
343.12961	2.2
344.11276	2.3
351.09637	8.8
353.11160	1.8
353.14923	6.5
355.09470	2.3
357.10693	4.7
357.14502	30.2
359.12344	1.9
365.11243	7.5
365.15170	2.2
367.24622	2.1
371.12207	7.4
371.16177	38.8
372.16864	1.9
375.15515	4.2
387.11713	2.8
389.17194	4.0
397.14117	1.3
400.16470	2.0
401.13528	3.9
407.17584	1.8
428.16180	2.6
442.17410	1.6
460.18423	4.4
472.18878	3.1
476.18240	3.8
488.18188	9.6
490.19989	7.1
492.17514	4.5
494.27963	1.3
502.19748	1.4
504.20905	2.6
508.20764	3.8
508.47379	1.4
510.18655	6.6
519.19513	1.6
520.20837	44.2
528.19867	9.7
544.20306	1.3
551.21411	1.6
552.23090	10.8
609.23535	15.3
623.24658	3.3
627.24176	6.1
641.25787	4.6
645.25488	12.0
649.25800	1.3
659.27313	3.1
677.28302	2.7
691.30096	2.1
709.36548	1.6
709.41266	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.7
55.01869	11.7
55.05515	31.8
57.03447	17.5
57.07079	8.1
65.03941	4.6
67.05509	78.3
68.05844	3.8
69.03433	29.9
69.07085	20.4
71.04996	12.2
71.52312	5.3
73.83195	4.3
79.05497	67.4
81.03424	100.0
81.07063	81.6
83.04987	21.6
83.08630	28.6
85.02924	21.6
85.06528	6.4
86.09685	3.7
87.04474	18.5
88.04813	3.2
91.05484	63.9
93.07056	61.2
95.04975	31.0
95.08612	44.2
97.02897	22.9
97.06538	9.8
97.10168	9.5
97.55984	3.0
99.04477	4.8
99.08129	4.6
101.99452	3.2
103.05444	4.3
105.07050	47.6
107.04956	12.3
107.08608	39.0
109.02891	17.5
109.06521	7.8
109.10147	21.9
111.04451	13.5
111.08105	12.6
117.07022	19.3
119.08593	34.0
121.06499	8.8
121.10133	33.2
123.08062	7.5
123.11710	10.5
125.09637	9.0
127.03915	12.4
129.05507	8.4
129.06996	19.7
131.08575	31.7
133.06514	4.2
133.10123	25.6
135.08098	7.1
135.11688	18.2
143.08560	9.1
145.06567	4.3
145.10127	18.2
147.08063	7.1
147.11710	26.8
149.09663	8.0
149.13289	5.1
155.08553	6.5
157.10117	13.8
159.11717	14.1
161.13269	5.7
163.11203	9.2
163.14789	3.6
165.12720	5.0
168.95161	3.7
169.10233	4.9
171.08055	5.0
171.11707	5.9
171.96971	3.9
173.13280	9.2
175.11183	17.7
177.12730	3.3
183.11710	4.3
184.07407	8.4
185.13303	6.2
187.14818	4.4
191.10683	9.5
193.12204	36.0
195.11761	5.4
197.13196	3.6
211.13306	55.8
227.12759	7.6
229.14294	4.2
261.22137	9.5
267.15997	14.1
283.15347	4.4
285.17041	18.3
327.22946	4.1
335.25861	39.6
337.27469	7.0
351.22760	5.5
369.24301	7.5
387.25198	5.9
405.26321	4.2
429.21176	13.0
443.27972	8.0
527.37524	15.7
543.36383	4.5
545.38312	69.2
560.46790	3.7
635.38885	3.8
653.39935	10.5
671.41669	12.9
689.42603	39.1
707.36829	46.7
707.49103	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	707.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.9
55.01868	7.9
55.05518	30.6
57.03444	19.8
57.07063	5.4
61.02905	5.2
63.48474	2.8
65.03934	7.6
65.58311	2.4
67.05508	100.0
69.03427	28.2
69.07066	22.6
70.81268	3.0
70.81609	6.8
71.04979	7.9
71.08626	7.0
73.02924	3.1
79.05065	5.0
79.05496	55.7
81.03424	87.9
81.06592	5.6
81.07058	91.7
82.07420	3.8
83.04985	29.5
83.08616	25.3
85.02909	26.5
85.06541	5.8
87.04447	5.5
89.06025	13.6
91.05489	67.6
92.05798	3.8
93.07042	67.3
95.04972	27.8
95.08613	70.7
97.02895	20.6
97.06538	6.5
97.10165	8.3
99.04442	6.1
99.08067	4.4
105.07039	50.2
107.04955	10.5
107.08598	35.5
109.02880	10.3
109.06516	9.4
109.10162	31.1
111.04443	15.2
111.08067	11.3
117.06989	14.0
119.08586	45.6
120.08955	3.7
121.06451	5.4
121.10157	32.1
123.04428	3.0
123.08051	8.5
123.11707	7.9
125.00049	3.4
125.09668	6.9
127.03916	12.0
129.05482	9.3
129.06972	19.6
131.08577	32.7
133.06462	3.4
133.08620	10.4
133.10130	28.1
135.08080	4.9
135.11703	21.0
137.09628	4.3
142.07857	3.9
143.08594	9.7
145.06432	3.4
145.10135	20.7
147.08063	9.0
147.11708	29.5
149.09601	12.0
149.13264	9.2
151.11166	6.8
153.12701	4.7
155.08574	5.6
157.10158	18.0
159.11719	13.0
161.13261	5.7
163.11200	7.5
165.12686	5.8
167.25757	3.3
169.10106	3.6
171.11710	9.4
173.13266	6.2
175.11229	12.7
177.12773	3.3
179.14261	3.0
181.12228	3.3
183.11678	6.7
185.13292	6.5
187.14799	4.1
189.11244	3.5
193.12221	38.8
195.11761	3.3
199.14848	3.0
211.13269	50.6
211.15045	5.3
220.09027	3.2
227.12823	7.4
229.14288	4.0
235.13113	4.1
261.22076	7.0
265.13800	3.3
267.15955	15.0
275.16846	2.9
277.21634	4.9
283.15631	3.4
285.16977	19.1
292.23654	2.7
335.25815	56.8
355.17429	4.7
369.24313	4.0
385.32248	2.7
413.21649	3.9
429.21185	7.7
435.32419	3.0
527.37366	31.8
545.38306	71.7
546.38367	3.6
653.40918	4.8
671.41547	4.8
688.71655	3.0
689.42578	29.8
707.41919	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	707.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.01870	1.2
55.05511	4.0
57.03433	3.1
57.07081	0.5
61.02932	5.8
62.82984	0.4
65.03940	0.5
67.05507	7.3
69.03432	5.1
69.07074	2.2
71.01375	0.6
71.04991	1.0
71.53017	0.6
73.02914	4.2
79.05498	6.6
81.03421	4.1
81.07059	9.0
83.04991	1.5
83.08612	1.3
85.02907	7.3
85.70458	0.4
87.04478	0.5
91.03960	3.7
91.05473	4.2
93.07050	6.8
95.04977	1.0
95.08617	5.6
97.02905	5.9
97.06474	0.9
97.10168	2.0
99.04475	1.2
101.02390	1.5
103.03873	0.4
105.07037	4.1
107.04971	0.9
107.08599	4.1
109.02889	1.3
109.06559	0.8
109.10162	2.2
111.04465	0.6
111.08059	0.6
117.07040	1.1
119.08559	2.1
121.10172	2.9
123.08041	0.5
123.11752	0.7
125.09654	1.6
127.03908	2.4
129.05533	1.1
129.07054	0.7
131.08589	2.2
133.10141	2.7
135.11674	2.6
143.08601	0.8
145.10112	1.2
147.11716	1.8
149.09659	1.2
149.13292	1.1
157.10161	1.7
159.11711	0.9
161.13315	0.5
165.12743	0.5
171.11641	0.5
173.04541	1.0
173.13257	0.6
174.01324	0.4
175.11235	0.9
189.11275	1.6
203.05376	0.6
211.09564	1.5
227.12706	0.4
243.08478	1.8
261.22318	0.7
267.15918	0.8
329.22607	0.4
335.25891	2.2
351.25467	0.7
429.17212	3.9
519.29193	7.5
527.37451	2.2
545.38531	1.6
610.27649	0.4
653.40302	0.4
671.42206	0.6
689.42792	1.0
707.39752	100.0
708.40161	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	707.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01870	0.9
55.05507	4.0
57.03442	2.8
58.86419	0.5
61.02932	5.6
61.26357	0.5
62.59569	0.6
65.03942	0.8
67.05508	10.3
67.48759	0.5
69.03429	5.2
69.07070	2.2
69.81560	0.6
71.04987	1.3
71.52309	0.6
73.02908	4.2
79.05492	8.0
81.03416	4.5
81.07059	10.3
83.04988	1.8
83.08617	1.8
85.02906	5.6
85.06565	0.7
87.04474	0.8
91.03960	4.1
91.05489	4.9
93.07043	7.9
95.04983	1.8
95.08612	6.0
97.02883	5.4
97.06559	0.9
97.10186	2.6
99.04467	1.1
101.02376	1.3
105.07026	5.0
107.04986	1.4
107.08574	3.8
109.02897	2.0
109.06560	0.7
109.10139	2.8
111.07997	0.6
117.07039	2.0
119.08584	3.9
121.10133	4.1
125.09647	1.8
127.03931	2.3
129.05495	1.0
129.07033	1.3
131.08521	3.0
133.10144	2.6
135.11708	2.5
143.08597	1.0
145.10164	1.4
147.10625	0.6
147.11707	2.2
149.09625	2.2
149.13298	1.0
151.11214	0.8
157.10188	1.7
159.11691	1.1
161.13298	0.7
163.11186	0.8
171.11781	0.5
171.87567	0.5
173.04509	1.7
173.13295	1.0
175.11143	1.2
184.07323	0.6
211.09438	1.6
227.12770	0.7
243.08466	1.9
247.10260	0.6
267.15903	1.2
335.25833	3.8
351.25497	0.5
385.10449	0.6
429.17374	3.6
457.12915	0.6
519.29303	6.6
527.37451	2.1
545.38489	2.3
671.41235	1.1
679.50250	0.7
689.42188	1.1
707.39740	100.0
708.39966	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	707.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96201	0.5
55.05497	1.6
57.07069	0.9
67.05497	2.6
69.03437	0.7
69.07092	0.6
71.08636	0.6
71.41795	0.6
73.02913	2.3
79.05483	2.1
80.12556	0.6
81.03427	1.0
81.07052	2.6
83.05004	0.9
83.08588	0.6
87.04492	2.7
90.23315	0.5
91.05477	1.2
91.54515	0.6
93.07046	2.4
95.08617	1.5
98.20617	0.9
101.44711	0.6
105.06998	0.7
107.08603	0.9
109.02887	0.5
109.10142	0.7
111.02290	0.6
119.08592	0.8
119.17364	0.5
121.06512	0.7
121.10183	0.6
123.11700	0.5
127.03934	0.6
129.06937	0.7
131.08574	0.6
133.10136	0.7
141.71161	0.6
147.11673	0.8
184.07405	1.1
269.32684	0.6
335.26093	1.0
410.83041	0.6
440.23242	0.5
527.37372	0.8
535.26678	0.7
545.38495	1.3
594.34882	0.7
657.69885	0.7
664.14703	0.6
707.37665	100.0
708.38153	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	707.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.9
58.46148	0.6
67.05508	2.4
69.03465	0.7
69.42805	3.5
69.43225	1.3
71.04308	0.6
79.05468	0.9
81.03421	1.0
81.07058	2.6
87.04480	2.0
91.05486	1.3
93.07043	1.8
95.08612	1.8
97.10178	1.0
105.07034	1.0
107.08615	1.1
109.10139	0.9
119.08560	0.7
131.08589	0.7
139.00253	0.7
184.07352	1.3
209.12094	0.8
295.02066	0.7
527.36871	0.7
545.38068	1.3
707.37653	100.0
708.37964	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
57.03442	0.3
67.05491	1.0
69.03413	0.3
69.07049	0.4
69.29398	2.0
70.06598	5.0
71.04998	0.3
71.06956	0.3
72.08138	0.9
79.05485	0.4
81.03404	0.3
82.06583	0.3
84.04501	0.8
84.08146	2.1
85.02895	0.7
86.06065	0.3
86.09708	5.6
87.10025	0.5
87.57339	0.3
91.05476	0.8
93.07048	0.7
94.06551	1.5
95.04991	1.2
95.07319	0.3
96.08111	0.8
96.98287	0.3
97.02876	0.3
97.06551	0.3
98.09693	1.6
101.07125	0.3
106.06545	0.3
108.08126	1.9
110.07162	0.5
110.09685	0.5
112.08733	0.3
116.04974	0.8
119.08588	0.3
120.08114	2.2
122.06033	4.3
122.09673	0.3
124.07601	1.6
129.10219	0.7
132.08072	0.4
134.06029	0.4
135.06770	0.3
136.07579	3.6
138.09158	0.9
140.07083	0.7
140.14354	0.8
144.04451	2.4
146.06004	0.4
147.04419	0.5
148.07631	0.3
150.05525	4.1
150.09126	0.4
152.07053	1.1
159.09183	0.3
160.07642	1.4
162.05476	1.1
164.07101	0.7
166.08669	1.3
168.06578	0.8
172.03935	13.2
173.12910	0.3
174.09099	0.4
182.08110	1.9
183.08995	0.6
184.07593	0.4
185.06839	0.3
185.10852	0.3
186.09190	0.5
187.08664	0.6
188.07074	0.7
190.05009	1.5
194.08116	0.5
195.09315	0.2
196.09700	0.3
200.10768	0.6
201.10234	1.1
201.12132	0.4
203.11836	1.5
204.06569	20.0
209.10594	0.2
210.09167	0.4
211.08665	0.5
213.06458	0.4
213.10275	1.6
214.08659	0.9
214.10892	0.4
215.08162	1.0
215.11821	1.1
216.08829	0.4
217.09689	1.6
217.13239	0.4
218.08076	0.4
225.10329	0.5
227.08136	0.5
227.11807	0.9
228.10365	1.3
229.09731	7.9
230.08266	0.2
230.10460	5.2
231.11255	2.3
232.12057	0.5
235.10783	0.3
237.10263	0.8
239.08179	0.9
239.11803	0.5
240.06662	0.3
240.08858	0.3
241.09630	1.7
243.11304	2.7
244.12045	2.5
245.09206	0.5
245.12883	1.5
247.10818	1.4
249.10097	0.5
251.11848	0.5
253.09619	0.6
254.10495	0.8
255.11295	1.7
256.09656	1.6
257.09262	1.0
257.12827	3.7
258.09988	3.8
259.07083	0.5
259.10809	4.3
260.11667	0.7
261.12387	0.5
264.09042	0.4
265.09717	0.6
266.10562	0.3
267.11377	0.7
271.10764	3.2
272.11557	4.3
273.12357	12.0
274.10669	1.0
274.13162	0.6
275.10263	1.8
277.09726	0.4
278.10437	0.4
279.07925	0.3
279.11273	0.8
282.09982	0.3
283.10818	0.8
285.08643	0.3
285.11984	0.3
287.05518	1.8
287.13968	0.9
288.12363	0.6
289.11850	8.2
290.12509	3.3
291.13660	0.3
293.09344	0.5
294.09900	0.3
295.10709	0.4
297.12280	0.5
299.10382	1.6
300.11057	5.4
301.11844	4.5
303.13382	0.6
304.19107	0.3
305.14972	1.0
315.10019	0.4
315.13446	5.5
316.11896	0.4
317.11426	0.3
318.12201	4.7
319.12903	1.3
323.09924	0.4
325.11810	2.5
326.12546	0.3
327.13437	0.5
333.14450	100.0
334.14722	1.8
339.13464	1.3
339.17926	0.3
342.16037	0.4
343.12915	0.4
350.14432	0.3
351.15509	18.0
352.15762	0.4
355.12759	0.4
357.14453	2.2
370.15402	0.4
372.16907	0.4
384.13266	0.3
397.14145	0.6
402.14392	0.3
434.17099	0.4
444.15356	0.3
448.18719	0.3
450.25104	0.5
450.75345	0.3
460.18573	0.4
462.20117	0.5
472.14938	0.3
490.19757	2.7
492.18265	0.6
504.17633	1.9
518.19165	2.9
519.19525	0.3
550.21863	11.6
551.22418	1.2
568.22827	0.8
613.22742	0.5
625.22656	0.6
639.23883	0.5
655.49237	0.4
657.25183	1.0
675.26617	0.3
698.38794	0.5
698.88434	0.3
706.90546	2.6
707.38971	1.1
708.35205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84458	0.6
55.05510	1.1
56.05039	1.3
60.04492	1.0
61.02924	1.9
67.05509	2.4
68.05026	0.7
69.03429	1.6
69.07063	0.8
70.06592	12.7
71.04971	0.8
71.52161	1.0
72.08165	3.7
74.06070	0.8
78.07850	0.6
79.05496	1.4
80.05008	1.3
81.03407	0.8
81.07072	1.1
82.06580	1.0
84.04510	2.3
84.08140	8.1
84.28490	0.6
85.02897	2.4
86.06062	1.0
86.09713	7.1
91.05513	2.3
93.05790	0.8
93.07045	3.5
94.06563	4.3
95.07341	2.3
96.08120	4.5
97.02898	1.5
97.06528	1.1
98.09694	3.6
101.07133	0.8
103.05424	1.1
104.05323	0.8
107.04945	0.7
108.08121	6.0
110.06076	1.1
110.07157	2.6
110.09686	9.8
115.08643	0.9
119.04932	0.7
120.08121	9.9
121.06487	1.2
122.06060	4.0
122.09708	1.1
123.04489	0.6
129.10275	4.1
130.04980	0.8
134.05957	0.8
136.07591	8.4
138.09149	11.2
140.07101	0.9
140.14433	0.7
141.06671	0.9
145.10214	0.8
147.04417	1.8
148.07590	2.9
150.09100	1.3
152.07117	1.0
160.05190	0.7
162.09140	0.7
163.11163	0.9
164.07014	0.9
166.08656	14.2
167.08235	0.9
209.10779	2.4
221.10733	1.3
223.08687	0.9
225.10239	1.6
235.08650	2.4
236.09489	2.6
237.10223	12.8
239.11870	1.6
247.08821	1.2
249.10243	16.0
250.10921	3.1
251.08180	1.7
251.11909	4.3
252.12637	1.2
253.09798	2.8
255.11243	1.2
261.10196	3.4
263.08188	2.7
263.11707	1.7
264.08908	6.7
265.09741	13.5
265.12875	0.9
265.13510	0.7
266.10431	1.7
267.11310	6.3
269.09314	1.1
276.08899	1.3
277.09723	11.0
278.10501	6.4
279.08008	1.5
279.11264	11.6
279.13977	0.5
280.12198	3.8
281.09204	1.9
281.12756	1.3
283.10834	1.3
289.09583	1.3
291.07867	1.0
291.11273	3.0
292.08704	1.1
292.12051	2.2
293.09262	21.0
293.12839	7.5
294.10001	2.7
295.10931	2.9
297.08780	1.0
297.12329	1.5
304.08469	1.7
305.09290	3.8
306.09955	2.4
307.10730	6.6
309.08667	3.9
309.12396	5.6
310.09485	1.0
310.12943	0.8
311.10358	2.6
311.13873	1.0
312.11066	1.6
313.11816	1.8
314.12912	1.0
315.13742	1.0
319.10800	3.0
321.12451	1.8
323.10269	4.7
324.11133	2.3
325.11902	3.8
326.12781	1.1
327.10123	1.0
327.13525	5.1
328.10693	0.7
328.14359	1.0
329.15161	0.8
330.15991	1.0
333.08737	3.4
335.10349	0.7
335.47449	0.7
337.11789	5.7
338.12787	1.3
339.09515	1.5
339.13425	15.4
340.14352	1.8
341.15152	1.5
342.12384	1.8
342.16220	1.1
343.13037	1.2
344.14072	0.9
344.17740	1.2
351.09741	10.9
353.11328	1.4
353.15393	0.8
354.12268	1.7
354.16281	1.3
355.13031	2.9
356.14047	2.1
357.14581	0.8
358.15524	1.3
359.16360	0.9
365.11349	6.4
366.12195	2.8
367.12881	0.8
369.15079	1.4
370.11752	2.6
370.15872	1.3
371.12399	2.7
374.14883	1.1
382.11716	2.4
383.12259	4.5
384.13248	2.4
385.13998	6.9
397.13980	18.7
398.14908	3.0
400.16672	1.8
402.13776	0.9
402.18387	1.5
413.13882	0.8
416.15826	1.3
418.17685	6.0
426.14447	1.7
428.16025	2.0
432.19333	1.4
442.18228	1.1
444.15393	2.3
446.17108	7.8
454.14267	5.7
460.18680	2.7
472.14856	11.0
473.15356	0.9
474.16797	2.4
477.18982	1.5
478.19540	4.3
481.16879	0.8
486.16592	1.0
490.19662	2.4
492.17422	8.2
504.17569	4.0
518.19165	7.6
519.19995	2.3
524.24078	8.5
526.66406	0.8
536.20349	0.9
550.21887	100.0
551.22601	39.4
552.23157	1.5
568.22937	38.9
569.23199	1.6
607.21991	1.7
611.25146	1.1
625.23022	7.1
639.24677	5.0
643.23779	1.1
657.25635	22.9
658.25385	1.2
675.26392	6.2
700.17096	0.9
707.28656	2.7
707.39600	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45441	3.2
53.03932	13.0
55.01858	7.9
55.05514	31.5
57.03432	17.2
57.07075	14.8
61.02916	6.3
65.03932	5.4
67.05509	99.1
69.03440	29.9
69.07073	24.8
71.04985	7.9
71.08635	25.4
73.02911	4.8
79.05074	5.2
79.05497	71.1
81.03417	54.9
81.06592	5.4
81.07060	99.2
83.05009	15.5
83.08617	20.9
85.02916	20.7
85.06532	4.1
85.10188	20.3
87.04474	27.4
88.35611	3.1
89.06030	77.3
91.05488	69.9
93.07043	76.2
95.04994	21.8
95.08609	58.8
97.02886	21.2
97.06532	16.8
97.10164	9.0
98.09677	3.7
98.21555	5.2
99.04442	10.1
99.08116	4.4
103.05468	6.7
105.07027	56.2
107.04935	14.8
107.08591	41.1
109.02866	13.2
109.06524	13.4
109.10168	43.4
111.04433	16.9
111.08114	5.4
113.06015	5.4
113.09629	3.8
117.07014	28.2
118.06549	4.8
119.04923	3.5
119.08588	44.8
121.06506	33.3
121.10169	31.4
122.06797	3.4
123.04381	3.3
123.08105	3.1
123.11751	6.0
125.06057	3.4
125.09609	10.2
127.03910	14.7
129.05479	4.7
129.06989	12.9
130.08643	3.3
131.07033	7.6
131.08577	36.9
133.06490	4.5
133.08609	40.3
133.10123	35.8
135.08035	11.0
135.11702	26.2
137.09624	8.4
141.06992	4.6
142.07774	3.7
143.08580	17.3
145.06451	7.2
145.10139	27.0
147.08041	19.0
147.11723	19.6
149.09631	12.7
149.13266	10.0
151.11203	8.0
155.08565	11.9
157.06523	3.6
157.10115	12.2
159.08020	4.6
159.11743	17.8
161.09679	5.5
161.13266	9.0
163.11177	13.5
165.09116	8.8
169.10130	6.2
171.11687	13.0
173.09613	10.7
173.11832	5.1
173.13268	11.9
175.09698	5.8
175.11092	6.5
177.11200	13.1
177.12625	5.4
179.10599	3.3
183.11725	6.9
185.13251	7.2
187.14807	6.0
191.10681	7.0
191.14345	4.0
193.12119	3.3
197.13272	5.4
199.14822	5.1
201.12733	4.8
209.11716	36.9
209.13431	5.0
221.13539	4.9
227.12785	10.3
227.16420	10.4
229.14348	6.3
230.15227	8.4
247.20584	13.4
261.22162	5.9
271.20560	3.8
273.22141	8.1
275.19913	11.5
283.15393	10.1
289.21671	4.0
291.23102	19.7
315.23096	4.2
331.22968	3.8
335.25827	9.2
349.23669	3.8
369.24283	7.0
387.25366	4.6
433.30820	5.3
451.31973	13.2
469.33075	12.3
487.33844	5.5
501.35355	8.5
515.36853	3.9
519.36835	9.6
525.35858	23.8
543.36853	100.0
561.37585	12.1
572.62042	3.8
669.39520	12.4
687.40918	23.3
705.40826	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62957	0.7
53.03936	1.8
55.01873	3.6
55.05513	39.4
57.03161	0.7
57.03438	12.3
57.07082	1.7
61.02912	3.3
61.03198	0.7
65.03934	1.2
67.05506	41.6
69.03441	4.5
69.07072	12.1
69.31076	5.2
71.04989	0.9
73.02904	1.2
79.05495	26.6
81.07057	37.6
83.04969	3.3
83.08621	22.6
85.02894	3.5
85.06527	1.0
86.09679	0.7
91.03944	1.3
91.05490	10.5
93.07050	26.1
93.07640	1.6
95.04962	0.9
95.08611	22.2
97.02880	1.5
97.06545	1.3
97.10174	55.7
101.09660	1.4
102.40132	0.7
104.76822	0.7
105.07030	7.8
107.08602	26.7
109.06523	0.9
109.10163	13.2
111.08059	3.1
117.07010	5.2
119.08582	5.7
121.10156	10.5
123.11718	4.3
123.35556	0.7
125.09637	54.5
129.31352	0.7
131.08597	4.0
133.10153	3.9
135.08069	4.9
135.11710	7.0
137.13283	1.2
143.10670	2.3
145.10123	4.0
147.11679	2.8
149.13293	4.8
153.09097	3.6
159.11736	3.6
161.13284	3.0
163.14842	1.7
171.10185	8.1
171.11546	1.3
173.13269	2.6
175.14851	1.2
177.16432	0.9
184.07417	1.1
189.11224	36.3
201.16386	0.8
227.12788	72.4
228.13062	0.8
243.21120	5.8
245.13860	100.0
261.22162	21.4
279.23236	2.8
294.71835	0.8
317.24725	2.9
335.25806	62.7
336.26123	0.9
348.05591	0.8
353.26782	1.5
431.31522	2.8
487.34286	9.0
505.35287	37.7
523.36475	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	702.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01871	4.7
55.05512	44.5
57.03439	12.7
57.07058	1.9
59.04995	1.0
61.02932	4.1
65.03934	1.5
67.05506	49.8
69.03434	6.6
69.07072	13.7
69.99522	1.8
71.04963	1.7
73.02927	1.0
76.08673	0.5
79.05493	37.0
79.54762	0.6
81.03423	0.7
81.07056	45.9
83.04993	3.8
83.08620	30.5
85.02908	3.6
85.06551	1.3
89.06060	0.8
91.03933	1.6
91.05481	14.6
93.07049	34.1
95.04946	2.1
95.08608	30.2
97.02869	1.8
97.06512	1.7
97.10172	60.5
99.08048	0.7
101.09651	1.1
105.04512	0.7
105.07027	9.0
107.08597	32.8
109.06495	1.5
109.10159	15.8
111.08079	3.4
116.93391	0.5
117.07010	4.9
119.08583	7.6
121.06562	1.0
121.10152	15.7
123.08060	0.6
123.11710	5.1
125.09633	56.8
126.09972	0.8
131.08572	7.7
133.08569	0.7
133.10130	6.7
135.08037	7.5
135.11697	9.3
137.09567	0.6
137.13210	2.0
143.10666	2.4
145.10103	4.5
147.11667	3.7
149.13243	5.9
151.11336	0.5
153.09090	3.6
159.11681	4.4
161.13281	3.8
163.11174	0.8
163.14799	4.0
171.10164	6.5
171.11510	0.9
173.13246	4.8
175.14828	1.4
177.12686	0.5
177.16380	1.3
184.07436	0.5
186.05255	0.6
187.14809	1.6
189.11224	40.2
190.11510	0.6
201.16330	0.8
219.17735	0.6
227.12784	73.4
227.20059	2.6
228.13168	0.9
233.22742	0.6
243.21065	6.4
245.13853	100.0
246.14252	0.9
261.22153	29.5
279.23193	2.4
317.24817	4.9
335.25803	94.1
336.26105	1.8
413.30353	1.0
431.31525	2.3
487.34158	8.6
505.35248	66.6
506.35620	1.5
517.39319	0.6
523.36102	3.5
648.75311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
55.77942	0.4
57.07073	6.4
58.06593	2.1
58.47001	0.4
61.02909	0.7
65.03938	4.0
66.35713	0.5
67.05527	1.1
68.47136	0.5
69.03436	1.2
70.06593	19.4
71.08638	2.6
71.52147	0.8
72.08157	1.0
78.91541	0.4
79.05499	1.1
81.07052	1.6
83.09866	0.4
84.08150	1.2
85.02911	0.9
85.10174	0.8
86.09689	1.5
87.68965	0.5
88.07631	18.7
91.05479	1.1
93.07038	1.2
95.08611	1.7
97.02892	0.6
102.09184	12.8
105.07052	1.0
107.08583	0.6
109.10176	0.9
114.03197	0.5
119.08520	0.6
121.02899	1.5
131.08571	0.6
132.10216	1.6
133.06538	0.6
133.10075	0.6
139.03918	1.6
145.10178	0.7
146.11798	2.1
147.04427	1.3
149.02356	55.7
149.03444	4.8
175.03984	1.8
191.03342	0.6
193.04973	28.1
212.23718	1.0
219.06535	1.2
225.05611	1.0
237.07568	4.2
238.25336	0.7
256.26349	43.9
257.26758	0.6
263.09290	0.6
269.04462	0.6
291.19687	0.6
297.03952	1.3
300.28967	7.2
300.32120	0.7
313.07001	0.6
341.06531	4.5
359.07660	2.9
362.23480	0.5
365.23434	0.6
385.09238	10.0
403.10223	10.4
404.11145	0.7
429.11832	19.7
473.14444	11.5
505.31558	0.9
579.48199	0.5
626.82587	0.5
640.35260	1.1
684.37738	0.9
702.38428	100.0
703.38507	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	700.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.5
56.04199	0.4
57.03445	3.7
57.07079	33.5
58.49072	0.3
59.04988	0.3
61.02930	13.8
64.90354	0.3
65.77964	0.3
67.05506	9.9
69.03426	1.7
69.07069	8.0
69.36475	2.5
70.14994	0.3
71.04967	0.5
71.08634	31.3
73.02919	4.7
75.04476	2.1
75.91519	0.3
78.18729	0.3
79.05473	1.1
81.03403	1.0
81.07059	15.8
83.08618	9.5
85.02908	14.6
85.06520	0.5
85.10184	17.8
86.09689	0.5
87.04433	0.3
89.05997	0.7
91.03960	14.3
91.05450	0.3
93.07041	1.1
95.08611	23.2
97.02895	7.5
97.06531	0.4
97.10174	9.9
99.04453	0.8
99.11714	1.5
99.25913	0.4
103.07545	0.4
109.02889	0.6
109.10154	12.1
111.11716	4.3
113.13288	0.6
115.03934	0.8
117.05476	0.3
121.10100	0.4
123.11710	6.1
125.00053	0.4
125.13246	0.7
127.03933	5.5
136.06166	0.6
137.13297	2.5
142.71515	0.3
145.04971	6.6
151.14850	0.8
151.98579	0.3
163.06024	13.6
165.16397	0.6
184.07367	2.1
193.19566	0.3
204.14668	0.3
215.12851	0.4
229.14365	0.4
244.49226	0.3
249.25816	1.3
267.26828	19.5
268.27042	0.5
285.27878	4.0
309.93558	0.4
326.30432	0.5
335.25781	0.8
341.30508	100.0
342.30811	2.2
359.31561	39.2
360.31912	0.8
409.42218	0.4
503.35654	0.5
700.44562	1.3
711.91302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
53.03946	0.3
55.01876	0.8
55.05500	0.4
56.05030	0.9
57.03430	0.8
60.04515	0.8
61.02923	0.9
65.03933	0.5
67.05515	0.3
68.05019	0.4
69.03433	2.0
69.96355	0.4
69.96780	0.9
70.06596	5.8
71.04987	1.4
72.08158	1.5
72.33355	0.3
73.02906	0.5
74.04060	0.2
74.06080	1.1
74.51563	0.2
77.03974	0.3
79.05495	0.6
81.03420	1.8
81.07059	0.8
83.04974	0.2
84.04517	1.6
84.08149	5.7
85.02908	8.2
85.08482	0.4
86.06084	0.5
86.09714	3.0
87.04438	0.3
91.03947	0.5
91.05491	1.4
93.03403	1.0
93.07061	0.3
94.04197	1.6
95.08638	0.3
96.04478	0.3
97.02901	3.0
98.06068	0.3
98.09702	3.4
99.04445	0.5
101.07176	0.4
103.05480	1.2
105.07093	0.2
107.04897	0.3
107.08595	0.5
109.02885	0.6
109.06493	1.0
110.07166	1.2
110.95473	0.3
111.04426	0.5
115.05459	5.4
115.08690	0.3
117.07021	1.6
119.04936	0.5
120.08110	1.3
121.10166	0.4
122.03671	2.7
125.06001	0.9
127.03945	2.0
128.06223	0.7
129.07025	4.3
129.10265	3.2
131.04921	2.4
136.07579	0.6
137.05984	70.8
138.06339	0.7
140.14313	1.5
141.06801	0.3
141.14690	0.3
143.04933	9.9
144.05702	1.2
145.04994	2.6
145.06468	1.5
146.03694	0.4
146.05960	0.3
147.04431	1.0
147.08076	0.5
149.05972	0.4
151.03949	0.7
151.07536	0.8
153.05498	2.5
155.04454	0.2
157.06502	4.6
159.07977	0.3
160.05212	12.2
161.06053	1.7
162.07597	0.4
163.06158	0.6
163.07539	2.0
165.05421	0.5
172.05191	2.3
173.05898	0.8
174.06815	1.6
175.07553	100.0
176.07930	1.0
177.05469	0.6
177.09137	0.6
180.08644	1.2
185.06013	0.4
187.07550	34.5
188.08109	0.5
189.09103	7.7
191.08575	0.4
199.07549	0.4
202.07909	0.3
203.08580	1.3
205.08609	25.4
211.07542	1.2
217.08600	4.1
219.08041	1.4
220.08771	0.3
222.99791	0.3
231.08136	1.6
233.09464	0.3
235.09660	39.7
236.09946	0.5
239.07076	1.3
247.07576	0.9
248.08333	2.0
249.09085	0.3
251.10684	0.6
253.08551	0.3
255.06529	1.2
256.07376	0.3
259.07562	1.0
263.07968	0.4
263.10623	2.1
264.07816	0.4
269.07910	0.3
270.08835	2.2
271.09662	3.5
276.07803	0.8
277.08530	0.5
279.10260	1.9
283.09570	0.9
287.05524	0.3
291.10147	4.9
292.10739	0.3
293.08148	0.7
296.10339	0.6
304.19012	0.5
308.10330	0.4
309.11380	0.7
311.12753	2.4
313.14334	0.4
323.12787	7.4
341.13855	13.2
386.67996	0.3
450.24847	0.8
450.74951	1.0
451.25058	0.4
538.06787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01867	1.4
55.05514	13.0
57.03439	4.4
57.07066	2.1
59.77166	0.4
65.03944	1.6
67.05508	55.3
69.03429	1.0
69.07072	12.1
71.05000	8.5
71.08630	5.0
79.05498	17.4
81.03424	0.6
81.07059	47.1
83.04984	1.9
83.08621	9.8
85.06551	2.2
85.10175	0.5
85.42242	0.5
91.05486	13.0
93.07047	19.8
95.04970	1.6
95.08613	27.5
95.89985	0.5
97.05911	0.6
97.06525	4.9
97.10180	5.9
99.08111	3.4
105.04526	0.8
105.07036	6.9
106.68704	0.5
107.08596	12.2
109.06503	0.7
109.10162	20.0
111.08067	2.4
113.09644	0.7
117.06999	3.2
119.08578	7.0
121.06562	0.5
121.10152	7.1
123.08102	0.8
123.11724	5.3
125.09642	4.7
129.06990	0.6
131.08578	2.4
133.10127	5.9
135.08093	1.1
135.11717	4.6
137.09625	1.4
137.13272	1.4
142.30400	0.5
145.10146	1.1
147.11687	3.0
149.13268	4.5
151.11188	1.7
155.10664	1.3
155.14319	1.9
159.11716	2.0
161.13257	2.7
163.11143	1.1
163.14845	1.7
165.12674	0.6
167.68361	0.6
173.11748	3.3
175.14853	0.8
177.12735	1.2
179.14336	1.3
189.11241	1.3
189.16429	0.6
195.13860	1.7
227.12788	5.9
229.14355	21.8
241.19980	0.6
245.22690	1.2
263.23752	2.1
277.21631	2.2
331.81540	0.6
337.27365	25.2
351.25269	4.7
383.27692	0.6
388.40695	0.5
435.34641	1.5
491.37320	19.3
507.36737	2.2
513.39172	0.8
515.40875	2.3
531.40472	100.0
532.40839	3.4
613.48334	6.7
631.49628	1.0
645.50818	2.3
699.42743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01864	2.3
55.05514	22.3
56.57308	0.6
57.03439	10.1
57.07074	4.4
59.04248	0.8
59.04523	1.1
59.04993	2.8
60.05632	1.3
65.03922	2.4
67.05508	85.2
69.03423	1.7
69.07072	19.6
71.04998	22.0
71.08638	9.0
72.03858	0.6
79.05497	17.3
81.03445	1.1
81.07061	54.9
83.04986	2.7
83.08158	1.2
83.08622	15.6
85.06535	3.0
85.10197	1.0
91.05485	13.9
93.07052	21.7
95.04962	3.0
95.08612	36.8
97.06525	4.3
97.10170	10.5
98.20721	1.5
99.08104	4.7
105.07036	12.1
105.57256	0.7
107.08598	14.5
109.06546	1.8
109.10159	59.7
111.08105	3.8
111.11716	1.0
113.64691	0.7
117.07018	2.5
119.08585	10.9
121.10155	7.7
123.08073	2.2
123.11710	7.4
125.09639	6.0
127.11205	0.7
129.06943	0.8
131.08574	2.4
133.10150	6.9
135.08029	2.1
135.11699	5.3
137.09596	3.2
137.13277	2.2
143.08534	1.1
145.10114	2.5
145.20135	0.7
147.11682	3.3
149.13316	3.9
151.11165	3.2
155.10715	4.1
155.14276	8.1
157.10092	0.9
159.11694	1.7
161.12004	0.7
161.13193	3.9
163.11151	1.2
163.14821	2.7
171.11723	1.0
173.11761	15.5
173.13226	1.6
175.14812	2.6
177.12721	0.8
179.14314	3.4
185.87750	0.7
189.11211	3.0
189.16328	1.3
227.12788	19.5
229.03082	0.8
229.14360	100.0
230.14719	0.8
245.22614	2.4
260.23801	0.8
263.23648	4.6
267.15927	0.8
269.17419	3.2
277.21637	5.4
311.29462	3.1
318.44916	0.8
331.26364	2.3
337.27390	78.2
338.27734	2.1
339.28741	1.1
351.25320	11.2
383.27496	0.9
473.36935	0.8
491.37335	57.8
492.37683	1.6
507.37015	1.4
509.38522	1.7
515.40814	2.4
531.40521	24.9
580.97467	0.8
613.48212	11.2
631.49072	1.9
645.50073	2.0
699.51239	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.6
55.01875	7.1
55.05513	36.7
57.03441	13.2
57.07061	4.3
59.05009	0.9
65.03951	4.8
67.05507	94.8
69.03423	3.1
69.07072	29.9
69.46974	7.8
71.04995	7.6
71.08634	21.3
73.06533	0.9
79.05495	64.3
81.03407	8.4
81.07057	100.0
82.41952	1.0
83.04979	15.4
83.08620	22.6
85.06547	5.4
85.10246	1.0
91.04897	2.0
91.05482	51.1
93.07047	74.8
95.04974	17.7
95.08608	47.7
97.06529	15.7
97.10175	9.9
99.08092	19.5
100.97205	0.9
103.03880	1.0
103.05464	1.6
105.04523	2.2
105.07038	37.8
107.04966	4.3
107.08597	41.6
109.06499	6.8
109.10166	15.5
111.08089	7.9
113.09646	3.1
115.05441	2.1
117.07018	18.0
119.08586	21.1
121.06519	4.5
121.10156	20.2
123.08095	3.5
123.11724	6.0
125.09644	7.0
127.07528	1.1
128.06197	1.5
129.07022	8.2
131.08580	20.1
133.06473	1.8
133.10143	24.6
135.08028	3.9
135.11697	16.0
137.09615	3.6
137.13252	2.3
139.11162	5.2
141.07007	1.2
143.08575	7.9
144.09418	1.2
145.10110	11.1
147.08080	1.3
147.11690	13.2
149.09628	3.3
149.13260	21.4
149.86020	1.0
151.11186	23.3
151.14819	1.0
153.12726	1.0
155.08575	3.5
156.33362	1.1
157.10127	6.0
159.11705	15.9
161.09663	1.9
161.13258	10.4
163.11218	12.7
163.14851	3.0
165.12762	4.1
169.10135	3.5
170.10939	1.1
171.11684	6.3
173.11836	2.3
173.13295	3.6
175.11237	1.0
175.14839	3.6
177.12801	6.4
179.14253	6.7
183.11722	2.1
185.13278	3.7
187.14864	2.1
189.11232	3.5
189.16345	1.0
191.14343	2.0
195.11935	1.8
195.13815	12.6
197.13341	2.1
199.14787	2.4
201.16353	1.3
203.14413	1.1
209.13419	1.4
213.14877	2.3
215.17819	1.2
217.19513	1.4
219.17555	1.0
227.12717	6.6
229.14316	2.0
231.20992	3.0
233.15443	1.2
237.16360	1.1
241.19548	4.4
249.02953	1.1
249.22087	2.4
251.16507	3.4
253.18071	1.3
259.20523	8.1
267.15826	2.0
269.17480	48.0
277.21631	25.0
293.17743	1.1
293.21164	1.1
295.22559	2.8
333.24249	2.9
351.25299	37.0
357.24203	1.2
367.24860	3.3
369.26480	3.4
371.25748	1.2
389.27011	1.3
423.27249	1.4
431.27762	2.0
435.32242	2.6
445.29422	3.6
447.31161	3.4
449.28922	1.1
453.33728	2.6
461.28604	1.3
463.30545	55.3
464.31079	1.8
466.69901	1.0
471.34827	2.1
505.35367	1.3
517.39093	1.1
527.37164	4.7
545.38416	39.7
563.39264	7.3
627.45874	3.2
645.46576	1.7
699.45105	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.7
53.03941	6.1
55.01884	7.5
55.05515	37.2
57.03440	12.8
57.07075	7.9
61.11724	1.1
65.03937	4.9
67.05508	89.5
69.03426	2.6
69.07073	29.1
71.04993	6.1
71.08634	25.9
77.03916	2.2
79.05497	66.3
81.03424	6.4
81.07060	100.0
83.04989	16.2
83.08622	25.9
85.02902	2.1
85.06531	4.7
85.10162	2.8
91.05484	57.6
93.07048	79.1
95.04978	19.2
95.08610	55.3
96.92719	1.4
97.06540	15.1
97.10168	11.9
99.08099	23.5
104.90791	1.2
105.04521	3.3
105.07033	39.2
107.04967	3.3
107.08601	43.6
109.06516	9.4
109.10167	19.4
111.08074	8.3
113.09637	3.5
115.05516	1.7
117.07030	19.3
119.08585	26.0
119.53148	1.0
121.06526	3.9
121.10158	25.2
123.08088	4.4
123.11743	6.3
125.09649	9.8
128.06215	1.6
129.07016	6.8
130.07796	1.2
131.08582	20.5
133.10139	24.3
135.08057	3.7
135.11697	15.3
137.09621	2.1
137.13249	2.4
139.11218	6.1
141.07013	2.2
141.12755	1.7
142.07768	1.7
143.08568	8.1
145.10127	11.5
147.08064	2.6
147.11708	15.8
149.09631	4.2
149.13263	21.7
151.11186	27.2
151.14809	1.2
153.12711	1.6
155.08569	2.2
157.10117	7.3
159.11708	14.9
161.09645	1.5
161.13252	14.1
163.11203	14.9
163.14879	3.0
165.12772	5.8
167.10756	1.7
169.10201	2.7
169.12175	1.5
171.11717	6.3
173.11832	1.4
173.13249	4.7
175.11189	2.1
175.14854	3.7
177.12746	7.6
179.14323	8.5
181.10165	1.5
181.12126	1.4
183.11635	1.9
185.13278	5.1
187.14857	2.2
189.11229	4.4
189.12740	1.7
195.11909	1.8
195.13791	11.1
197.13194	1.3
199.14870	3.4
201.16342	2.3
211.14870	1.6
213.14784	1.8
213.16582	1.6
215.17979	1.6
221.15239	1.5
227.12791	14.4
229.14018	2.1
231.21065	3.4
233.15479	1.3
241.19508	4.1
245.13860	1.3
249.22185	1.4
251.16490	3.5
253.14192	1.3
253.18059	3.1
255.15773	1.6
259.17160	0.9
259.18192	1.2
259.20551	9.2
261.22241	1.8
267.15909	2.3
269.17490	45.9
270.17728	1.5
277.21637	31.4
293.17340	1.2
293.20798	1.4
295.22656	2.7
317.24652	1.7
323.26093	1.5
333.24191	3.9
335.25687	2.0
341.24631	2.0
351.25317	41.2
355.26709	1.6
367.24887	3.1
369.26480	3.2
371.25818	2.0
389.26700	1.4
417.30969	1.7
423.27209	1.4
431.27890	1.9
435.32602	2.7
445.29596	7.1
447.31125	3.9
449.28473	1.8
453.33710	4.1
463.30579	43.5
471.34711	3.2
479.30023	1.5
489.35867	2.3
501.35699	1.6
517.38989	3.4
521.34613	1.6
527.37238	8.6
529.38873	2.7
545.38397	56.2
563.39679	6.7
627.46277	4.1
645.46765	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16169	0.3
53.03934	1.0
55.01856	0.8
55.05502	0.8
57.03431	0.5
61.02927	0.4
65.03937	1.4
65.43166	0.3
67.05499	2.4
68.05014	0.8
68.33453	0.3
69.03432	3.7
69.07063	0.6
69.28435	2.5
69.28831	0.4
70.06595	12.1
71.04996	0.8
71.24496	0.3
72.08180	0.5
73.02901	0.9
81.03421	4.3
81.07050	0.3
83.04974	1.3
84.08145	1.9
85.02907	7.6
85.67180	0.3
86.09708	0.5
87.00823	2.6
91.03967	0.4
91.05480	6.6
96.08120	0.9
97.02892	2.8
98.09695	100.0
99.04419	1.8
99.10013	0.9
101.61552	0.3
105.01871	1.2
105.69672	0.3
107.04954	0.7
109.02894	4.1
109.10136	0.6
111.04423	0.6
111.10471	0.9
112.11246	0.9
115.03947	0.5
117.01904	0.4
117.05241	0.3
119.04947	16.8
127.03929	6.5
129.01811	0.3
129.05519	0.4
140.14343	31.0
141.14647	0.4
142.46495	0.3
145.05003	2.0
147.04411	78.2
148.04755	0.9
158.15408	8.3
159.02902	1.6
187.06067	1.3
201.05507	1.0
205.07063	0.4
222.58438	0.4
231.05098	0.6
247.35793	0.3
275.09140	3.2
275.12024	0.4
304.19089	8.4
324.08835	0.3
332.53497	0.3
450.24982	4.9
466.14780	0.3
543.63782	0.3
654.31250	11.4
669.88464	0.4
698.30176	73.2
699.30566	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	697.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.4
55.01865	4.2
55.05515	32.3
57.03434	17.5
57.07074	5.0
59.04974	2.4
60.13054	2.3
65.03931	3.3
65.45525	2.6
67.05508	78.1
68.05837	2.3
69.03425	2.6
69.07069	27.1
70.96095	3.1
70.96476	3.9
71.04980	5.3
71.08618	4.8
77.03928	3.0
79.05495	52.6
81.03416	6.0
81.07057	100.0
82.07412	3.8
83.04971	5.9
83.08617	15.0
85.02899	3.2
85.06543	5.9
89.65961	2.8
91.05486	48.6
93.07044	69.4
95.04967	9.6
95.08611	62.7
97.06536	5.8
97.10168	7.0
98.03852	2.7
99.08098	4.4
105.07035	55.5
107.08598	44.6
109.06564	2.9
109.10165	24.2
110.10466	2.6
111.08088	3.6
113.50455	2.6
115.05424	3.0
117.07018	13.9
119.08587	41.0
121.10152	32.5
123.08125	3.7
123.11699	8.3
125.09605	3.9
127.03906	3.4
129.06990	6.1
131.08569	22.3
133.10139	27.4
135.11679	17.0
137.09668	2.6
137.13306	3.7
143.08565	8.1
145.10110	24.7
147.11700	30.4
149.09642	2.6
149.13257	10.5
155.08531	4.3
157.10120	9.4
159.11732	20.8
160.12366	2.3
161.13261	10.7
163.11131	3.6
163.14900	3.3
165.09138	2.3
165.12805	9.1
169.10094	4.7
171.11681	10.0
173.11961	2.5
173.13223	11.9
175.14793	4.6
183.11708	5.3
185.13277	7.4
187.14835	3.2
197.13336	3.3
199.14874	3.3
201.16273	5.4
203.14349	2.4
209.13274	3.4
211.14825	3.2
221.15356	3.4
223.14836	2.6
228.13013	2.7
231.17342	2.4
239.16292	15.4
241.17809	4.7
259.20523	5.8
261.22034	2.7
273.22226	2.7
275.08719	2.6
275.20102	3.8
277.21878	3.3
287.05453	16.5
287.23489	3.4
301.25336	3.4
327.26746	3.7
333.24081	3.5
335.25781	26.3
388.75339	2.7
407.32919	4.9
420.60248	2.6
425.34171	18.1
443.35205	9.2
499.37762	26.8
517.38910	63.8
697.42401	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	698.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55439	0.3
53.03950	1.4
55.01854	0.8
55.05516	0.5
57.03428	0.8
58.06580	0.4
61.02916	0.5
65.03929	1.2
67.05497	1.5
69.03435	5.8
69.03782	0.6
69.07069	0.3
69.15932	2.5
69.16193	0.5
70.06596	6.5
71.04993	1.7
71.60970	0.3
73.02911	1.0
81.03425	6.2
81.07036	0.4
83.04962	1.0
84.08129	0.8
85.02904	10.2
86.09721	0.3
87.00830	3.4
91.05488	10.1
96.08128	0.6
97.02898	4.8
98.09698	59.5
99.04458	2.7
105.01875	2.3
107.04957	0.7
109.02891	6.3
109.10158	0.5
111.04425	0.5
111.10442	0.9
112.11258	0.4
115.03960	0.4
117.01855	0.6
119.04948	24.6
127.03921	8.3
129.01852	0.6
140.14348	25.3
145.04971	2.0
147.04416	100.0
148.04739	1.2
158.15413	36.4
159.02875	2.6
164.80005	0.3
187.06052	1.6
194.38268	0.3
201.05528	0.8
205.06958	0.4
231.05009	0.7
270.45490	0.3
275.09155	1.7
293.47311	0.3
304.19086	47.2
305.19528	1.2
305.60165	0.3
337.17740	0.3
362.01428	0.3
450.24951	1.9
532.85547	0.3
654.20178	0.5
654.31165	11.4
698.30182	41.6
699.30261	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	697.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82431	1.0
52.86934	1.0
53.03947	2.0
55.05506	5.4
57.03423	2.2
57.07074	1.2
61.02927	8.0
66.25775	1.2
67.05504	17.1
69.03438	5.8
69.07058	4.4
70.06573	1.6
71.04995	2.4
71.14542	1.1
73.02901	4.0
79.05479	5.0
81.03413	5.8
81.07072	11.0
81.44786	1.3
82.47108	1.3
83.04961	1.8
83.08618	3.7
84.04498	1.7
85.02906	10.4
85.06557	1.9
88.24265	1.1
91.03958	5.9
91.05491	6.1
93.07051	10.7
94.07368	1.5
95.04979	3.0
95.08617	7.6
97.02895	8.2
97.06510	2.5
97.10155	1.7
99.04461	2.2
101.02396	3.6
105.07034	7.3
106.49650	1.3
107.08608	6.5
109.02882	1.6
109.06557	1.7
109.10154	16.7
117.07047	1.8
119.08599	8.1
121.10158	6.5
123.08092	2.4
124.71406	1.2
125.09625	1.6
127.03936	4.1
129.07101	2.1
131.08559	4.4
133.10120	6.1
135.08090	1.8
135.11678	2.7
137.09639	1.5
139.11218	1.4
142.07684	1.7
143.08594	3.8
145.04965	1.8
145.10129	3.0
145.47958	1.3
147.08060	1.7
147.11690	2.0
149.09584	1.9
151.07585	2.2
155.10643	1.8
157.10161	2.5
159.08052	1.6
159.11774	2.3
163.11165	2.0
167.10727	5.8
173.11771	4.5
173.13231	2.5
181.12230	2.2
183.11748	1.5
185.04222	1.7
188.76440	1.4
203.05228	1.9
207.13812	1.4
221.11517	1.7
221.15373	3.3
225.86414	1.2
229.14384	2.2
233.13152	1.4
233.15367	2.8
235.13004	1.7
243.08463	3.5
247.16893	1.4
251.12708	2.0
287.05515	17.5
301.09009	7.0
315.10538	2.1
371.16821	3.1
373.11157	2.5
385.18680	2.0
387.12573	2.3
389.26947	1.4
413.17886	18.3
425.21707	2.5
429.17615	1.9
443.18750	1.7
449.10675	2.3
453.20993	6.5
463.26697	2.0
484.22537	1.9
485.19931	8.4
497.23700	1.7
498.84451	1.3
499.21393	2.5
519.29742	1.4
541.26141	3.3
567.31476	19.7
596.32117	8.9
625.31982	100.0
626.32568	2.5
628.30518	4.8
651.33307	7.4
653.34979	1.6
679.43793	1.7
697.33966	53.2
697.44336	3.8
698.34460	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.16
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
51.02382	0.1
53.03953	1.1
55.01873	1.3
55.05508	0.1
56.05037	0.1
57.03441	1.1
59.05017	0.1
60.04521	0.1
61.02929	1.0
65.03642	0.1
65.03959	0.1
67.05508	0.1
68.05035	0.1
68.99790	0.7
69.03432	5.7
69.84908	0.1
70.06254	0.1
70.06599	1.3
71.01361	0.1
71.04995	0.8
71.51891	0.1
71.65622	0.1
72.08161	0.3
73.02920	1.4
74.06081	0.1
79.05491	0.1
81.03421	6.0
83.01340	0.2
84.04507	0.2
84.08150	0.7
85.02908	11.2
85.12409	0.1
86.06071	0.1
86.09705	0.7
87.00832	3.9
87.04475	0.3
87.05568	0.1
91.03971	0.4
93.03461	0.1
96.08156	0.1
97.02895	4.3
98.09667	0.3
99.04461	2.3
100.24194	0.1
101.02394	0.1
103.03988	0.1
105.01870	3.2
105.03404	0.2
105.07005	0.1
107.04955	0.2
109.02883	5.5
110.06046	0.1
110.07175	0.2
111.00793	0.6
111.04456	0.1
115.03909	0.2
117.01875	0.8
120.08115	0.3
121.02863	2.2
127.03919	9.2
128.04279	0.1
129.01845	0.6
129.10248	0.3
130.83554	0.1
133.02896	0.4
133.05046	0.1
136.07582	0.2
137.02339	0.4
140.14365	0.2
145.04962	3.5
147.02872	0.6
147.04407	0.4
150.42026	0.1
153.01831	2.3
157.06473	0.2
159.02898	3.2
161.06041	0.1
165.01842	1.3
166.08582	0.1
167.08197	0.1
170.52420	0.1
171.03040	0.1
171.04401	0.2
177.03928	0.1
183.02917	0.7
185.06003	0.3
187.10861	0.1
189.03990	0.2
194.02187	0.1
199.03943	0.1
203.03590	0.1
207.81580	0.1
213.03848	0.2
213.05513	1.1
231.04784	1.3
231.08784	0.1
241.04936	0.8
241.14319	0.1
249.06308	0.1
257.04562	0.1
258.05225	0.7
259.06000	0.2
266.14972	0.1
269.04495	0.2
286.04733	0.2
287.05499	100.0
288.05841	1.7
289.05881	0.3
299.05643	0.2
311.05661	0.2
329.06503	0.6
351.08279	0.1
353.06540	0.2
449.10806	19.7
450.10944	0.5
451.11530	0.1
499.12399	0.1
517.13330	0.1
535.14606	0.5
549.97180	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	697.1616
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
52.35154	0.1
53.03745	0.1
53.03954	1.4
55.01874	1.2
57.03426	0.8
61.02934	0.8
68.99790	1.0
69.03441	4.3
69.64680	0.6
69.65098	0.2
71.04990	0.6
73.02924	0.8
78.82679	0.2
81.03428	5.6
84.08170	0.2
85.02917	8.1
87.00840	3.5
91.03963	0.3
93.94778	0.1
97.02904	3.2
99.04470	1.6
105.01881	1.6
107.04969	0.2
109.02895	4.3
111.00802	0.3
117.01852	0.9
121.02885	1.8
127.03933	6.4
129.01840	0.7
133.02870	0.3
137.02350	0.5
145.04976	2.3
147.02885	0.4
147.04433	0.3
153.01851	2.5
157.06468	0.2
159.02904	3.0
161.06062	0.2
165.01851	1.6
177.03918	0.2
183.02919	0.8
185.06036	0.2
213.05582	0.9
222.86156	0.1
231.04703	0.8
231.06882	0.3
241.04901	0.8
258.05316	0.8
259.06076	0.4
287.05527	100.0
288.05899	1.5
293.89612	0.1
329.06616	0.8
449.10852	13.9
450.11160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1609
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.03947	1.0
55.01870	1.1
57.03433	0.6
61.02921	0.6
61.43975	0.1
65.03921	0.1
68.99796	0.7
69.03429	4.4
69.17737	0.9
69.18052	0.2
70.06557	0.2
71.04996	0.6
73.02919	0.9
79.05467	0.1
81.03417	5.2
83.01317	0.1
84.08149	0.4
85.02904	6.8
85.08463	0.1
87.00830	3.3
87.04417	0.1
91.03921	0.3
97.02888	2.9
99.03857	0.1
99.04452	1.8
105.01871	1.8
105.03356	0.1
106.28757	0.1
107.04928	0.2
109.02161	0.2
109.02881	4.3
111.00801	0.6
111.53407	0.1
117.01832	0.7
121.02039	0.1
121.02875	1.8
126.12766	0.2
127.03913	6.3
129.01822	0.6
133.02820	0.3
137.02293	0.4
141.01646	0.1
145.04967	2.5
147.02866	0.4
147.04362	0.3
153.00558	0.1
153.01825	2.3
156.18658	0.1
157.06441	0.2
159.02890	2.9
165.01825	1.4
171.04442	0.1
183.02884	0.6
184.34312	0.1
185.05997	0.3
189.03830	0.1
197.05925	0.1
213.03848	0.2
213.05580	0.7
231.04628	0.9
231.06734	0.3
241.04922	0.7
249.06171	0.1
258.05182	0.8
259.05991	0.4
269.04288	0.1
287.05487	100.0
288.05807	1.7
299.05344	0.1
305.27744	0.1
311.05438	0.1
329.06610	0.6
353.06589	0.2
395.07718	0.2
449.10800	14.7
450.11066	0.3
517.09424	0.1
535.10803	0.3
696.33960	0.3
697.35455	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69594	2.2
53.00315	1.9
53.03937	3.8
55.01873	3.4
55.05515	28.6
57.03437	11.3
57.07075	6.0
61.89966	1.7
65.03944	3.8
67.05507	100.0
69.03428	2.4
69.07066	33.6
69.23787	17.4
71.05004	10.3
71.05350	1.7
71.08640	3.1
79.05495	41.7
81.03424	3.5
81.07061	89.8
83.04978	5.8
83.08611	17.5
85.06542	4.9
86.24618	2.0
91.05485	33.6
93.07050	51.4
95.04974	4.9
95.08612	55.2
95.43675	1.7
97.06544	10.5
97.10153	11.5
98.21467	3.6
99.08068	1.9
105.07046	22.3
105.98077	1.9
107.04967	3.4
107.08588	22.9
109.06514	4.0
109.10163	43.4
111.08089	5.9
117.06982	11.3
119.08581	21.4
121.06491	3.2
121.10154	14.7
123.08085	2.8
123.11725	9.9
125.09637	5.4
129.06990	3.1
131.08566	11.4
133.10118	21.0
135.08058	3.0
135.11681	9.1
143.08611	2.2
145.10153	8.4
147.11699	8.4
149.09676	4.5
149.13292	6.1
157.10143	3.3
159.11679	7.7
161.09569	2.1
161.13246	3.4
163.11197	2.4
163.14883	2.4
173.11725	6.0
173.13280	3.2
175.14844	3.7
189.11261	2.1
199.15021	2.1
217.15874	2.2
219.20998	2.1
227.12714	12.0
229.14328	39.1
239.17966	2.7
245.22719	3.2
257.19138	3.9
259.16739	2.0
262.25201	2.5
263.23703	5.6
267.15759	2.2
269.17480	6.5
275.20148	13.7
337.27380	69.2
338.27658	2.6
349.23605	11.4
361.00760	2.2
381.26474	3.1
408.24545	2.0
491.37271	27.6
516.47717	2.8
529.39020	3.1
531.40466	89.0
532.40851	3.0
571.43591	42.3
572.43341	2.6
611.46777	20.9
617.46039	2.1
629.46796	3.3
643.49463	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	696.541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
54.17044	0.8
55.01859	1.9
55.05518	12.0
57.03441	6.6
57.07075	1.9
59.04997	1.8
60.08492	0.7
65.03938	2.9
67.05511	54.3
68.80190	0.8
69.03423	1.1
69.07072	13.4
71.05000	11.1
71.08651	4.2
79.05502	26.5
81.03429	1.4
81.07066	43.0
81.15120	1.0
83.04980	2.6
83.08633	9.2
85.06546	1.9
90.66545	0.7
91.05492	19.3
93.07054	34.2
95.04964	3.0
95.08620	25.3
97.06532	5.9
97.10190	5.9
99.08096	3.7
105.06407	1.1
105.07043	11.2
107.08607	20.1
109.06538	1.9
109.10171	25.5
111.08080	3.6
117.07017	5.8
117.10880	0.7
119.08600	10.3
121.10159	13.1
123.08060	2.4
123.11704	4.0
125.09638	4.5
127.03935	0.8
129.07021	1.7
131.08598	7.9
133.10147	7.8
135.08099	1.0
135.11707	8.9
137.09596	2.2
143.08568	0.9
145.10124	4.5
147.11725	4.4
149.09547	0.8
149.13248	6.6
151.11192	1.9
155.10715	1.4
155.14311	3.0
157.10277	0.8
159.11670	3.1
161.13239	3.0
163.11162	1.6
163.14841	1.0
171.11714	0.9
173.11737	5.0
173.13280	2.4
175.14803	1.5
177.12790	1.1
185.13239	1.2
187.14867	1.5
189.11212	2.6
195.13857	1.5
199.14790	1.0
202.79596	0.8
225.16368	0.7
227.12804	7.4
229.14372	25.6
241.19409	1.1
242.59952	0.7
243.21129	0.9
261.22171	7.2
262.25238	1.7
277.21710	2.1
283.18784	0.9
317.24637	2.0
333.24384	1.2
335.25833	27.9
337.27353	1.1
351.25323	3.3
353.26709	0.9
358.58130	0.9
433.33032	1.3
489.35825	14.4
490.36505	0.9
505.35223	1.3
507.36887	2.2
513.39563	2.5
529.38947	100.0
530.39343	2.7
611.46442	5.2
629.48022	1.5
643.47241	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	696.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01875	4.2
55.05513	16.9
57.03438	3.9
57.07081	2.8
59.04988	0.6
60.08155	1.2
63.70362	0.5
65.03936	1.3
67.05505	30.6
69.03423	2.0
69.06690	0.7
69.07071	16.4
71.04990	2.6
71.08633	24.9
73.09162	0.6
77.03914	0.6
79.05495	23.5
81.03419	3.6
81.07057	31.9
83.04981	5.8
83.08163	0.6
83.08627	8.7
85.06525	1.9
91.04915	1.0
91.05482	18.5
93.07047	24.2
94.06548	0.8
95.04975	8.2
95.08611	14.8
97.06534	6.0
97.10172	5.9
98.20802	1.5
99.04420	1.0
99.08096	14.9
105.04533	0.7
105.07037	11.2
107.04964	3.8
107.08595	14.6
108.05700	1.2
109.06532	3.7
109.10159	6.0
111.08083	3.0
111.11723	0.7
113.09626	1.3
115.05476	1.1
117.07026	6.5
119.08593	5.9
121.06503	6.9
121.10153	5.5
123.08067	2.1
123.11681	1.6
125.09614	4.7
129.07013	2.1
131.08566	5.8
133.10136	7.2
135.08049	2.6
135.11697	4.5
137.09625	1.2
139.11203	1.2
143.08542	1.3
145.10147	3.9
147.08044	1.0
147.11702	2.7
149.09641	1.5
149.13280	6.5
151.11186	10.9
153.09077	0.6
156.09209	0.7
157.10201	1.1
159.11705	4.2
161.09662	0.5
161.13275	3.2
163.11176	4.9
164.11995	1.0
165.12733	2.0
167.10661	1.8
171.11652	1.0
173.11848	1.0
173.13255	1.7
175.11101	0.6
175.14883	1.1
177.12717	4.5
179.14313	3.8
184.07263	0.9
185.13110	0.6
187.14861	1.1
189.11179	2.7
189.16377	0.7
193.12265	0.6
195.13805	3.2
213.14822	0.7
217.15941	0.5
223.13364	0.7
227.12750	3.4
229.14279	0.7
237.14923	0.9
241.19635	0.9
247.20480	0.7
251.16478	1.2
257.18832	0.8
259.20587	2.6
262.25284	2.1
269.17490	9.4
275.20081	7.2
277.21613	7.6
279.23480	0.6
281.23483	0.6
285.37189	0.6
293.21109	100.0
294.21405	1.6
299.23770	0.8
311.22269	0.6
333.24460	0.7
349.23657	1.4
351.25308	12.3
367.24805	18.2
461.28943	0.8
465.32022	1.8
543.36694	2.4
545.38348	1.6
561.37866	48.1
562.38092	1.9
637.29803	0.6
643.45825	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	696.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.2
55.01876	15.5
55.05278	2.9
55.05516	36.7
57.03447	11.7
57.07065	7.4
59.05016	1.8
65.03934	6.4
67.05509	96.5
69.03412	5.0
69.07071	27.7
69.10907	1.5
70.68972	4.2
70.69318	1.8
71.04987	8.9
71.08636	15.8
79.05497	64.6
81.03426	15.1
81.07062	92.2
83.04984	19.3
83.08615	20.1
85.06566	8.4
91.05486	73.0
93.07049	68.0
95.04979	26.3
95.08611	54.9
97.06532	12.6
97.10181	7.8
99.04457	3.1
99.08103	16.7
99.09724	1.4
105.04529	1.9
105.07039	53.5
107.04973	13.1
107.08601	44.4
109.06524	9.8
109.10163	43.6
111.04462	3.3
111.08075	6.4
113.09586	3.3
115.05424	2.2
117.07033	14.9
119.08592	25.4
121.06493	7.8
121.10154	20.0
123.04444	1.9
123.08077	14.8
123.11670	9.6
125.09652	11.1
127.07567	2.7
127.11169	2.1
129.06995	5.0
131.08588	16.7
133.10143	46.4
135.08043	7.7
135.11699	16.7
137.05998	3.2
137.09593	11.2
137.13229	1.8
139.11209	2.4
141.06975	1.8
143.08519	5.1
145.06490	2.4
145.10120	11.4
147.08061	2.3
147.11705	11.5
149.09619	6.9
149.13286	11.1
151.07487	1.6
151.11188	36.3
153.12726	3.2
157.10127	4.9
159.11681	10.4
161.09610	3.6
161.13289	6.2
163.11177	15.8
163.14879	3.8
165.09067	4.1
165.12724	4.5
169.10271	2.0
169.12213	5.4
171.11684	4.0
173.09627	2.5
173.13332	4.4
175.11237	3.5
175.14766	2.7
177.12805	9.1
179.10651	1.8
179.14288	5.1
181.33748	1.6
187.11240	1.9
193.12321	1.9
195.13815	6.6
207.13835	1.6
215.12772	3.4
221.15279	1.8
227.12801	2.4
229.19435	2.5
241.19440	2.4
247.20598	5.5
251.16376	2.5
253.14346	30.3
257.18991	5.3
259.20584	5.2
261.14694	2.1
262.25284	6.3
267.15891	3.1
268.52222	1.8
269.17459	24.2
275.20081	42.7
277.21658	15.2
284.09702	1.7
293.21146	19.7
295.22623	1.8
313.76663	1.7
335.25851	3.4
337.27350	7.5
349.23724	16.8
351.25275	27.8
357.27426	1.8
367.24857	30.6
447.27194	2.9
465.28378	3.1
472.00592	1.7
472.59665	2.0
529.38904	3.9
543.36768	13.2
547.36353	2.8
561.37915	100.0
562.37793	2.3
625.43921	4.1
643.45630	12.7
661.44751	5.1
696.44806	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	696.504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.9
55.01863	8.3
55.05512	39.0
55.65303	2.7
57.03440	12.3
57.07061	4.5
65.03938	4.7
67.05507	83.3
69.03430	5.3
69.07067	44.2
69.24738	13.5
69.25147	6.0
71.04981	7.2
71.08638	14.7
77.03902	2.0
79.05502	70.3
79.13980	2.3
81.03422	14.1
81.07060	100.0
82.07352	2.7
83.04987	15.3
83.08617	25.4
85.06534	5.6
91.05483	71.7
93.07048	76.2
93.31049	2.3
94.06561	2.6
95.04958	18.6
95.07993	2.5
95.08608	50.6
97.06543	22.5
97.10176	11.2
98.00962	2.3
99.08086	12.3
105.07036	46.5
107.04947	9.3
107.08594	44.6
109.06512	8.1
109.10156	19.6
111.08077	6.8
117.07011	23.3
119.08592	34.2
121.06502	8.7
121.10144	31.2
121.15921	2.4
123.08056	3.8
123.11704	8.1
123.32198	2.4
125.09590	6.9
129.06978	9.4
131.08589	25.9
133.10130	32.3
133.34779	2.4
135.08037	6.3
135.11714	23.6
137.09612	5.8
141.06949	2.9
143.08522	8.0
145.10135	23.3
147.08095	2.7
147.11673	16.2
149.09619	10.5
149.13261	19.7
151.11183	17.6
155.08566	4.2
157.10114	10.3
159.11679	20.2
161.13274	12.3
163.11136	14.2
165.12779	4.9
169.10098	6.6
171.11644	8.8
173.13313	6.2
175.14786	4.2
177.12727	6.7
179.14290	7.1
181.10062	2.9
185.13336	4.2
187.14877	2.9
189.11200	4.7
189.16536	2.7
195.13831	8.0
201.16530	2.5
221.15353	3.0
227.12694	12.1
229.14438	3.0
239.18076	4.5
241.19527	3.4
247.20596	2.6
251.16408	2.5
255.15938	7.7
257.18964	5.6
259.20493	4.7
262.25253	9.4
267.15854	3.3
269.17435	33.6
275.20065	29.3
277.21613	15.8
278.12619	2.2
287.05441	7.6
293.20999	3.0
335.25827	4.2
349.23770	15.3
351.25336	15.4
400.53204	3.1
433.29745	3.5
445.29385	4.5
447.31171	4.4
449.28928	16.7
463.30594	31.6
503.33298	2.9
505.39148	3.2
508.13794	2.6
515.37238	3.0
517.38647	4.7
525.35315	2.7
527.36243	4.1
531.36633	6.5
543.36975	19.4
545.38550	17.2
561.37836	5.2
618.62146	2.7
625.44324	4.9
678.42700	3.1
715.16089	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	696.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.4
55.01869	6.9
55.05510	30.4
57.03432	11.0
57.07072	5.3
65.03948	5.9
67.05508	86.3
69.03434	4.6
69.07074	34.8
69.64985	11.2
71.04993	7.0
71.08628	11.7
76.62204	1.8
79.05494	67.7
81.03424	7.4
81.07057	100.0
83.04991	14.1
83.08616	22.7
85.06551	6.6
91.05479	55.6
93.07048	68.2
95.04961	16.8
95.08610	49.0
95.09183	3.8
97.06547	14.9
97.10175	10.5
98.20857	3.6
99.08087	9.1
105.04517	2.9
105.07037	43.9
107.04952	7.2
107.08598	41.9
109.06516	6.1
109.10141	16.9
111.08089	7.5
113.09657	2.0
115.05525	2.1
117.07032	20.8
119.08586	33.5
121.06522	5.9
121.10140	23.3
123.08036	8.8
123.11731	5.6
124.93392	2.3
125.09621	5.3
129.07013	8.6
131.08569	24.8
133.06496	1.8
133.10141	24.2
135.08034	3.3
135.11688	17.3
137.05954	2.0
137.09604	4.3
139.07573	1.9
139.11128	2.8
141.07005	3.4
142.32851	1.9
143.08571	6.3
145.10138	19.1
147.11670	13.2
149.09642	6.8
149.13269	20.5
151.07462	2.0
151.11176	12.7
155.08606	2.3
157.10159	5.6
159.11700	16.4
161.13264	7.1
163.11180	11.7
165.12724	4.2
169.10153	2.4
171.11714	7.3
173.13268	4.5
175.11108	2.8
175.14761	2.7
177.12785	7.2
179.14314	5.7
181.12314	2.6
183.11714	3.2
185.13339	3.2
187.14932	2.5
189.11198	2.9
195.12267	2.1
195.13773	11.3
197.13181	3.7
199.14833	3.2
213.16380	1.9
215.17928	2.7
218.05959	2.0
227.12819	4.8
229.19588	2.3
246.02434	1.9
253.14600	2.4
255.15999	8.2
257.19034	3.9
259.20557	5.5
267.15955	5.3
269.17474	43.2
275.20081	20.5
277.21631	12.5
279.13492	1.9
287.05515	4.6
293.21130	3.5
295.22647	2.3
313.21390	1.8
349.23749	16.5
351.25327	17.5
367.24969	5.9
445.29425	2.5
449.28986	17.7
463.30542	38.0
469.32956	2.1
527.37140	2.2
543.36896	14.4
545.38501	15.3
561.37799	6.1
563.39514	3.4
615.45276	1.8
625.44983	2.9
637.34601	1.9
643.46045	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	696.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98655	0.8
53.03945	2.0
53.17712	0.8
54.16650	0.8
55.01880	1.1
55.05513	14.4
57.03442	4.9
57.03674	0.8
57.07080	9.6
57.73380	0.8
61.02932	24.9
65.03938	1.7
67.05511	57.5
69.03432	3.4
69.07072	17.0
69.19235	9.2
71.04996	2.2
71.08632	4.5
72.15304	1.0
73.02918	9.9
79.05497	15.2
81.03406	1.7
81.07060	73.5
83.05013	1.6
83.08622	14.9
85.02910	28.3
85.06549	3.9
85.09731	1.2
85.10195	3.3
86.09711	1.6
90.03437	0.9
91.03956	22.3
91.05484	13.0
93.07045	21.7
95.04977	1.3
95.08614	61.2
97.02893	14.0
97.06523	5.7
97.10175	9.7
99.04461	1.6
99.08102	3.9
105.07041	10.6
107.08601	16.4
109.10163	32.7
111.08086	4.4
111.11731	4.0
113.09638	1.6
115.03938	1.7
119.08598	12.6
121.10155	19.3
123.08082	1.6
123.11714	15.1
125.09641	1.8
127.03941	8.9
127.11196	1.2
131.08546	1.5
133.10135	14.9
135.09146	1.7
135.11687	9.9
137.13261	6.3
139.11139	1.2
141.12770	2.1
143.08548	1.2
145.04967	12.5
145.10126	2.4
147.11673	9.2
149.13271	10.6
151.11189	1.2
151.14816	5.8
153.12794	1.4
155.14345	2.6
161.13269	11.1
163.06029	22.3
163.14833	9.1
165.16376	8.1
167.14430	0.9
173.13223	1.4
175.14838	11.6
177.16434	2.0
179.14308	1.9
179.17940	6.6
181.15863	1.2
183.11725	1.1
189.16420	3.3
197.13196	0.9
201.68542	1.0
203.18008	1.6
231.59570	1.1
245.22665	57.5
246.22968	1.8
263.23721	100.0
264.24167	2.2
265.25320	1.8
281.24741	3.3
287.05533	2.2
337.27374	45.7
355.28442	12.6
385.34390	0.9
499.32211	1.0
696.49127	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
55.05497	0.9
56.05030	2.1
56.43574	1.0
57.03429	1.1
59.53477	1.0
60.04517	1.5
65.03940	1.1
67.05495	2.1
68.05043	1.2
69.03416	3.2
69.07069	1.5
70.06260	1.5
70.06602	17.0
71.04993	1.0
71.06931	1.4
71.51549	1.6
72.08156	3.7
73.02934	1.1
74.06087	1.3
79.05482	2.9
81.03416	2.2
81.07035	1.5
82.06563	1.6
84.04516	2.7
84.08144	14.8
85.02905	7.1
86.06055	3.7
86.09711	10.5
91.03969	1.5
91.05478	3.1
93.07043	4.2
94.06585	7.5
95.04982	1.9
95.07334	3.1
96.04478	2.6
96.08144	9.3
97.02877	3.2
97.06556	1.3
98.06074	1.1
98.09697	11.2
99.04464	1.7
103.05482	1.0
108.04462	1.3
108.08115	7.2
109.02891	2.8
110.06031	1.1
110.07150	3.5
110.09702	18.7
112.07621	2.6
112.08755	1.2
115.03851	1.0
115.08698	1.1
116.05013	1.0
118.06541	1.6
119.04939	3.1
120.04451	3.6
120.08118	16.7
121.02826	1.8
121.06541	1.2
122.06039	7.1
122.09634	1.4
124.07597	5.4
124.08414	0.9
127.03921	2.7
129.10234	4.0
130.05042	1.2
134.05983	1.4
136.07600	11.3
137.05972	2.7
137.07909	1.2
138.05515	4.8
138.09152	26.7
140.07097	5.8
140.14316	3.2
144.04439	3.8
145.04959	1.7
146.06009	3.6
147.04422	9.7
148.07620	5.8
150.05518	1.8
150.09071	1.1
152.07106	2.2
155.08273	1.0
158.08139	2.2
158.15421	2.4
159.09128	1.1
160.03963	1.2
162.05492	2.5
164.07072	1.3
166.05000	2.6
166.08661	43.6
170.09673	1.0
172.03952	21.9
173.04285	1.8
173.12932	2.0
174.05591	1.4
178.05002	1.8
186.09027	1.3
187.05994	1.2
187.10736	1.1
190.05014	10.4
190.08694	1.3
192.10191	1.0
204.06607	15.3
205.06900	2.1
212.09450	1.5
213.10266	1.5
214.08447	0.9
215.08507	1.1
216.06583	1.3
224.09302	1.5
225.10217	3.1
226.11003	1.4
227.08134	1.1
227.11850	2.9
229.09807	1.4
231.65311	1.0
235.08713	1.3
236.09366	1.3
237.10216	6.4
238.11067	1.6
239.08078	1.7
239.11687	2.4
241.05031	1.3
241.09792	1.2
241.13425	1.3
243.11256	1.9
245.12932	1.2
247.14464	1.9
248.09245	1.5
249.10077	1.2
251.08125	2.2
251.11765	4.4
252.08948	1.7
253.09749	4.0
253.13257	1.6
255.11356	3.1
259.10818	5.3
260.11255	5.4
261.11261	1.8
263.11795	1.1
264.08957	1.1
265.09763	11.1
266.10251	1.6
267.11365	2.6
271.10767	2.7
273.12311	6.1
278.06619	3.3
279.11371	5.5
281.12772	2.1
283.10852	4.2
285.12363	3.0
287.02267	2.1
287.05515	39.9
288.05713	1.1
292.08304	2.0
293.09314	12.1
294.09866	2.4
295.10760	2.0
297.12271	3.9
299.10361	2.3
299.13803	1.7
301.11810	4.1
302.12131	3.5
303.05042	1.5
303.12775	3.7
307.10757	2.9
309.12344	3.4
311.10263	4.2
312.10910	2.0
313.11841	3.3
318.12204	1.2
319.12900	6.1
320.13196	6.4
321.13477	4.2
323.10422	2.4
325.11859	13.1
326.12433	1.3
331.13269	1.1
335.10294	5.5
338.14426	2.1
339.14105	1.8
340.10596	2.6
341.11395	9.1
343.12927	2.0
344.13446	1.2
353.11386	8.5
357.14581	7.2
358.14957	1.4
363.15784	1.7
373.14008	7.4
385.13892	2.8
404.15979	1.3
418.17413	1.5
422.16898	2.8
433.16318	1.3
446.17017	1.1
450.16315	2.3
460.18713	1.9
462.20242	1.1
464.17780	1.4
465.18823	7.9
474.16498	1.5
478.19931	10.1
488.18369	5.7
488.24133	1.1
504.67377	1.1
506.19287	100.0
507.19687	3.2
510.22458	2.0
520.20691	3.7
524.19830	1.5
538.21906	45.6
539.22552	1.7
613.22675	3.0
629.32349	1.1
645.25415	2.2
662.08539	1.3
663.26410	1.3
677.25562	1.3
695.32288	2.1
696.32343	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	695.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75325	0.4
53.03935	0.7
54.38748	0.5
55.05511	1.3
56.05026	1.6
57.03434	0.9
60.04513	0.7
61.02921	0.7
65.03935	0.9
67.05502	3.3
68.05029	1.1
69.03406	1.3
69.07053	1.0
70.06595	14.4
70.56501	1.3
70.56840	0.7
71.04978	1.2
71.06905	0.8
72.08160	4.5
73.02927	0.9
78.18212	0.6
79.05483	2.0
80.05020	1.3
81.03409	1.4
81.05798	0.6
81.07045	0.9
82.06596	2.6
83.04967	0.9
83.06112	0.7
84.04493	2.6
84.08147	12.9
85.02906	3.8
86.06074	1.8
86.09708	11.6
89.03887	1.3
90.55241	0.5
91.05471	2.7
93.05785	1.0
93.07061	4.3
94.06570	8.5
95.04961	0.9
95.07352	3.6
95.08610	0.9
96.04507	2.7
96.08137	11.7
96.56857	0.5
97.02892	0.9
97.06521	1.1
98.06030	0.7
98.09697	13.5
99.10046	1.1
103.05451	1.0
106.06572	1.2
108.04469	1.2
108.08118	10.0
109.02850	0.6
110.06052	2.4
110.07179	2.5
110.09692	18.1
112.07583	2.0
112.08733	1.5
114.05498	0.7
115.08627	0.5
116.04982	5.6
119.04907	1.6
119.17187	0.5
120.04459	3.6
120.08112	17.7
121.06516	1.3
122.06033	22.1
122.09648	0.8
124.07597	12.4
127.03996	0.6
129.10228	5.9
130.06573	0.6
132.04459	0.9
132.08034	0.6
134.06087	3.4
136.07584	36.1
137.07993	0.5
138.05518	2.3
138.09146	24.7
140.07076	12.1
140.14357	6.2
144.04442	10.3
145.05006	0.7
146.06030	7.2
147.04407	5.0
148.07564	4.7
150.05467	1.5
150.09105	0.8
152.07085	5.6
154.08644	0.7
158.08144	10.8
158.09471	1.1
158.15353	1.3
160.03966	4.7
161.07150	0.8
162.05513	4.7
164.07072	42.9
166.04964	1.8
166.06532	0.7
166.07204	1.2
166.08644	39.9
172.03941	64.7
173.04424	0.5
174.05573	1.6
176.07080	0.7
178.04967	1.0
182.08134	29.4
184.09904	0.9
190.05003	21.5
192.06566	0.8
194.08086	0.6
196.09947	0.6
197.10808	0.9
198.09209	1.1
204.06570	100.0
205.06914	1.5
208.09740	0.5
209.10782	0.6
212.09319	1.4
213.10202	0.7
214.08606	0.7
215.11826	0.9
216.02800	0.5
223.12340	0.6
224.09380	1.0
225.10196	1.6
226.08656	0.7
227.11740	1.9
229.09433	0.6
231.11206	0.6
236.09433	1.5
237.10213	4.4
238.11038	1.0
239.08267	0.7
239.11792	2.3
240.08925	0.8
241.09711	1.4
243.11273	5.7
245.12979	0.7
247.14423	2.1
249.10199	1.0
250.07219	0.7
251.08253	1.6
251.11838	3.7
252.08995	1.2
253.09660	3.2
253.13388	1.0
255.06528	1.6
255.11281	2.3
257.12836	0.9
259.10797	1.7
260.11105	1.1
263.08185	0.7
265.09763	8.3
266.10458	2.1
267.11316	2.5
268.08386	0.6
271.10956	1.2
271.14288	0.6
273.09946	0.5
273.12442	4.3
274.12854	0.8
278.06650	2.5
279.08206	0.9
279.11285	5.8
280.11957	0.6
281.09412	0.9
281.12888	1.6
283.10861	3.9
285.12341	11.2
287.05414	1.0
287.10199	0.8
291.11258	0.9
292.08234	0.7
293.09247	6.7
294.01654	0.5
294.10001	1.2
295.10800	1.0
296.11618	1.0
297.12366	6.5
299.10336	1.5
299.13898	4.8
301.11813	2.2
302.12314	1.9
303.13400	19.4
307.10751	2.7
309.12512	1.4
311.10236	2.8
311.13513	0.8
312.11014	1.6
313.12024	3.1
315.13712	0.9
319.13214	3.1
320.13211	1.6
321.08789	0.6
321.14432	5.4
323.10376	1.6
325.11841	35.1
327.14072	2.3
329.15051	1.3
335.10190	3.6
339.09705	0.9
339.13348	0.7
340.10654	1.4
341.11301	5.7
343.12994	6.0
344.13699	0.7
347.15829	0.6
353.11356	6.8
355.13211	0.7
357.14465	24.9
358.15250	1.6
359.16180	0.7
360.12912	0.6
361.69333	0.5
371.12222	0.8
373.13989	6.0
385.14145	2.1
387.15909	0.6
414.14276	0.9
415.15414	1.5
418.17789	1.1
428.17136	0.6
432.15314	0.8
436.18576	0.7
446.16843	0.7
448.18787	0.9
454.19989	0.7
456.15060	0.7
460.18781	0.7
462.16031	1.2
464.18347	2.1
465.19000	5.2
474.16849	2.8
476.17868	1.9
478.19751	4.2
480.17703	1.8
482.18912	0.7
488.18350	2.7
492.17532	1.2
494.19211	2.3
498.18921	2.5
506.19263	55.0
507.19327	1.9
508.20874	2.5
510.22656	0.8
512.20435	3.5
520.20520	2.1
524.20386	4.4
530.21497	3.7
531.77374	3.0
532.27100	1.2
538.21912	24.6
585.34412	0.6
601.26465	1.0
609.22180	0.8
627.14386	0.7
627.24573	10.0
641.25690	1.6
645.25726	2.8
659.27045	3.3
663.27002	3.5
677.28455	3.2
695.28485	0.8
695.39307	1.1
695.49866	1.1
696.32477	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	695.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01865	0.2
57.03422	0.4
57.07078	4.9
61.02923	0.6
68.99792	0.4
69.03433	2.5
69.03797	0.1
69.30196	0.8
70.06599	0.7
71.04979	0.3
72.08153	0.2
73.02927	0.2
79.05482	0.1
81.03417	2.7
83.01350	0.2
84.08131	0.4
85.02907	5.6
85.06545	1.1
86.09692	0.3
87.04450	0.2
91.03947	0.3
93.07085	0.1
97.02303	0.2
97.02894	3.1
99.04469	0.6
103.07574	0.2
105.03376	0.2
107.04971	0.1
107.45445	0.1
108.08120	0.1
109.02878	1.5
110.09731	0.1
111.00799	0.5
120.08141	0.2
121.02868	3.5
127.03912	3.1
129.10234	0.1
133.02869	0.5
136.07574	0.2
137.02339	0.8
138.09157	0.2
145.04973	1.9
145.06392	0.2
147.04501	0.5
153.01833	2.3
157.06468	0.3
161.05905	0.1
165.01834	1.2
166.08641	0.3
171.04391	0.1
172.03938	0.2
183.02892	0.5
185.05957	0.3
189.05508	0.2
199.03899	0.1
201.05482	0.2
213.05498	1.0
219.06462	0.1
229.10713	3.8
231.06500	0.6
241.04904	0.9
245.04428	0.2
247.11815	0.8
258.05212	0.8
259.06064	0.4
265.09869	0.1
269.04459	0.1
286.04700	0.4
287.05499	100.0
288.05789	1.4
301.07104	1.2
329.06552	0.4
449.10538	0.2
506.18939	0.4
507.12567	0.1
533.16541	1.3
538.21552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1817
Annotation	Isoscutellarein 7-(6'''-acetylallosyl-(1->2)-6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03918	0.3
53.12751	0.1
55.01845	0.3
55.57215	0.1
57.03404	0.3
57.60630	0.1
61.02917	0.5
65.03921	0.2
68.99773	0.4
69.03433	1.9
69.03781	0.2
70.06602	0.6
71.04957	0.2
72.08128	0.1
73.02889	0.4
78.30658	0.1
81.03423	1.5
82.58961	0.1
84.04432	0.1
84.08121	0.3
85.02904	6.4
86.09663	0.1
87.04420	0.1
91.03928	0.2
97.02311	0.1
97.02887	2.2
99.04411	0.4
103.03942	0.9
105.03368	0.2
107.04929	0.3
108.40759	0.1
109.02872	1.5
111.00777	0.5
115.03890	0.5
121.02872	3.3
125.13102	0.1
127.03916	2.1
133.02856	0.6
135.04390	0.2
137.02347	0.7
145.04958	1.2
147.04407	0.6
147.09621	0.1
153.01839	2.5
157.04959	0.5
157.06412	0.3
165.01814	1.2
169.06404	0.1
183.02881	0.6
185.05997	0.3
189.05473	0.2
191.66405	0.1
203.07082	0.1
213.05496	1.0
229.07085	0.7
231.06429	0.6
241.04939	0.8
245.04451	0.1
258.05286	0.7
259.06042	0.3
287.05493	100.0
288.05826	1.7
329.06506	0.3
449.10809	15.9
450.10892	0.3
533.12903	3.1
695.26459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01870	3.1
55.05514	22.8
57.03441	11.9
57.07067	3.8
65.03928	3.3
67.05506	78.2
69.07072	19.2
69.16949	2.5
69.17358	11.3
71.04990	10.4
71.08626	1.7
79.05498	46.7
81.03411	3.3
81.07060	69.8
83.04970	4.6
83.08623	13.8
85.06539	3.5
86.09738	7.3
91.05486	34.4
91.19469	1.3
93.07052	49.4
93.07648	3.1
95.04958	4.7
95.08609	36.6
96.66594	1.3
97.06536	8.7
97.10177	10.9
98.20805	2.6
99.04453	1.6
105.07043	22.1
107.04994	2.5
107.08601	30.4
109.06528	2.8
109.10159	30.8
111.08077	3.8
117.07029	7.9
119.08586	18.4
121.06532	4.8
121.10152	19.2
123.08067	2.5
123.11715	4.8
125.09638	6.7
127.03927	6.5
127.59664	1.3
129.07030	2.2
131.08565	13.6
132.10207	2.1
133.10139	17.0
135.08028	4.2
135.11716	10.8
137.09610	3.0
141.06979	2.2
143.08551	3.4
145.10120	11.7
147.08073	2.9
147.11716	6.8
149.09628	5.2
149.13269	7.3
155.08487	1.6
155.10652	1.8
157.10135	3.8
159.11662	7.0
161.13284	4.7
161.63145	1.4
163.11172	3.2
163.14844	2.5
169.10219	1.5
173.11758	3.6
173.13271	4.0
175.11229	2.3
175.14844	2.0
177.12733	1.4
183.11720	2.1
187.14749	1.5
189.11206	3.1
199.75551	1.5
227.12808	5.8
229.14374	19.1
229.19572	1.7
257.19061	1.9
261.22110	6.8
275.20032	14.7
305.17438	2.1
313.27173	1.7
331.23004	1.6
333.88492	1.4
335.25806	44.3
337.27402	10.5
349.23889	8.0
379.20825	1.5
489.35754	20.3
505.34909	2.4
529.38898	100.0
530.39227	3.6
609.45319	11.2
627.46497	3.3
641.47107	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	694.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57996	3.3
53.03936	5.3
53.72026	4.1
55.01866	6.1
55.05516	29.3
57.03430	16.1
57.07082	5.1
59.41123	4.4
65.03935	7.0
67.05508	91.2
69.07078	36.7
70.91080	8.5
71.05003	17.6
79.05500	67.3
81.03406	7.4
81.06592	6.9
81.07057	100.0
83.04968	5.7
83.08616	18.9
85.06550	5.8
85.95516	3.5
86.09698	4.5
89.61194	4.0
91.05478	40.0
93.07053	63.0
95.04944	10.8
95.08617	55.2
97.06525	8.0
97.10158	7.0
102.73802	3.2
105.07037	31.8
107.08604	44.5
109.06493	6.1
109.10162	42.5
117.07020	16.5
119.08590	26.2
121.10141	28.5
123.11675	6.4
125.09658	6.6
131.08569	25.8
133.10132	23.0
135.08084	5.6
135.11708	15.7
145.10123	10.1
147.11661	9.2
149.09720	5.1
149.13266	9.3
151.11151	4.9
157.10069	5.3
159.11703	15.5
163.11218	3.8
165.12631	4.1
171.11655	4.0
171.69180	3.5
172.73222	3.8
173.11836	8.1
173.13249	11.4
185.13231	4.1
209.13486	4.5
224.77402	3.9
227.12785	12.1
229.14285	30.8
243.21190	5.0
257.19196	4.0
261.22134	12.5
267.15970	9.6
269.17438	14.7
275.20151	22.3
335.25784	73.8
337.27356	10.6
349.23706	11.8
351.25443	5.6
473.88672	3.9
489.35474	24.5
529.38873	59.2
569.42010	31.4
609.44751	16.1
627.45496	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	694.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01868	8.0
55.05510	32.8
55.45060	2.2
57.03437	10.0
57.07079	5.0
58.92584	2.5
65.03940	4.5
67.05513	67.4
69.03433	8.9
69.07071	41.3
70.46527	2.4
70.81462	3.0
70.81803	4.2
71.04988	6.0
71.08629	12.1
79.05495	49.7
81.03419	9.0
81.06590	5.0
81.07057	61.1
81.07532	3.3
82.07378	3.4
83.04974	13.9
83.08636	16.9
85.02940	2.4
85.06535	3.9
89.06042	2.3
91.05489	35.4
93.07045	47.2
95.04961	11.5
95.08607	29.7
97.02884	8.5
97.06535	10.5
97.10176	18.2
99.08092	8.3
105.07038	30.3
107.04952	8.3
107.08601	29.1
109.02840	2.8
109.06516	4.9
109.10170	15.0
111.08085	5.3
115.05475	2.5
117.06989	14.2
119.08594	16.7
121.06520	7.9
121.10144	14.4
121.22343	2.2
123.08057	6.5
123.11702	5.7
125.09638	12.2
129.07016	5.3
131.08548	14.7
133.06470	3.9
133.10141	14.3
135.08073	5.2
135.11707	9.3
139.11119	2.9
143.08543	5.8
145.06537	2.6
145.10138	15.7
147.08049	5.1
147.11700	8.2
149.09634	2.5
149.13257	10.7
151.11191	12.1
159.11707	8.2
161.13264	3.3
163.11166	8.8
165.12817	2.3
171.11678	3.6
173.13292	2.5
175.11137	2.7
175.34998	2.5
179.14297	6.0
185.13344	3.3
189.11267	5.6
193.12283	3.8
195.13821	4.3
205.12305	3.9
223.13275	18.7
227.12802	9.3
259.15671	2.8
259.20566	5.9
269.17526	17.6
273.18481	13.1
277.21661	14.3
291.19562	100.0
293.21066	15.4
335.26108	4.2
337.27017	3.5
347.21979	3.4
351.25369	17.6
365.23242	30.9
367.24832	2.8
495.15137	2.4
543.36578	3.1
559.36371	68.6
561.37494	2.9
601.40527	2.6
641.44324	14.9
694.41974	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	694.418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.4
51.80476	0.4
53.03936	1.4
55.01856	1.1
55.05512	4.4
56.05019	0.8
57.03439	3.2
57.07078	0.5
61.02929	10.4
62.90929	0.4
65.03928	0.8
67.05177	0.7
67.05505	8.7
68.05005	0.9
69.03430	6.7
69.07070	3.7
70.06595	9.4
71.01345	1.4
71.04986	1.3
71.51812	0.6
71.52189	0.4
72.08155	1.1
73.02921	8.5
78.20689	0.4
79.05496	7.8
81.03423	5.4
81.07056	10.1
83.04972	1.3
83.08625	2.1
84.04501	0.6
84.08138	2.0
85.02910	10.7
86.09691	1.4
87.04457	0.9
91.03953	6.3
91.05484	9.5
93.07046	9.0
94.06566	0.5
95.04951	2.0
95.08606	5.9
96.08150	0.8
96.08939	0.5
97.02892	8.2
97.06515	1.1
97.10170	1.2
99.04436	1.3
101.02419	2.1
103.05481	0.5
105.06393	0.7
105.07033	8.1
107.04926	0.7
107.08588	4.5
108.08131	0.8
109.02903	0.6
109.06507	0.9
109.10145	2.0
111.08086	1.0
115.03907	1.0
115.05443	0.8
116.06264	0.6
117.07022	7.0
119.08592	8.2
120.08115	2.4
121.06479	0.7
121.10162	2.6
122.09665	1.2
123.11692	0.5
124.11264	0.5
127.03910	1.9
128.06232	1.2
129.07013	5.7
129.10254	0.7
130.07788	1.0
131.08577	9.7
132.08005	0.4
133.09175	0.7
133.10133	4.6
134.09639	1.2
135.11688	1.4
137.12024	0.5
141.06969	1.0
142.07782	1.4
143.08562	5.4
144.08176	0.5
144.09325	0.8
145.06412	0.4
145.08984	0.5
145.10120	11.2
146.09598	2.4
147.10390	1.2
147.11671	2.2
148.11191	1.7
149.09502	0.6
149.13257	0.9
150.12843	0.5
155.08545	1.7
156.09341	0.6
157.08975	0.7
157.10146	5.9
158.09631	1.2
159.08014	0.5
159.10443	0.9
159.11682	6.6
160.11197	1.7
161.09621	0.4
161.12004	0.6
161.13274	0.9
163.11092	0.6
167.08458	0.5
169.10109	1.4
170.10870	0.5
171.11679	3.5
172.11244	2.0
173.09709	0.6
173.11948	0.9
173.13272	3.4
174.12790	3.5
174.14149	0.6
175.11295	0.5
175.14818	0.5
183.11716	1.2
184.11111	0.6
185.13249	2.6
186.12732	1.4
187.14839	2.7
188.14372	0.7
193.12227	0.6
195.11699	0.9
197.13341	0.9
199.14819	2.2
200.14345	2.6
201.16360	1.2
202.15866	0.5
209.13237	0.5
211.14786	0.7
212.14287	0.6
213.16353	1.7
214.15857	2.6
223.14960	0.5
226.15846	0.9
227.17914	0.6
228.17479	4.1
229.18204	1.6
230.19063	6.7
240.17517	1.6
254.19069	1.2
267.15820	2.7
269.17389	3.1
325.25189	2.4
343.26187	0.8
412.32056	5.6
417.24661	0.9
417.30020	14.5
460.93088	0.5
461.28992	4.9
479.29825	1.1
486.35849	6.1
495.29227	0.6
546.56006	0.5
648.41040	100.0
649.41455	4.1
694.41766	16.5
695.41779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01862	0.8
55.05514	4.5
56.05030	0.6
57.03434	4.6
57.07067	0.7
59.04978	0.8
61.02661	0.7
61.02931	12.5
65.03926	0.9
67.05505	8.4
68.05007	0.8
69.03427	6.9
69.07069	3.4
70.06596	11.6
71.01355	0.8
71.04980	1.3
71.52045	0.6
72.08140	1.0
73.02572	0.5
73.02922	8.1
75.04488	0.4
79.05495	7.6
81.02991	0.5
81.03422	5.4
81.07059	10.3
82.06547	0.5
83.04974	0.9
83.07330	0.5
83.08620	2.4
84.04501	0.9
84.08124	3.3
85.02905	11.5
86.06073	1.0
86.09695	1.7
87.04478	0.9
91.03963	5.7
91.05486	9.4
93.07047	8.4
94.06561	0.5
95.04955	1.9
95.08608	4.7
96.08115	1.3
97.02892	9.0
97.06515	0.9
97.10139	1.1
98.09678	1.1
99.04449	0.9
101.02385	2.1
103.03939	0.5
103.05531	0.5
105.07033	9.7
107.04967	0.8
107.08601	4.8
108.08144	0.5
109.02888	0.9
109.06529	0.6
109.10146	2.4
110.07157	0.5
111.08074	0.7
111.32549	0.4
115.03890	0.6
115.05451	1.5
117.07027	8.0
119.08576	8.9
120.08100	2.6
121.10136	3.2
122.09671	1.1
123.08060	0.7
123.11714	0.8
124.11192	0.5
127.03938	2.2
128.06215	1.2
129.07008	4.9
129.10254	0.9
130.07787	0.9
131.08560	10.4
132.08098	0.7
133.10123	4.4
134.09624	1.6
135.11671	1.2
136.07500	0.5
136.11179	0.5
137.09633	0.5
137.11946	0.5
141.06998	1.0
142.07744	0.9
143.08556	6.0
144.09258	0.8
145.10127	10.7
146.09619	2.5
147.04404	0.5
147.08043	0.5
147.10422	1.9
147.11687	2.2
148.11163	2.1
149.13255	1.1
150.12790	0.8
155.08513	1.3
156.09299	0.8
157.08936	0.7
157.10135	6.5
158.09633	0.9
158.10797	0.5
159.10516	0.7
159.11713	6.5
160.11227	1.9
161.11961	0.9
161.13225	0.9
167.08522	0.6
169.10109	1.9
170.09624	0.7
171.11676	3.8
172.11209	2.1
173.11996	0.8
173.13283	3.8
174.12776	4.1
175.11333	0.5
183.11700	1.6
185.13307	3.7
186.12761	1.7
187.14812	3.3
188.14398	1.2
193.12288	0.6
195.11703	0.8
197.13246	0.8
198.12805	0.8
199.14828	1.8
200.14339	3.4
201.16518	2.0
212.14281	0.8
213.16350	1.5
214.15854	2.2
215.18011	0.6
216.17493	0.5
225.16461	0.5
226.15886	1.2
227.17871	0.6
228.17447	4.5
229.18277	1.8
230.19063	5.9
240.17465	1.6
242.18950	0.8
254.19035	0.9
267.15887	2.4
268.00732	0.4
268.20554	0.8
269.17511	2.4
325.25171	3.0
330.24426	0.8
343.26492	0.6
394.31104	0.7
412.32059	6.0
417.30020	12.7
461.28860	5.3
479.29852	1.2
486.35852	6.4
648.41046	100.0
649.41211	4.2
657.52478	0.4
694.41656	19.1
715.04840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02697	0.4
53.03957	0.6
53.92487	0.4
55.05506	1.5
57.03434	1.8
57.07078	0.5
61.02932	5.3
67.05520	7.7
69.03439	3.0
69.07072	2.1
70.63081	1.0
71.01350	0.8
71.08624	0.7
73.02926	3.5
79.05504	1.5
81.03419	1.7
81.07070	6.1
81.52391	0.4
83.05000	0.8
83.08624	1.5
85.02908	4.4
87.04469	0.5
91.03973	4.1
91.05498	1.7
93.07049	2.5
94.18675	0.4
95.04952	0.6
95.08620	4.2
97.02892	4.5
97.10165	1.0
99.04475	0.8
101.02369	1.2
103.24037	0.4
105.07064	1.2
106.01068	0.4
107.08619	1.1
109.02902	1.0
109.10161	6.2
115.03941	0.6
119.08602	1.4
121.06544	0.5
121.10165	1.2
123.11737	0.9
127.03932	1.7
133.10194	1.0
135.11696	0.7
152.05734	1.4
173.11795	1.0
185.04340	0.8
195.10075	0.9
243.08315	2.3
263.23810	0.5
293.21188	0.5
294.21460	0.6
337.27386	1.6
413.17935	4.3
466.54889	0.5
521.30920	7.4
521.38092	0.4
693.41858	100.0
694.42041	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	693.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68409	0.2
50.73103	0.2
56.36391	0.2
59.73085	0.2
67.05449	0.2
70.06577	0.4
70.15056	0.8
72.94466	0.2
78.63752	0.2
79.05462	0.3
81.07037	0.4
84.08089	0.3
86.09688	0.3
91.05423	0.3
93.05782	0.2
94.06556	0.3
98.21363	0.3
105.06985	0.3
106.06487	0.3
107.07337	1.8
108.08107	1.6
110.07225	0.2
120.04468	1.0
120.08064	0.9
121.08825	0.4
122.05989	0.3
122.09665	4.0
135.06740	0.3
136.07526	0.6
136.11215	1.1
146.06006	0.3
148.07515	0.5
149.04735	0.2
150.09142	10.8
152.07063	1.1
152.10747	0.3
160.07509	0.2
162.05431	0.2
162.09076	0.3
163.23206	0.2
164.07030	0.4
164.10643	0.6
165.11391	0.5
166.08612	0.7
166.12265	0.5
172.03934	1.3
176.10674	0.3
177.07826	0.3
177.33824	0.2
185.10712	0.2
190.04968	0.3
192.06706	0.2
192.10179	0.5
194.08167	0.9
197.10724	0.3
199.12152	0.2
204.06570	1.8
209.10773	0.3
211.08714	0.2
211.12207	0.5
212.09430	0.5
213.10217	0.4
221.10809	0.3
223.08629	0.3
223.12294	0.5
224.09343	0.3
225.10237	1.5
226.11037	0.5
227.11838	0.4
229.13342	0.2
231.11298	0.3
235.06473	0.2
235.08742	0.5
236.09273	0.5
237.10233	2.6
238.10916	0.8
239.08183	0.6
239.11778	1.6
241.09782	0.5
241.13243	0.3
243.11198	0.3
246.07692	0.3
248.09279	0.6
249.10222	2.5
250.11014	1.2
251.08194	1.2
251.11809	2.6
252.08917	0.3
252.12563	0.7
253.09729	1.8
253.12527	0.2
253.13371	0.3
254.10605	0.3
255.11259	0.3
257.12842	0.4
261.10190	0.8
262.10992	0.3
263.08429	0.3
263.11774	1.5
264.08878	0.3
265.09723	4.3
265.13174	0.5
266.10495	0.7
267.11319	2.1
268.11978	0.3
269.09457	0.2
269.12692	0.4
271.10800	1.2
271.14389	2.9
276.08762	0.3
277.09744	0.9
278.07254	0.2
278.10501	2.5
279.07663	2.0
279.11258	4.8
279.14334	0.3
280.08963	0.2
280.11798	1.0
281.09198	1.1
281.12775	0.9
282.09915	0.3
283.10754	3.2
283.14087	0.3
285.12247	0.9
289.09683	2.1
290.10461	0.3
291.11215	1.1
293.09219	1.4
293.12842	3.2
294.10010	2.3
294.13153	0.3
295.10699	1.3
295.14075	0.4
296.11600	0.9
297.08945	0.4
297.12341	1.1
298.09415	0.3
299.10223	1.3
299.13657	0.4
301.15805	0.2
303.13370	0.8
306.09937	0.6
307.10846	0.9
308.11633	0.5
309.12320	1.8
310.12900	0.2
311.10229	3.5
311.13892	0.9
312.10977	1.1
313.11823	1.3
314.12662	1.1
319.10718	0.4
321.12396	0.7
323.10165	0.5
323.13956	1.2
324.11075	1.1
325.11896	1.0
326.12656	2.8
327.13397	4.1
335.10269	3.3
336.10690	0.2
337.11877	0.8
339.10172	1.0
339.13388	27.1
340.10471	0.6
340.13998	0.5
341.14969	0.5
352.10513	0.6
354.12045	1.3
355.12845	5.2
355.16614	0.6
356.13565	0.3
356.17850	0.2
360.17053	0.5
367.12881	15.5
368.13138	0.5
369.14267	0.3
371.12384	0.9
372.13135	0.3
374.19101	0.2
385.14191	0.3
386.14658	1.3
387.15533	0.9
388.16254	0.2
392.19748	0.5
399.15530	5.2
402.18262	0.4
408.22839	0.3
415.15231	0.7
416.19916	0.4
420.19284	0.3
422.96017	0.2
434.20718	0.3
435.21616	0.4
436.22336	0.4
444.19141	1.2
448.22562	0.5
458.21191	0.3
463.21072	1.4
472.18665	0.9
474.16757	0.3
476.21930	2.3
486.20496	0.4
504.21326	7.5
504.28714	0.4
506.19318	0.4
536.23920	100.0
537.24231	3.4
611.25311	0.9
643.27185	0.6
693.37750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	1.1
70.06593	2.1
70.79740	1.9
73.72531	0.8
79.05495	1.4
80.05001	0.8
81.07064	1.3
84.08148	1.3
86.09722	1.4
89.86408	0.7
91.05465	1.7
93.05796	0.7
93.07018	0.8
94.06586	2.0
95.08600	0.8
105.07059	1.7
106.06593	1.4
107.04975	0.9
107.07324	6.7
108.04468	1.1
108.08124	19.1
116.04995	1.6
120.04469	5.0
120.08110	4.2
121.08910	1.4
122.06062	2.5
122.09682	15.0
122.10508	1.3
132.04459	0.8
135.06775	2.0
136.07585	2.3
136.11226	2.0
144.04430	2.1
146.06026	5.3
148.07568	2.3
150.09149	46.2
152.07106	1.9
160.07594	1.3
162.05626	1.7
166.08635	1.0
166.12329	1.0
172.03944	10.4
174.05547	2.4
175.51923	0.8
176.07120	2.9
185.10779	0.9
186.80818	0.8
190.04976	10.2
194.08159	1.3
197.10767	1.4
198.09201	2.2
204.06546	18.7
206.50717	0.8
210.09326	0.9
211.08661	1.6
211.12364	1.2
212.09329	1.4
213.10284	2.0
213.13863	1.2
215.11865	3.0
221.10858	1.1
223.08743	1.3
223.12318	1.3
224.09491	1.5
225.10237	4.6
227.11826	1.0
229.13306	1.7
235.08704	1.8
236.09482	1.0
237.10210	8.4
237.12383	0.7
238.11084	2.2
239.08234	1.4
239.11778	3.7
241.09799	2.8
241.13492	1.2
243.11310	12.5
248.09328	1.9
249.10258	5.7
250.10983	3.6
251.08130	4.1
251.11888	5.7
252.09053	2.4
252.12668	1.4
253.09673	5.9
253.13548	1.7
254.10368	0.9
255.11362	2.3
257.12912	3.3
261.10291	2.9
262.10880	1.5
263.08545	1.9
263.11874	4.6
264.08908	1.7
265.09744	12.7
265.12811	0.9
266.10593	2.6
267.08612	1.1
267.11307	6.6
269.09354	2.9
269.12863	1.1
271.10797	3.5
271.14505	3.2
273.12405	0.8
277.09641	4.6
278.10522	5.4
279.07794	4.5
279.11353	13.9
280.08652	1.1
280.12009	3.1
281.09274	2.9
281.12915	7.7
283.10855	8.3
283.14505	3.2
284.11847	0.9
285.12350	29.1
287.10440	3.0
289.09613	8.0
291.11319	3.3
293.09259	2.9
293.12939	7.6
294.10037	5.3
295.10873	4.5
295.14047	1.2
296.11624	3.1
297.12466	2.1
299.10379	4.0
299.13831	1.0
300.11203	1.3
300.15045	1.0
301.12012	1.8
302.12759	1.4
303.13391	37.7
305.09262	1.0
306.09900	1.9
307.10608	3.5
308.11447	1.7
309.12326	30.7
310.12952	1.9
311.10281	7.3
311.13974	5.9
312.11111	2.2
313.11960	2.9
314.12723	2.5
314.16547	0.9
316.11053	1.4
316.14734	1.4
317.09302	0.9
318.16113	0.8
323.10266	5.5
323.14001	2.8
324.11096	2.7
325.11932	2.2
326.12759	5.3
327.13422	12.8
330.12561	1.2
335.10257	10.6
336.11047	1.3
337.11996	1.8
339.13403	73.4
340.10532	2.2
340.14154	1.7
341.11404	1.4
341.14932	6.1
342.12512	1.4
342.16208	1.8
343.13312	1.0
344.13992	2.5
345.15356	0.8
346.15427	1.8
352.10623	1.0
354.12204	4.4
355.12955	11.4
356.13870	1.2
357.14825	1.2
358.15613	3.0
360.16959	1.0
367.12906	49.8
368.13678	2.2
370.11835	1.8
370.15799	1.0
371.12579	2.2
372.13266	3.4
373.14139	1.0
381.11053	1.0
382.15735	1.6
384.17328	1.2
385.14444	3.1
386.14926	8.1
387.15778	3.4
396.13489	1.4
399.15805	1.1
400.16711	0.9
401.13672	1.6
402.14212	1.8
402.18787	1.2
404.15988	2.6
406.17462	1.6
410.14877	1.1
412.16714	1.9
414.14362	10.4
415.15244	16.0
416.15683	1.0
418.17783	1.9
420.15927	2.2
428.16171	2.5
430.17633	2.4
432.15472	9.6
435.21597	1.5
438.14880	1.4
444.14636	1.4
444.19598	2.3
446.17175	3.0
456.15494	6.1
462.16870	4.5
463.21066	2.7
472.18735	5.9
474.16635	29.6
476.22015	6.9
494.19437	1.2
504.21301	91.1
505.21793	2.1
506.19244	13.0
522.22449	2.9
536.23956	59.1
537.24286	1.4
567.26154	1.2
569.24146	1.9
583.25690	2.5
593.23907	5.8
611.25024	100.0
612.24805	3.5
625.26563	2.7
643.27777	12.2
693.37756	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85334	0.4
67.05499	0.4
69.26399	2.5
91.93771	0.3
94.06537	0.9
99.84411	0.3
105.07008	0.5
106.06525	0.4
107.07331	1.9
108.08121	3.8
117.97775	0.3
120.04459	2.8
120.08047	0.9
121.08838	1.1
122.06001	0.8
122.09669	5.6
135.06761	0.8
136.07553	0.8
136.11186	1.0
144.04399	0.5
146.05923	1.1
148.07564	0.7
150.09145	21.3
152.07010	1.2
159.75331	0.3
160.07541	0.3
164.10703	0.7
165.11467	0.4
166.08682	0.7
166.12254	0.7
172.03897	1.6
176.10664	0.7
184.09810	0.6
185.71361	0.3
190.04973	1.4
194.08086	1.3
197.10704	0.5
199.12375	0.3
204.06621	1.9
209.10670	0.8
211.12303	0.7
212.09413	0.8
212.57455	0.3
213.10167	0.8
215.11725	0.6
221.10706	0.5
223.08621	0.7
223.12212	0.6
224.09433	0.7
225.10304	2.0
226.10976	0.6
227.11761	0.6
229.13304	0.5
231.17674	0.3
233.10744	0.6
235.08630	1.1
236.09508	0.5
237.10197	4.3
238.10941	1.5
239.08113	0.9
239.11809	3.0
240.12447	0.5
243.11244	1.1
248.09346	1.1
249.10258	5.5
250.11043	2.1
251.08171	2.6
251.11789	4.8
252.08881	0.7
252.12619	1.2
253.09711	3.1
253.13359	0.4
254.10368	0.9
255.11208	0.4
257.12784	0.5
261.10172	2.1
262.10953	1.0
263.08170	0.5
263.11768	3.6
265.09741	7.5
265.12784	0.6
266.10406	1.9
267.11292	4.2
268.12085	0.5
269.09222	0.6
269.12851	0.4
271.10736	1.4
271.14279	2.1
276.08655	0.5
277.09668	2.5
278.10489	4.3
279.07642	3.4
279.11249	8.8
280.12003	2.5
281.09723	2.1
281.12384	2.1
282.09998	0.8
283.10724	4.8
283.14279	0.9
285.12347	3.9
289.09708	5.9
290.10513	1.0
291.11261	2.6
293.09247	2.2
293.12811	5.1
294.10016	4.4
294.13120	0.6
295.10706	3.2
295.14243	0.9
296.11523	2.7
297.08835	0.6
297.12259	1.2
298.09515	0.4
299.10287	1.8
303.13428	4.1
305.09247	0.6
306.09766	1.7
307.10834	2.2
308.11404	1.2
309.12299	6.0
310.13031	0.6
311.10214	4.4
311.13928	2.2
312.11105	2.1
313.11948	1.4
314.12720	1.5
317.09186	1.1
321.08807	0.6
321.12186	0.7
323.10211	1.6
323.13950	2.0
324.11047	2.2
325.11774	1.4
326.12628	5.5
327.13385	8.6
328.14014	0.7
335.10223	9.9
336.10925	0.7
337.08136	0.6
337.11920	1.0
339.13391	60.0
340.10449	2.0
340.13913	1.0
341.14993	0.9
342.12433	0.4
344.13577	0.6
346.15750	0.4
352.10501	1.2
353.11371	0.5
354.12131	3.5
355.12881	10.2
356.13589	0.7
358.15457	0.5
360.17035	0.6
367.12881	44.3
368.13306	0.8
370.11499	0.4
371.12549	0.5
386.14822	1.1
386.19171	0.4
387.15540	0.7
388.16641	0.4
399.15488	1.1
404.15585	0.5
414.14444	0.9
415.15137	2.1
420.19321	0.4
431.18451	0.6
432.15573	0.8
435.21759	0.9
436.22742	0.5
444.19461	2.6
448.22595	0.5
456.15594	0.6
458.20370	0.4
463.21024	2.5
472.18707	7.9
473.19061	0.5
474.16565	3.2
476.21851	5.6
489.18402	0.4
490.90637	0.4
504.21283	100.0
505.21606	3.9
506.19138	1.3
522.22406	3.2
536.23907	54.1
537.24292	1.9
569.23822	0.6
593.23798	0.4
611.24976	10.5
612.25586	0.5
643.27625	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01872	1.0
55.05501	1.3
56.05032	2.2
57.03428	1.8
61.02922	2.2
65.03947	1.0
66.17017	0.9
67.05497	3.6
68.05018	2.0
69.03428	1.7
69.07053	1.7
69.93542	3.3
70.06596	17.2
71.04993	0.8
72.08148	2.5
79.05491	3.0
80.05000	1.6
81.03419	1.9
81.07055	3.0
82.07372	0.8
83.04971	1.0
84.04507	3.3
84.08142	11.9
85.02903	3.9
86.06087	1.1
86.09708	11.1
91.05473	3.3
93.05769	1.1
93.07030	2.7
94.06559	3.8
95.04945	1.7
95.08602	1.8
96.04470	1.0
96.08114	1.2
97.02885	2.0
97.06561	1.3
98.06065	1.1
98.09689	4.7
98.21438	1.4
105.07014	3.3
106.06545	2.8
107.07336	2.7
107.08587	1.1
108.04476	2.3
108.08131	10.3
109.10159	2.1
110.06036	3.4
110.07162	2.1
112.08721	1.4
114.05524	0.9
117.07023	0.8
119.04848	0.8
119.08567	1.8
120.04393	1.0
120.07504	0.8
120.08121	8.3
121.06539	1.2
121.10122	1.7
122.06050	5.9
122.09683	7.6
124.07607	2.2
126.05508	1.3
127.03935	1.2
129.10240	8.3
130.06526	3.9
132.08090	3.7
133.10167	1.1
136.03944	7.3
136.07587	37.4
136.24271	0.9
137.09622	1.3
138.05545	0.9
138.09071	2.0
140.14343	1.3
143.07237	1.1
144.04428	1.1
144.08063	3.6
145.07640	1.4
145.10057	0.8
146.06017	1.9
146.09612	1.7
147.04408	3.1
148.07576	4.9
150.05457	1.0
150.09138	14.3
152.07085	3.0
153.06970	0.9
154.05005	16.1
156.08075	1.1
158.06023	31.2
158.09570	1.6
158.15475	1.0
160.03958	9.7
160.07568	3.9
162.05539	1.6
162.09088	1.2
163.11241	0.9
164.07047	6.9
166.08624	2.7
168.08099	1.5
170.08398	1.0
170.09683	2.3
172.03922	2.6
172.07573	4.3
173.10713	2.4
174.09125	2.3
175.11168	1.0
176.07076	3.2
178.05014	2.1
178.08586	1.3
182.08151	2.2
185.07167	1.6
185.10715	2.7
186.05457	1.6
186.09166	1.1
187.08693	1.0
188.07083	1.2
190.04985	1.5
190.08623	3.4
192.10191	1.9
194.08151	1.5
195.09084	1.1
196.07666	1.1
198.07675	1.6
198.09325	1.8
199.08681	3.0
200.05403	1.0
200.07060	4.3
201.10246	2.6
202.04997	1.6
204.06561	6.5
204.10284	1.5
212.09164	1.2
213.06644	2.0
213.10237	4.6
214.07352	7.0
215.08247	1.2
216.06566	4.2
218.08125	72.7
219.08923	4.0
220.09804	1.9
223.08717	1.1
224.07054	2.0
225.10156	2.4
226.05397	0.9
226.07242	4.1
226.10732	2.4
227.08156	4.3
228.08768	1.2
229.09731	2.5
231.11238	0.9
234.11375	1.1
236.09201	18.6
237.10211	2.2
238.10936	1.5
239.08217	1.2
239.11792	1.2
240.08940	1.7
241.06017	1.9
241.09770	10.5
242.08234	1.5
243.07576	1.5
244.06070	5.1
245.09280	1.1
246.07645	9.3
250.10760	100.0
251.11586	2.7
252.12550	2.3
253.09747	2.1
253.13326	1.3
257.09207	3.0
259.10739	7.5
262.07098	2.1
263.07913	3.0
264.08560	4.9
265.09720	2.5
267.11053	1.4
269.09207	4.5
271.10739	1.4
272.08002	1.6
273.08417	1.1
276.08691	4.2
278.10474	0.8
279.07877	1.2
279.11194	3.9
281.09207	2.6
283.10834	1.1
285.08765	2.8
287.10266	31.6
287.13510	2.1
293.09314	1.0
293.12720	1.6
294.09985	1.6
295.07095	1.4
295.10660	2.3
297.12189	1.7
299.10233	3.3
299.13757	1.3
301.12021	1.3
303.09821	5.1
303.12900	1.1
305.11322	46.2
309.12479	1.4
311.10562	1.4
311.13882	3.6
312.07257	1.2
313.11929	1.3
315.13522	1.8
317.11331	2.7
319.12793	1.4
321.12238	5.5
323.10345	1.6
336.07339	2.4
337.08194	1.1
339.13397	32.1
339.17560	1.6
340.13800	1.3
341.14859	1.2
351.09760	10.1
355.13135	1.3
355.17450	1.0
356.14221	1.0
357.14435	25.9
368.13907	1.1
371.11945	1.6
371.16077	17.3
372.13431	1.5
373.14255	1.9
383.12747	1.8
384.13623	1.2
389.17038	2.8
398.15100	2.1
401.13461	5.2
405.08823	1.2
411.54990	0.9
415.15173	0.9
444.15329	1.9
448.18433	1.0
449.18976	1.1
458.17798	1.3
460.18933	1.4
476.18124	1.6
478.19562	1.4
486.16455	1.6
488.18338	5.0
504.17551	13.9
505.18304	2.1
506.19229	9.0
520.21307	1.6
522.18671	2.0
535.22284	1.2
536.20270	41.2
537.21387	2.6
554.23401	1.3
607.21667	1.1
625.22821	5.8
643.24072	5.7
657.25250	1.6
661.25085	8.6
675.26440	4.1
693.39233	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	693.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72304	0.2
55.01866	0.5
55.05489	0.5
56.05017	0.4
59.95240	0.3
67.05499	0.5
70.06587	2.3
72.08136	0.9
79.05462	0.5
81.07076	0.3
82.06582	0.4
84.04488	0.6
84.08163	1.7
85.02849	0.3
86.06063	0.4
86.09708	2.0
89.03860	0.6
91.03968	0.3
91.05466	0.4
93.07030	0.7
94.06552	1.4
95.07339	0.7
96.04448	0.4
96.08128	1.7
97.02885	0.3
97.06554	0.7
98.09719	0.6
106.06536	0.4
106.83197	0.3
108.04453	0.6
108.08128	1.3
110.06027	1.2
110.07150	0.3
110.09694	2.4
116.04993	1.9
120.08118	2.7
122.06038	3.6
124.07590	3.3
127.03906	0.3
129.10246	0.6
131.63988	0.3
132.04448	0.3
134.06033	0.5
136.07582	2.4
138.09161	2.3
144.03389	0.4
144.04456	4.2
144.08102	0.3
146.05978	0.7
147.04431	0.3
148.07584	0.8
149.07088	0.4
150.05484	1.2
152.07054	2.3
158.09619	0.8
160.03989	0.3
160.07579	1.2
162.05493	1.5
162.09103	0.3
164.07083	0.7
166.08673	4.0
166.46262	0.3
170.09656	1.0
172.03944	17.2
172.07674	0.8
172.11140	0.3
173.10786	0.3
174.09094	0.9
175.08672	1.1
175.12328	1.0
176.07156	0.6
177.06656	0.3
178.05035	0.3
182.09698	0.3
184.07549	0.7
185.08398	0.4
186.09140	5.2
187.08665	1.1
188.07153	0.6
188.09409	1.0
190.04984	2.9
196.07561	1.3
198.09097	0.8
199.12343	0.4
200.07202	0.3
200.10709	1.2
201.10278	0.7
202.08939	0.4
202.10999	3.0
203.11795	5.7
204.06569	24.4
210.09200	0.5
212.07034	0.4
212.09052	0.3
213.10222	2.7
214.08656	10.5
214.10733	0.6
215.08167	5.4
216.06898	0.4
216.08946	0.8
217.09801	1.3
218.10278	0.3
227.07973	0.5
227.11841	1.1
228.10225	3.8
229.09760	2.4
230.08403	0.3
230.10558	1.2
231.11327	6.3
237.10216	0.8
240.09048	0.4
241.09724	2.3
242.08151	2.4
243.11133	0.3
245.09209	0.8
245.12921	0.5
246.10112	0.4
247.10867	1.7
249.10223	0.3
253.09694	0.3
255.11292	3.9
256.09717	3.0
257.09323	0.7
257.12830	1.6
258.09988	0.4
259.10791	80.3
260.11078	1.2
265.09741	0.6
271.10757	0.7
273.12357	7.2
275.10248	0.4
283.10770	3.9
284.09189	0.3
295.10867	0.5
297.12457	0.9
301.11844	60.7
302.12167	0.8
311.10663	0.3
319.12894	100.0
320.13150	1.8
325.11826	5.4
335.12366	0.6
337.13947	26.8
338.14197	0.8
339.09732	1.6
343.12830	0.5
353.21579	0.3
357.10757	0.4
357.14508	3.0
371.12283	2.1
413.15308	0.3
486.16724	0.9
492.17484	0.4
496.17188	0.4
504.17618	1.0
510.18704	0.9
522.18628	0.6
536.20404	0.9
577.36969	0.3
589.73553	0.3
625.22955	0.8
639.24243	0.3
643.23938	0.6
647.27118	0.3
657.25903	1.3
661.24915	0.4
675.26630	8.1
676.26788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
55.05501	0.8
55.13060	0.4
56.05041	0.8
57.03421	0.5
61.02927	0.5
67.05500	0.6
68.05025	0.7
69.03408	1.9
69.07076	0.6
70.06599	9.7
71.52203	0.5
72.08159	2.5
73.02907	0.7
79.05480	0.7
80.05014	0.5
81.03428	1.2
81.07067	0.6
81.83037	0.4
82.06575	0.7
84.04485	1.7
84.08141	5.1
85.02901	2.1
86.06046	0.5
86.09711	5.7
87.04460	0.6
89.03909	0.7
91.05475	1.5
93.07038	1.8
94.06565	2.1
95.04965	0.5
95.07340	1.4
96.04509	0.6
96.08144	3.6
97.02884	1.8
97.06528	1.5
98.09709	3.5
98.97588	0.7
103.05431	0.9
105.07002	1.4
106.06537	0.7
108.04472	1.2
108.08134	3.7
109.02876	0.6
109.06464	0.6
109.08894	0.6
110.06027	1.5
110.07159	0.6
110.09689	6.2
115.03934	1.0
116.04986	0.9
119.04946	0.5
120.08115	7.4
122.06052	4.8
122.09708	0.6
124.07614	3.3
127.03882	0.8
129.10252	2.1
130.06546	0.7
133.04941	1.2
136.07593	5.9
138.05487	0.7
138.09143	8.3
140.07083	0.8
140.14331	1.1
144.04469	3.7
146.06027	2.8
147.04396	1.5
148.07570	2.8
150.05519	2.0
151.98547	0.5
152.07085	2.9
158.09618	0.9
159.09177	0.6
160.07616	1.4
162.05510	2.0
162.09102	0.7
163.35255	0.5
164.07050	1.7
166.08647	9.2
170.09656	0.8
172.03943	18.3
172.07570	1.1
173.10770	0.6
174.05551	0.6
174.09192	1.6
175.08736	0.8
175.12369	0.8
176.07062	0.9
178.05081	1.2
182.09608	0.6
184.07541	0.7
186.09167	4.8
187.08681	1.7
188.03389	0.8
188.09468	1.1
190.04984	3.8
192.10179	0.8
196.07582	1.3
197.10825	0.5
198.09222	0.8
199.12427	0.5
200.10745	1.9
201.10231	1.1
202.08981	0.6
202.10959	2.6
203.11806	5.7
204.06570	28.6
211.08627	0.6
212.07278	0.5
213.10179	1.7
214.08647	9.2
215.08130	4.0
217.09653	0.8
217.13428	0.8
220.09738	1.2
221.10938	0.7
222.07866	1.4
223.08636	1.0
225.10167	1.3
226.07326	0.5
226.10829	0.6
227.08263	0.6
227.11757	1.8
228.10255	3.5
229.09686	2.3
230.08194	0.7
230.10397	1.1
231.11325	6.3
237.10251	4.8
239.11766	1.4
240.08794	0.6
241.09711	2.9
242.08098	1.9
243.11130	0.9
245.12923	1.6
246.09935	0.7
247.10789	1.5
249.06981	0.9
249.10143	0.6
250.11128	0.6
251.08188	2.0
252.08948	1.1
253.09717	1.2
255.11247	6.1
256.09735	3.5
257.09296	1.4
257.12836	2.1
258.10083	1.0
259.10797	76.5
260.11111	1.1
265.09729	5.7
266.10675	0.5
267.11246	1.5
269.12973	0.9
271.10742	1.5
273.12354	6.9
279.07816	0.7
279.11029	0.8
281.09412	0.7
283.10797	3.9
285.09079	0.7
285.12347	1.4
287.05472	2.6
287.10352	0.8
287.13889	1.3
289.11932	0.7
293.09259	1.3
295.10657	3.2
297.09180	0.6
297.12463	1.9
298.09546	0.6
301.11847	62.4
302.11871	0.8
307.10690	0.7
311.10303	8.8
312.04807	0.6
313.11801	2.2
315.13434	1.1
317.11282	0.9
319.12900	100.0
320.13229	1.4
321.08707	1.7
321.12244	0.7
323.10321	1.4
325.11835	7.0
331.12924	0.9
335.12460	3.0
336.13187	1.1
337.13980	31.2
339.09772	11.7
339.13416	0.7
341.11353	0.8
343.13034	1.0
351.09656	0.6
353.11475	1.0
357.10715	2.6
357.14523	5.2
358.15341	0.8
359.16245	1.1
361.13855	0.5
371.12424	24.5
372.12665	0.7
373.14087	1.0
392.18152	0.8
414.18051	0.8
416.16202	0.8
442.16922	1.5
458.17068	1.4
460.19110	1.1
474.18896	0.9
476.18243	1.2
478.66220	0.6
491.11935	0.5
492.17563	2.0
496.17087	3.3
504.17688	6.1
506.19357	0.7
522.18701	1.8
528.19745	1.5
536.20337	6.5
547.19135	0.6
597.23529	1.1
625.22662	2.1
629.25598	0.8
643.23950	2.8
657.25928	2.5
661.25311	2.4
675.26385	1.4
693.11859	0.8
693.25262	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.1
53.03936	3.3
55.01880	8.1
55.05517	33.6
57.03156	1.8
57.03431	20.2
57.07080	1.9
59.05004	5.3
60.77166	0.9
61.02935	8.5
65.03938	3.4
65.66068	0.9
67.05508	100.0
69.03432	5.8
69.07070	18.1
70.55476	1.5
71.01364	1.4
71.04996	7.0
73.02914	6.3
73.21555	1.0
73.73603	0.8
79.05501	39.0
81.03423	14.8
81.07061	74.6
81.66110	1.0
83.01317	1.0
83.04992	10.0
83.08146	1.9
83.08622	23.8
85.02906	18.2
85.06541	5.2
87.04467	4.9
91.03945	4.8
91.05482	27.3
93.07049	40.5
95.04977	7.5
95.08610	22.0
97.02900	7.3
97.06537	10.8
97.10175	15.7
99.04440	1.2
99.08101	2.3
103.03967	2.1
105.04469	0.8
105.07036	11.4
107.04955	4.9
107.08600	30.6
107.09314	1.9
109.06525	3.1
109.10162	49.8
111.04447	2.0
111.08100	7.1
116.04713	1.8
117.07037	8.2
119.08586	11.6
121.06503	3.9
121.10146	12.7
123.08075	2.9
123.11710	4.2
125.09647	15.5
127.03929	1.5
129.05507	5.4
129.07008	2.5
131.08580	10.0
133.10138	12.9
135.08063	2.3
135.11716	12.4
137.09662	2.7
139.11143	0.9
143.07033	1.1
143.10722	2.2
145.10100	5.3
147.08058	1.5
147.11670	5.8
149.09608	2.5
149.13275	11.7
151.11177	2.1
153.12769	2.9
155.10698	4.6
157.10165	2.0
159.11713	8.4
163.11176	8.3
165.12750	2.5
173.09604	1.6
173.11758	15.7
175.11214	1.2
177.12747	4.7
181.12274	2.6
191.10617	2.7
193.12242	4.8
195.13818	14.0
199.13316	7.3
209.11702	8.4
211.13344	3.6
213.14973	2.0
227.12820	9.9
229.14368	53.8
239.16464	5.2
257.13867	1.2
267.15894	9.7
269.17499	66.8
283.15399	7.5
285.16940	2.0
297.16855	1.1
301.16470	21.9
313.16504	1.8
323.18546	1.3
357.24295	1.7
393.26251	2.4
411.27277	6.4
423.27432	42.4
431.27985	2.3
449.28979	2.1
459.27249	1.3
477.28473	3.5
495.29572	72.1
496.29587	1.3
513.30585	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.8
56.05029	0.4
57.99556	0.2
58.06585	0.6
61.02910	0.2
64.82867	0.2
65.03935	1.4
66.58286	0.2
67.05512	2.8
68.05020	0.7
69.03437	0.3
69.07056	1.0
69.52303	1.5
70.06595	11.8
71.04972	0.5
72.08163	0.6
79.05488	0.8
79.68271	0.3
81.03421	1.0
81.07053	2.0
83.07334	0.5
84.04496	0.3
84.08155	2.0
85.02910	0.8
86.09714	1.3
91.05486	9.6
93.07041	1.8
95.04987	0.3
95.08602	0.3
96.08131	0.6
97.02906	0.4
98.09697	100.0
99.04433	0.4
99.10028	0.5
101.66307	0.2
105.07034	1.5
107.08586	2.0
109.02914	0.6
109.06538	0.4
109.10170	0.7
110.09662	0.3
111.10466	1.1
112.11259	0.9
117.06939	0.2
119.04948	21.9
119.08582	0.7
120.08129	0.8
121.06528	0.7
121.10159	1.8
127.03934	0.6
129.10229	0.5
135.08084	0.3
135.11700	0.6
140.14348	30.1
141.14815	0.3
145.10143	1.4
147.04416	78.9
147.91115	0.2
148.04730	0.7
149.09621	0.7
158.15407	9.3
163.11198	3.1
167.10703	0.8
181.12239	0.6
187.66556	0.3
191.10654	1.7
204.06551	0.3
209.11667	0.5
227.12823	0.9
304.19247	0.7
315.71909	0.2
353.15973	0.3
372.87314	0.2
435.94711	0.2
484.94125	0.3
519.66327	0.3
535.22693	0.6
536.22589	0.2
615.27911	0.2
630.36707	0.3
632.33868	0.2
675.58783	0.2
692.36432	84.1
693.36871	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	692.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03022	0.3
53.03934	0.4
55.05508	0.5
65.03937	2.3
67.05506	2.5
69.03416	0.7
69.07056	1.0
70.06595	7.1
70.52695	0.6
70.53024	0.3
71.04972	0.4
72.08153	0.3
79.05518	0.6
81.03422	1.3
81.07065	1.6
83.07368	0.4
84.08138	1.4
85.02924	0.4
86.09715	0.6
91.05487	13.7
93.07042	2.0
95.04986	0.3
95.08633	0.3
96.08173	0.4
97.02910	0.7
98.09696	65.0
99.04476	0.5
99.10009	0.4
103.81283	0.2
105.07041	1.5
107.08604	2.3
109.02874	0.8
109.06538	0.5
109.10142	0.8
110.09695	0.3
111.10474	0.6
112.11253	0.7
119.04948	29.6
119.08562	0.5
121.06506	1.0
121.10133	2.1
127.03941	0.8
127.07574	0.4
135.08049	0.4
135.11691	1.0
135.27081	0.3
139.11226	0.3
140.14346	25.7
145.10162	1.5
147.04414	100.0
148.04770	1.2
149.09657	0.8
158.15414	25.6
163.11203	3.5
167.10707	0.8
174.12885	0.3
181.12222	0.5
191.10684	2.3
209.11829	0.4
227.12851	0.6
260.78934	0.3
304.19070	1.2
312.05573	0.3
341.09906	0.4
656.24268	0.4
692.36414	98.0
693.36676	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	692.328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.01864	1.0
55.05516	1.2
56.05038	1.4
57.03449	1.7
57.05824	0.5
58.06588	1.0
59.04966	0.3
59.10304	0.3
60.04544	0.5
60.05645	0.5
61.02920	1.1
63.02380	0.8
65.03933	0.6
67.05185	0.4
67.05509	3.3
68.05032	2.0
68.68777	0.3
69.03435	2.7
69.07059	1.1
70.02950	0.6
70.06600	20.3
71.01341	0.4
71.05005	1.7
71.06926	0.5
71.51075	0.4
71.51488	0.4
72.08163	4.9
73.02920	1.5
74.02429	0.3
74.06082	1.0
76.10635	0.3
78.04716	0.4
79.05499	1.2
81.03423	2.9
81.07057	1.3
82.06565	0.5
83.04973	0.5
83.06105	0.4
83.08621	0.3
84.04504	2.6
84.07641	0.6
84.08152	12.5
85.02914	5.2
85.08469	0.5
86.06064	2.4
86.09715	6.6
87.04464	0.4
87.05594	0.7
87.10062	0.5
88.03998	0.5
89.03924	8.6
91.03954	0.6
91.05487	6.6
93.07041	0.5
93.19946	0.3
94.06579	0.5
95.04982	1.0
96.04469	0.5
96.08127	1.2
97.02907	2.4
98.09702	100.0
99.04471	0.6
99.10032	1.2
101.07144	0.5
102.05563	0.6
103.05518	1.6
105.03432	0.7
105.07024	1.1
106.04181	0.4
107.04993	0.9
107.08554	0.4
109.02856	1.4
109.06499	0.5
109.10178	0.8
110.07175	1.3
110.09702	0.5
111.10482	0.7
112.08729	0.6
112.11298	0.7
113.07117	0.7
115.03954	0.6
117.03394	21.9
117.07062	0.4
119.04960	9.3
120.08115	2.5
121.02854	0.4
121.06518	0.7
121.08414	0.3
122.06068	0.6
123.04480	0.3
124.05204	1.1
125.06012	0.4
126.12836	0.4
127.03938	1.0
129.10271	4.4
130.04997	0.5
131.04950	0.8
131.08524	0.4
133.02882	1.8
133.05098	0.5
133.06239	1.6
133.10126	0.4
134.03667	1.4
134.06061	0.4
135.04437	1.6
135.11620	0.4
136.07597	2.5
137.05997	5.8
138.06592	0.3
138.12752	0.7
139.08701	0.3
140.14351	28.9
141.14729	0.6
143.11844	0.6
145.02861	53.7
146.03210	0.7
147.04420	9.5
148.04904	0.4
148.07516	0.4
149.06001	7.3
150.05504	0.4
150.06761	0.5
151.03995	0.3
151.07578	2.2
151.08658	0.4
152.08261	0.6
157.03983	0.4
158.06053	0.7
158.15416	11.2
159.07843	0.4
159.09233	0.3
160.05273	0.5
161.02440	0.7
161.05995	1.4
162.03168	0.7
162.06754	2.2
163.03923	1.0
163.07449	0.5
163.11217	0.4
165.05550	0.4
173.12917	0.4
175.03946	5.2
177.05484	61.4
178.05965	0.4
179.07048	4.6
180.07858	0.9
181.09854	0.4
185.09465	0.3
185.16545	0.6
186.05540	1.4
186.09070	0.4
187.10820	0.5
187.14487	0.5
193.04962	1.6
194.11769	0.5
197.12769	0.3
201.05479	5.5
201.12485	0.3
209.11795	0.9
212.10278	0.3
213.05396	0.3
231.06625	0.7
231.14651	0.3
233.06081	0.4
244.09770	0.6
249.09326	0.3
283.15475	1.1
287.05518	0.4
301.16605	0.8
304.19177	1.1
305.08118	1.6
321.09763	1.0
325.10852	2.3
333.19324	1.6
337.10757	1.6
355.11874	2.1
373.12894	1.7
377.21777	0.6
402.19058	0.5
450.24857	3.4
450.75421	1.5
451.25394	0.6
512.24945	1.8
519.28735	0.3
529.87531	0.4
530.27173	3.1
535.18298	1.2
545.50873	0.3
576.62189	0.3
643.41553	0.3
661.83575	0.4
692.32831	86.2
693.33234	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	691.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
53.99105	0.3
55.01867	0.4
55.05521	1.3
57.03448	1.3
57.44006	0.3
59.04992	0.5
61.02930	4.0
65.03956	0.3
67.05509	7.7
68.05821	0.3
69.03432	2.9
69.07056	1.0
70.81627	0.6
70.81957	0.3
71.01370	0.4
71.04984	0.7
73.02921	3.3
75.04466	0.3
75.98884	0.3
79.05494	2.0
81.03418	1.7
81.07054	3.7
83.08624	1.1
85.02908	4.4
85.47729	0.3
87.04482	0.7
91.03952	3.1
91.05502	1.6
93.07043	2.2
95.04951	0.3
95.08605	3.0
97.02895	4.4
99.04458	1.0
101.02374	1.5
105.07053	0.8
107.08599	1.2
109.02914	0.8
109.10157	6.5
111.08040	0.3
111.08816	0.3
119.08566	1.4
121.10159	0.9
127.03947	1.4
131.08597	0.7
133.10138	0.6
134.74904	0.3
135.11693	0.7
137.09619	0.4
145.04897	0.3
149.13297	0.4
152.05693	0.5
155.10701	0.7
159.11751	0.4
173.11794	1.7
173.13127	0.4
185.04211	0.8
195.09984	0.7
200.39803	0.3
211.26134	0.3
227.12740	0.3
229.14406	1.1
243.08369	2.1
379.30035	0.3
391.03821	0.3
413.17874	9.4
519.29291	4.5
519.36273	0.3
691.40265	100.0
692.40631	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	691.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01861	0.4
55.05512	1.6
57.03436	1.6
61.02931	5.2
65.03945	0.3
67.05510	6.6
69.03430	2.7
69.07059	1.0
71.01362	0.4
71.04993	0.6
73.02919	3.4
79.05499	2.8
81.03412	1.6
81.07059	4.1
83.04968	0.2
83.08616	0.6
85.02911	4.5
87.04511	0.3
91.03957	3.1
91.05480	2.0
93.07046	3.0
95.04964	0.4
95.08610	2.8
96.68561	0.2
97.02897	4.3
97.10191	0.2
99.04462	0.9
101.02390	1.7
103.03983	0.3
105.07041	0.8
105.81929	0.2
107.08615	1.7
109.02866	0.6
109.10162	4.4
115.03903	0.2
119.08625	1.1
121.10131	1.3
123.11784	0.3
127.03929	1.3
131.08586	0.5
133.10124	0.7
135.11670	0.8
137.09631	0.2
141.31456	0.2
145.04968	0.3
145.10182	0.4
147.11723	0.4
147.20929	0.2
149.13290	0.4
155.10683	0.3
168.57353	0.2
173.11772	0.8
185.04269	0.7
187.14778	0.2
195.09967	1.1
203.05328	0.6
229.14412	0.7
229.33632	0.3
243.08388	1.8
335.25900	0.7
413.17810	5.2
519.29242	7.2
691.40277	100.0
692.40607	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05492	0.4
56.05029	0.6
56.47883	0.4
60.44980	0.4
61.02922	0.6
67.05507	2.0
69.03419	0.6
69.07053	0.5
70.06594	3.0
70.95809	0.7
70.96126	0.6
72.08138	0.8
73.02906	0.7
79.05473	1.2
81.03386	1.2
81.07053	0.9
83.04958	0.6
84.04504	0.9
84.08126	1.6
85.02905	1.1
86.06026	0.5
86.09684	1.4
91.05478	1.2
93.07024	1.3
94.06555	1.9
95.04938	1.3
95.08595	1.0
97.02874	0.9
105.07034	1.0
106.06538	0.6
107.07327	1.5
107.08574	0.5
108.04527	0.4
108.08150	2.7
109.06538	0.4
109.10155	0.7
110.06022	0.5
116.05000	0.6
117.06986	0.7
119.08562	0.5
120.08093	1.5
121.10107	0.4
121.34343	0.4
122.06044	4.7
122.09669	3.5
124.07601	1.1
127.03916	0.7
129.10236	1.0
130.06467	0.6
135.11676	0.6
136.07562	2.1
138.09123	0.5
140.07065	1.0
144.04398	2.0
146.05983	0.7
148.07608	0.6
150.05501	3.4
150.09152	9.4
160.07591	1.0
162.05510	0.8
163.11218	0.5
164.06976	0.6
168.06631	0.6
170.09583	0.6
172.02551	0.6
172.03935	8.9
172.07501	0.5
182.08153	1.9
182.09587	0.4
186.09239	0.8
188.07079	0.7
190.05008	1.1
196.07700	0.5
198.09108	0.5
199.08569	0.8
201.10091	0.8
202.10890	0.5
203.11801	1.1
204.04729	0.7
204.06583	10.8
204.08467	0.8
209.10654	0.5
211.08621	0.9
212.09349	0.7
213.10199	1.1
215.08131	0.7
215.11794	0.7
217.09731	1.2
221.10799	0.5
225.10251	0.4
228.10175	1.2
228.12421	0.4
229.09702	7.2
230.10443	5.0
231.11263	2.4
236.09441	0.6
237.10223	3.1
238.08607	0.8
239.08127	1.1
239.11784	0.6
240.08769	0.8
241.09628	2.0
243.11290	2.8
244.12079	2.5
245.09125	0.9
245.12889	1.2
247.10895	1.2
249.10179	5.0
250.11008	0.9
251.11794	1.4
253.09781	0.8
254.10367	0.7
255.11305	1.8
256.09665	1.7
257.09225	1.4
257.12894	4.6
258.09982	3.8
259.07318	0.9
259.10757	4.3
260.11618	1.0
261.10013	0.6
263.08188	1.0
263.11798	0.6
264.08896	1.5
265.09683	3.3
267.11243	1.7
271.10803	3.1
272.11539	4.0
273.12335	11.3
274.10739	0.9
275.10287	1.3
277.09714	4.4
278.10583	1.8
279.11288	3.0
281.09286	0.6
281.12634	0.6
283.10742	1.1
287.10370	0.6
289.09006	0.6
289.11896	8.8
290.12704	2.4
291.07892	0.6
291.11191	1.0
293.09213	7.0
293.12863	2.2
294.10056	0.6
295.10736	1.1
297.12256	0.7
299.10208	1.6
300.11078	5.5
301.11957	4.6
303.13339	0.8
305.09070	1.0
305.14835	1.0
306.09824	0.8
307.10776	2.0
309.08975	0.7
309.12323	3.3
315.13412	5.6
316.11905	0.4
318.12091	4.0
319.10187	0.8
319.13373	1.1
321.12479	1.0
323.10257	1.7
324.11209	0.6
325.11951	1.4
327.13431	0.7
328.14548	0.7
332.13815	0.7
333.14444	100.0
334.14694	2.1
335.10413	0.6
337.11859	2.1
339.13458	4.6
340.14307	0.5
341.14957	1.1
349.23474	0.7
351.09763	4.0
351.15494	14.4
352.14651	0.5
355.13153	0.8
356.13910	0.5
357.14612	0.6
365.11353	1.6
366.12186	0.8
371.12164	0.6
382.11484	1.0
383.12534	1.1
384.13461	1.1
385.14090	1.1
397.13931	4.8
398.14728	1.4
399.15912	0.7
400.16602	1.1
402.18304	0.9
426.14297	0.7
428.16232	0.5
430.17599	1.3
442.17761	0.6
444.15280	0.8
446.20697	1.3
454.14020	2.1
460.18610	0.5
462.20361	1.0
472.15015	4.9
474.20322	1.6
502.19501	1.1
503.20459	0.5
504.17242	3.1
508.24435	1.4
520.20825	0.7
534.22382	25.1
535.23145	12.1
536.23730	0.7
552.23492	8.4
597.23523	0.8
599.24011	0.5
609.23431	2.8
623.24573	1.2
641.26099	7.7
659.26764	1.4
691.28174	0.8
691.39508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
61.02926	0.8
67.05506	0.8
69.03429	0.6
69.07085	0.7
69.93878	1.3
69.94272	0.7
70.06577	1.8
79.05482	0.6
79.27171	0.4
81.03379	0.7
81.07050	1.7
83.08638	0.8
84.08151	1.1
85.02907	0.8
86.05979	0.4
86.09698	1.0
91.05479	1.8
91.33328	0.5
93.07062	1.6
95.04938	0.8
95.08600	1.1
97.02875	0.8
98.21491	0.6
103.05501	0.6
105.07033	1.2
107.08596	0.9
109.06528	0.5
109.10152	0.7
111.11304	0.6
119.08593	0.6
120.08104	2.9
129.10277	0.7
131.08574	0.5
148.07607	2.5
150.09062	0.8
152.07100	0.6
162.09070	0.8
168.39468	0.5
235.08690	0.9
237.10307	1.0
247.08667	0.8
248.09610	0.7
249.10254	2.7
250.11049	0.6
251.11954	0.8
261.10342	0.9
263.11896	0.7
264.08948	1.0
265.09781	1.2
266.10538	0.6
276.08997	2.2
277.09720	5.4
278.10568	1.3
279.11172	1.0
281.12735	0.6
289.09512	0.9
291.11307	1.3
293.09378	1.0
293.12912	1.8
304.08484	1.3
305.09232	2.2
307.10751	2.5
311.10046	0.7
313.12476	0.5
319.10764	9.5
321.12357	1.1
326.13007	1.5
327.13846	0.7
332.07947	0.6
335.10178	0.7
337.08240	1.0
338.13065	0.9
340.14505	1.4
341.11667	0.7
341.15341	0.6
342.16025	1.8
347.10330	2.1
352.14410	1.1
353.11398	3.2
353.15445	0.6
354.12515	2.2
355.13110	2.4
356.13892	1.3
356.17752	1.7
365.11407	7.5
366.12326	0.9
366.16269	0.7
367.13162	0.6
368.13992	4.2
369.14850	1.3
370.15442	4.2
380.13943	1.0
381.10968	2.1
382.11664	1.7
382.15710	1.2
383.12561	0.9
384.17264	6.0
385.17889	1.2
394.16058	0.6
395.12408	0.8
396.13232	6.6
397.14084	1.4
398.14932	4.4
400.20221	1.8
408.13620	0.8
409.14719	0.6
410.15219	1.0
411.16013	0.6
412.17038	3.6
413.17419	1.5
424.12903	1.9
426.14114	4.2
428.20142	3.5
439.15710	0.8
440.16199	1.4
441.16812	1.0
442.13992	2.1
444.19357	1.4
452.12463	2.3
454.17657	2.3
456.19299	2.0
458.17288	0.8
468.15576	1.0
470.13425	5.9
472.18732	4.8
482.16980	1.1
485.15604	0.6
500.10837	1.2
500.18161	22.3
501.18796	3.3
517.39087	0.6
518.19440	2.6
532.20813	100.0
533.21423	2.8
607.21875	2.3
625.22974	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27848	0.4
53.03956	1.2
55.01871	0.6
55.05514	11.9
57.03441	11.6
57.07079	2.8
59.05010	3.4
61.02930	3.7
64.10906	0.5
65.03946	1.9
65.74937	0.5
67.05505	88.6
69.03422	1.4
69.07066	13.5
70.69145	0.8
71.05003	2.4
71.08640	1.1
73.02933	0.9
75.50669	0.5
77.16544	0.4
79.05488	7.9
81.03385	0.5
81.07055	33.7
83.05004	1.0
83.08611	10.4
85.02901	4.6
85.06541	2.9
89.06015	0.9
91.03955	1.3
91.05475	8.6
93.07049	9.4
95.08610	23.2
97.02888	1.8
97.06538	1.8
97.10170	3.4
98.09714	0.7
99.08111	0.8
105.07050	3.1
107.08585	5.7
109.10155	66.1
111.08089	3.5
111.11716	0.9
119.08580	7.1
121.10139	4.3
123.11707	4.4
125.09625	1.1
127.03931	0.5
127.11132	0.6
133.10138	3.4
135.11703	1.8
137.09639	3.6
137.13275	1.1
147.11751	2.2
149.13290	1.3
151.14844	0.6
155.10667	6.6
161.13275	2.1
163.14888	1.2
171.11745	0.5
173.11734	14.7
173.13187	1.0
175.14812	1.5
184.07291	0.7
189.16452	0.5
227.12805	1.7
229.14349	100.0
230.14604	1.3
245.22696	2.4
263.23669	3.8
337.27371	61.0
338.27686	0.9
473.35989	1.1
476.29263	0.6
491.37314	47.7
492.37457	1.7
509.38464	1.1
688.47968	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77641	0.6
53.03954	1.5
55.01879	1.5
55.05514	14.7
55.11395	0.6
57.03436	13.3
57.07078	2.6
59.05010	4.1
61.02921	4.4
65.03938	2.1
67.05505	95.8
69.03424	1.9
69.07069	14.1
70.69123	1.5
71.04992	3.3
71.08628	1.0
73.02910	1.5
73.15689	0.6
79.05497	9.5
81.07058	41.9
81.49118	0.6
83.04981	1.2
83.08618	12.8
83.09064	1.2
85.02893	4.7
85.06557	2.3
91.03959	2.3
91.05486	9.8
91.72387	0.7
93.07045	11.2
95.04958	0.7
95.08607	28.8
97.02899	2.6
97.06537	2.9
97.10182	4.9
98.86835	0.6
99.08097	1.4
105.07037	4.9
107.08598	6.9
109.10159	80.1
110.70029	0.6
111.08098	3.2
111.11726	0.9
113.06013	0.6
113.09612	0.9
119.08591	8.5
120.98347	0.6
121.10145	5.1
123.11713	4.6
125.09631	1.8
127.11177	0.8
131.08525	0.7
133.10159	4.1
135.11690	2.4
137.09604	3.6
137.13260	2.1
145.04980	0.7
147.11696	2.1
149.13287	1.4
151.11183	0.7
155.10667	7.2
161.13286	2.1
163.14841	1.0
173.11740	16.1
175.14813	0.9
180.11256	0.7
200.64294	0.7
227.12775	1.7
229.14351	100.0
230.14664	1.3
245.22662	3.4
263.23737	5.6
305.17221	0.6
337.27365	88.4
338.27798	0.7
436.43356	0.8
491.37338	95.7
492.37564	1.5
509.38342	2.3
541.98669	0.6
646.72321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
54.49757	0.5
55.01870	1.0
55.05513	11.5
57.03159	0.7
57.03442	13.5
57.07083	1.9
58.51549	0.6
59.05011	3.0
61.02919	5.3
65.03945	1.8
67.05508	100.0
69.03438	1.6
69.07076	8.2
70.09476	2.0
71.04996	3.3
73.02908	1.2
79.05496	21.7
81.07059	42.5
83.04998	0.8
83.08620	8.7
85.02910	4.6
85.06547	3.3
91.03963	2.2
91.05485	14.8
92.59122	0.5
93.07047	25.8
93.07639	1.2
95.04984	2.0
95.08612	27.6
95.47260	0.6
97.02899	2.2
97.06541	1.5
97.10172	2.1
98.21505	0.6
99.04490	0.6
99.08114	1.5
101.28784	0.7
103.05476	0.5
105.07037	7.8
107.08600	15.7
109.06545	0.8
109.10160	78.3
110.30404	0.6
111.08091	4.5
117.06996	3.0
119.08591	11.6
121.10157	12.2
123.11703	3.3
125.09651	1.6
127.11195	0.8
129.06996	0.7
131.08572	6.1
133.10132	7.1
135.11696	8.2
137.09625	3.2
137.13313	1.0
145.10139	5.0
147.11725	3.0
149.13255	3.7
151.14816	0.8
155.10683	11.2
159.11671	4.4
161.13246	2.8
163.14830	2.7
173.11745	13.4
173.13284	2.7
175.14839	1.2
187.14839	1.2
189.11290	0.6
191.73956	0.5
194.44801	0.6
195.75995	0.6
196.98843	0.5
201.16495	0.5
203.69873	0.6
213.14879	0.6
227.12787	3.7
229.14362	81.9
230.14731	1.0
243.21150	4.0
261.22144	18.3
317.24716	2.3
328.78604	0.6
335.25809	68.8
336.26059	1.9
397.31274	0.8
415.32175	0.7
435.32376	0.6
471.34680	1.0
489.35779	57.7
490.36002	2.7
507.36963	3.7
530.12250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85443	0.5
53.03951	1.2
55.01886	0.9
55.05516	10.3
57.03171	0.4
57.03442	12.4
57.07078	1.8
59.05009	3.7
61.02932	3.9
63.02721	0.6
65.03953	2.1
67.05510	90.3
69.03423	1.2
69.07069	7.3
69.25272	4.8
71.05004	3.3
73.02921	1.5
73.04734	0.6
77.94868	0.5
79.05500	19.2
81.07062	34.3
81.90688	0.6
83.08629	7.5
85.02907	3.5
85.06537	3.0
91.03983	1.2
91.05489	10.8
93.07052	21.3
95.04987	1.4
95.08616	25.6
97.02908	1.9
97.06539	1.8
97.10173	1.4
99.08127	0.9
103.38602	0.6
105.07050	5.4
107.08606	14.3
109.06533	0.9
109.10165	71.7
111.08092	3.3
117.07027	2.2
119.08587	9.5
121.10152	9.6
123.11710	3.1
125.09658	1.6
131.08595	4.8
133.10127	3.6
135.11699	6.9
137.09637	3.4
137.13292	1.7
145.10112	3.8
147.11700	3.2
149.13292	4.7
155.10681	10.1
159.11699	3.2
161.13277	2.4
163.14847	2.4
173.11751	14.8
173.13266	3.1
177.16339	0.9
179.66089	0.6
187.14873	1.6
189.11208	0.9
201.16496	0.5
208.41092	0.6
227.12810	5.1
229.14366	100.0
230.14761	0.8
243.21120	4.1
261.22153	15.1
317.24844	3.1
335.25815	69.4
336.26248	1.2
396.75974	0.7
397.31024	1.7
415.32147	1.1
471.34476	1.6
489.35785	42.9
490.35968	1.8
507.36816	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	685.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.5
55.05508	1.6
57.03433	0.5
57.07084	0.5
64.85934	0.4
67.05513	3.7
69.07065	1.4
70.10036	1.0
70.10426	1.1
71.08624	1.4
78.27651	0.4
79.05487	1.4
81.07076	2.9
83.04999	0.6
83.08624	0.7
91.05476	1.7
93.07062	2.1
95.08620	2.0
98.21469	0.5
99.08115	1.1
105.07039	1.1
107.08619	1.1
109.10216	0.7
110.52587	0.4
116.09914	0.5
119.08588	0.9
121.10165	0.4
123.08062	0.7
123.11692	0.4
133.10156	0.6
135.11690	0.9
137.09750	0.5
151.11198	0.5
152.07181	0.5
157.95952	0.5
159.11713	0.5
168.05435	0.5
179.14326	1.1
225.04381	0.5
225.97649	0.5
303.36429	0.5
317.20901	5.4
331.26361	0.6
335.21838	3.7
373.23785	2.7
391.24597	2.7
489.47272	0.5
577.70862	0.6
664.34515	0.5
685.46533	100.0
686.46814	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	684.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.6
55.01873	4.0
55.05519	27.4
57.03446	13.0
57.07076	6.6
65.03945	4.5
67.05512	91.8
69.03413	2.0
69.07077	31.4
71.04977	3.8
71.08644	10.6
71.52328	2.9
75.66632	2.1
79.05497	31.4
81.03429	3.2
81.07065	76.0
83.04964	3.2
83.08629	27.5
85.06538	4.6
85.10207	2.1
91.05468	19.3
93.07054	31.9
95.04963	3.0
95.08620	54.8
95.09243	2.7
95.23566	2.2
97.06544	8.9
97.10185	12.8
99.08080	3.9
105.07053	18.9
107.08602	19.3
108.34200	1.9
109.06536	2.5
109.10169	48.8
111.08078	5.1
117.07059	3.3
119.08599	13.3
121.10157	12.0
123.11705	8.8
125.09642	7.3
127.03943	2.9
129.06953	1.9
131.08551	4.2
133.10149	17.1
135.11717	8.4
137.09647	3.2
145.10155	3.0
147.11681	5.8
149.13290	10.1
155.10622	3.6
159.11719	3.8
161.06042	2.2
161.13268	7.2
163.14832	4.2
165.12788	2.3
171.93796	1.9
173.11783	10.6
179.14323	3.8
184.07405	2.0
189.11212	3.5
227.12805	14.3
229.14380	42.6
231.20897	2.1
245.22910	2.2
263.23669	5.5
269.17468	26.9
277.21677	14.0
294.16440	2.2
295.22711	4.6
311.25879	4.6
311.29257	2.4
320.24854	2.2
335.26050	2.2
335.42273	2.0
337.27399	100.0
338.27463	2.7
351.25391	13.3
369.26273	12.0
409.23996	1.9
435.34695	3.6
465.35550	2.4
491.37289	39.9
507.36743	3.9
509.38409	2.4
531.40527	60.4
613.48346	16.4
616.41132	2.0
631.49939	14.5
684.44775	11.5
685.44928	2.8
693.96106	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	684.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
53.03927	0.8
55.01857	0.9
55.05500	0.6
56.05032	1.6
57.03419	1.0
57.17680	0.3
57.35506	0.2
58.06582	0.3
59.26838	0.2
61.02918	0.4
65.03929	1.4
65.82227	0.3
67.05502	1.6
68.05018	0.3
69.03432	3.9
70.06594	3.1
70.38849	0.9
71.04967	0.4
72.08130	0.7
73.02908	0.9
81.03415	3.6
81.07032	0.4
83.04985	0.8
83.08623	0.3
84.08147	26.3
85.02908	8.3
85.08445	0.3
86.06064	0.6
86.09722	1.3
87.00826	2.6
91.05484	10.4
96.08128	0.4
97.02901	3.6
98.09699	1.6
99.04461	1.6
101.07127	0.3
105.01858	2.2
107.04942	1.1
108.73866	0.3
109.02884	4.3
109.10130	0.5
110.07171	0.5
110.94181	0.3
111.04496	0.6
115.03886	0.3
117.01827	0.6
119.04947	24.2
120.08128	0.7
122.16368	0.3
126.12799	17.2
127.03914	6.2
129.01875	0.6
129.05508	0.3
129.10263	0.9
136.07547	0.3
140.14342	0.4
144.04422	0.5
144.13841	33.2
145.04964	2.0
147.04413	100.0
148.04720	0.8
149.71570	0.2
158.15370	0.3
159.02904	2.2
166.08606	0.4
172.03955	2.0
173.04292	1.1
173.05780	0.3
187.06015	0.5
189.05487	0.4
201.05457	0.9
204.06587	4.4
205.06921	2.3
231.05035	0.9
275.09146	3.6
290.17511	39.8
291.17770	0.7
304.18991	0.5
357.14474	0.4
358.14944	0.8
436.23267	1.9
483.13910	0.6
547.86975	0.3
596.32019	0.3
640.29718	8.0
641.30176	0.4
684.28625	31.2
685.28961	1.1
709.51752	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50776	1.2
53.03943	3.3
55.01863	3.6
55.05516	15.0
57.03429	3.3
57.07074	3.1
58.06594	2.8
59.06113	1.2
62.05262	1.1
65.03952	1.6
67.05510	38.3
69.07078	13.7
70.07320	1.1
70.09260	3.2
70.09650	2.5
71.04980	2.2
71.08636	1.7
79.05499	26.5
80.05862	1.2
81.07063	34.4
83.04960	1.5
83.08621	4.3
85.06573	2.1
91.05480	17.0
93.07051	28.7
95.04980	2.6
95.08617	26.1
97.06540	4.5
97.10173	2.2
105.07042	13.9
107.08600	19.1
109.06532	11.9
109.10157	10.6
111.08092	1.5
117.07042	4.2
119.08598	15.6
121.10181	12.3
123.08076	37.1
123.11629	2.4
125.09568	1.3
131.08545	7.0
133.10146	10.9
135.08066	17.6
135.11703	7.0
137.09616	2.0
137.13261	2.0
145.10153	6.8
147.11670	7.2
149.09644	3.6
149.13287	2.8
151.11223	1.3
157.10234	1.8
159.11716	7.3
161.09683	1.8
161.13330	4.2
163.11226	1.5
165.12842	2.5
167.14403	1.6
173.13326	2.6
175.14902	3.0
177.12703	12.2
179.14322	21.2
191.14330	2.1
191.49483	1.4
205.15918	2.9
233.19029	1.5
247.20604	3.0
259.20645	2.2
261.22269	1.4
263.20120	3.6
275.19974	2.1
293.21243	2.0
303.26810	13.6
313.25504	2.2
329.24667	1.3
331.00409	1.2
331.26324	100.0
332.26770	1.8
333.24234	4.5
333.27972	17.9
335.25803	18.6
347.25833	1.5
349.27353	2.1
354.39142	1.3
364.56601	1.5
387.29120	1.6
402.92557	1.2
405.30026	13.0
407.31720	5.4
538.56171	1.3
665.51178	2.4
683.52490	87.3
684.52728	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	683.434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46471	0.3
54.77092	0.3
55.05508	0.4
57.07078	0.6
59.60678	0.3
69.03416	0.5
69.07067	0.4
69.81763	1.9
81.07058	0.5
83.01109	1.6
91.05475	0.5
95.04875	0.3
95.08631	0.6
99.04501	0.4
105.07113	0.5
107.08595	0.4
107.96380	0.4
109.10210	0.4
111.04207	2.0
127.03679	2.6
139.07333	0.7
141.05244	0.7
155.06798	3.0
163.19893	0.3
171.06322	2.8
173.04527	0.4
181.64793	0.4
185.07938	0.4
199.09404	2.1
215.09007	1.2
216.09697	0.5
227.12625	0.8
232.09221	0.5
243.12099	2.0
271.15210	0.9
287.14731	1.2
303.14291	0.9
315.18005	0.5
331.17386	1.6
347.16705	0.7
375.19885	0.4
394.02182	0.4
419.22641	1.3
435.21713	0.4
531.20227	0.4
538.41681	0.5
556.95996	0.4
557.29388	0.8
581.15070	0.4
581.66962	0.5
594.63684	0.4
597.32385	5.2
683.43433	100.0
684.43939	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	682.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
53.97114	2.2
55.01863	6.8
55.05513	31.5
56.67632	2.1
57.03442	13.9
57.07063	9.2
57.86314	2.4
58.90877	1.7
65.03939	3.6
66.91744	2.3
67.05507	100.0
68.05827	2.6
69.07069	29.8
69.25604	6.1
69.26015	10.6
71.04977	5.8
71.08643	10.5
79.05499	61.1
81.03417	2.3
81.06602	4.5
81.07062	89.0
83.04974	7.5
83.08636	21.3
85.06544	5.6
91.05477	38.1
93.07051	76.7
95.04994	10.0
95.08607	68.7
97.06517	9.0
97.10158	8.4
99.08086	8.3
105.06393	3.5
105.07040	35.1
107.04942	3.5
107.08605	41.8
109.06515	3.0
109.10159	32.9
111.08064	6.9
113.09632	3.1
117.07029	17.4
119.07815	2.5
119.08591	28.2
121.06515	2.8
121.09342	2.2
121.10155	26.6
123.08123	4.2
123.11700	8.7
125.09638	4.3
129.06973	8.6
130.07794	2.3
131.08565	25.2
133.10135	21.3
135.08037	3.2
135.11720	16.7
137.13211	2.5
143.08560	7.7
145.10123	17.4
147.11705	15.1
149.13268	13.0
151.11162	5.1
155.10645	2.2
157.10172	7.8
159.11639	14.4
161.13297	11.8
163.11145	4.3
163.14748	6.8
165.12769	4.3
169.10089	3.6
171.11678	7.0
173.11826	3.6
173.13254	8.6
175.14790	4.9
177.12703	2.3
179.14320	2.1
181.10225	2.5
183.11693	4.1
183.24760	2.0
185.13271	6.7
187.14847	6.8
189.12814	2.6
189.16328	4.3
189.32545	2.1
195.11743	3.0
195.13802	4.2
197.13329	3.8
199.14789	2.9
201.16391	2.4
213.16319	5.2
215.17957	3.3
227.12721	6.5
227.18056	2.9
229.14349	15.4
229.19443	2.7
241.19438	3.1
243.21097	5.0
259.20490	2.9
261.22086	13.7
269.17474	23.5
275.20020	2.4
277.21698	10.7
281.22577	2.3
316.60178	2.2
317.24854	4.9
335.25815	52.5
337.27548	3.0
351.25333	11.6
369.26422	5.3
437.34195	7.3
455.35062	3.5
473.36545	3.9
489.35773	7.1
511.37552	5.4
515.37030	8.0
517.38940	6.6
519.41858	4.3
527.36957	5.4
529.38922	89.3
530.38995	3.9
537.42761	5.8
547.39526	4.4
555.35419	2.2
611.46814	30.1
629.47827	21.2
682.42316	2.3
683.44537	2.8
709.98444	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	680.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01872	3.7
55.05267	2.1
55.05512	21.3
57.03439	5.7
57.07073	4.1
61.15097	1.0
65.03929	3.0
67.05507	53.5
69.03441	1.3
69.07067	16.9
69.14258	3.5
69.14674	8.8
71.05000	4.3
71.08633	40.2
77.03932	1.4
79.05495	49.7
81.03426	8.4
81.07057	59.3
82.26242	1.1
83.04984	10.8
83.08617	13.4
85.06556	2.8
91.05486	42.5
93.07046	67.4
94.04116	1.1
95.04971	9.8
95.08608	45.3
97.06535	10.8
97.10142	5.7
99.04509	1.3
99.08092	24.5
103.05452	1.3
105.04552	1.5
105.07037	27.6
107.04951	7.5
107.08589	33.7
109.06504	5.5
109.10152	12.5
111.00599	1.1
111.08086	5.7
113.06045	1.3
113.09639	5.1
117.07032	8.5
119.08584	20.1
121.06515	4.0
121.10153	26.7
121.11111	1.7
121.11405	1.5
123.08090	2.3
123.11733	2.8
123.15987	1.2
125.09618	1.4
129.07007	3.5
131.08574	10.0
133.06435	1.3
133.10139	18.2
135.08084	2.4
135.11697	26.5
137.09595	3.1
137.13217	1.6
141.09094	2.6
143.08569	4.2
145.10124	9.8
147.11676	7.8
149.09680	1.8
149.13269	10.6
151.11194	23.7
157.10103	4.2
159.11708	6.7
161.13268	13.5
163.11186	13.4
163.14810	1.5
165.12779	1.5
167.10620	1.7
171.11752	3.5
173.13304	2.1
175.11192	1.8
175.14848	3.2
177.12775	4.4
179.14316	74.3
184.09679	1.6
185.13301	3.3
187.14847	1.4
189.12758	2.0
191.17909	1.0
193.12186	2.7
195.13768	2.9
199.14755	1.4
221.15416	2.0
227.12840	2.0
235.16936	3.0
241.19531	3.8
247.23651	1.0
251.16397	3.7
259.20584	7.5
269.17474	19.6
277.21640	68.4
278.22034	1.5
291.16391	1.3
293.21152	4.5
295.22690	5.0
333.24295	3.3
335.25784	2.6
337.27383	10.3
347.22211	1.3
351.25302	50.6
367.24683	2.3
369.26410	1.5
527.37439	2.7
529.39185	1.7
545.38379	100.0
546.38690	1.9
627.46332	39.9
628.46442	2.0
645.46375	1.9
680.46692	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01873	3.7
55.05515	7.6
57.03435	2.5
57.07082	7.2
60.05643	2.3
67.05507	15.8
69.07067	8.8
69.39661	0.6
69.48995	0.6
71.08636	1.1
79.05493	6.7
81.07059	36.2
83.04977	2.3
83.08620	3.9
85.06538	1.2
91.05492	4.5
93.07052	6.8
95.08614	14.2
97.06539	1.7
97.10181	2.4
105.07030	4.1
107.08595	5.3
109.06519	11.1
109.10173	6.4
111.04452	14.7
111.05199	0.7
119.08577	5.1
121.10146	6.1
123.08067	2.4
123.11705	3.1
125.05990	4.5
131.08551	1.7
133.10138	5.9
135.08043	2.2
135.11681	4.2
137.05984	100.0
137.13269	1.1
143.08588	1.1
145.10165	1.4
147.08063	1.9
147.11682	7.3
149.09641	4.1
149.13283	1.5
151.07544	2.8
151.11183	1.1
157.10150	2.0
159.11783	1.2
161.09647	6.9
161.13289	2.7
163.11221	3.3
163.14841	1.1
165.09175	1.8
167.10748	0.9
171.11670	0.8
175.11185	5.0
175.14821	1.1
177.12785	1.1
179.10680	2.2
181.12216	1.1
189.12769	1.5
193.12239	1.1
203.17981	5.7
213.16414	1.6
221.19043	2.4
227.12712	0.9
231.17416	8.0
249.18556	4.1
251.04808	1.5
277.17999	37.6
295.19061	5.2
327.07825	12.7
337.27386	25.7
351.21677	14.8
351.25784	1.0
373.37970	0.7
376.49008	0.6
383.14001	6.4
383.24289	2.3
439.20404	12.1
495.26593	9.3
551.32794	4.5
607.39203	12.6
613.44653	60.0
614.45288	1.5
631.45593	1.2
645.47308	10.2
661.92474	0.8
663.45349	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	680.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01874	5.1
55.05512	25.0
57.03433	9.8
57.07082	4.0
65.03940	3.0
67.05509	68.6
68.55324	1.6
69.07074	20.7
69.34567	10.7
71.04987	4.5
71.08640	26.0
79.05497	52.9
81.03423	10.4
81.07059	72.1
83.04990	14.2
83.08633	18.9
85.06531	3.3
86.09697	2.3
87.66884	1.9
91.05487	43.5
93.07050	69.0
93.07644	3.3
95.04987	12.2
95.08611	43.1
97.06535	8.4
97.10165	6.2
99.08101	18.2
105.07040	30.5
107.04971	6.4
107.08600	36.2
109.06523	5.8
109.10155	20.0
111.08066	6.2
113.09646	3.9
115.05466	2.2
117.07027	9.2
119.08588	25.2
121.06515	5.6
121.10151	23.9
123.08103	3.0
123.11701	5.3
125.09619	5.6
129.06992	5.5
131.08589	12.7
133.06483	1.6
133.10138	19.1
135.08109	2.2
135.11693	23.9
137.09625	4.2
142.57324	1.4
143.08553	2.8
145.10127	7.5
147.08040	5.2
147.11707	12.5
149.09616	2.3
149.13293	13.0
151.11212	16.0
157.10155	4.9
159.11670	8.1
161.09489	1.8
161.13293	12.4
163.11217	8.2
163.14899	1.8
165.12773	2.3
167.14383	1.7
171.11681	2.7
173.11771	2.0
173.13263	2.3
175.11263	3.1
175.14867	3.5
177.12793	3.0
179.14313	58.2
184.07372	1.8
185.13327	3.1
193.12277	7.4
195.13814	4.0
221.15459	1.9
227.12782	2.6
229.14330	4.2
235.16873	2.9
241.19614	4.9
251.16389	2.6
259.20551	6.1
267.15869	2.2
269.17502	32.0
273.18573	2.9
275.19934	2.5
277.21634	53.8
278.21991	2.0
291.19534	4.7
293.21194	3.5
295.22693	5.1
333.23996	2.3
335.26007	3.4
337.27322	16.0
347.22412	2.1
351.25290	39.7
365.19418	3.0
365.23697	4.5
369.26416	4.5
468.59915	1.7
505.35248	5.7
522.72186	2.0
545.38409	100.0
546.38611	2.5
548.14850	2.1
609.44507	2.0
627.46368	25.2
645.47192	9.5
680.47894	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	679.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01870	1.8
55.05275	1.4
55.05516	22.8
57.03437	6.2
57.07072	10.2
61.02930	20.1
64.89661	1.1
65.03936	1.4
67.05510	80.4
68.77535	1.1
69.03429	5.1
69.07072	29.0
70.06591	1.6
71.04995	2.8
71.08630	6.0
73.02917	6.5
75.04462	2.1
79.05080	1.7
79.05502	24.9
79.95334	1.1
81.03439	2.8
81.07062	100.0
83.04987	3.0
83.08160	1.9
83.08622	23.3
85.02913	20.6
85.06531	4.3
85.10188	2.4
86.09727	1.2
89.06034	2.2
91.03957	17.2
91.05490	19.3
93.07053	34.3
95.04955	3.2
95.08614	80.1
97.02898	9.6
97.06536	8.5
97.10171	13.1
99.04440	2.0
99.08119	5.5
101.26742	1.6
105.07041	15.7
107.08609	23.9
109.02874	1.3
109.06516	3.3
109.10162	44.0
111.08079	4.2
111.11750	2.9
113.09629	2.2
115.03992	1.4
117.06965	1.3
119.08596	15.7
121.06477	1.7
121.09338	2.0
121.10157	27.3
123.08068	3.9
123.11713	21.5
125.06044	1.3
125.09637	3.0
125.13211	1.9
125.99130	1.4
127.03922	8.3
129.06926	2.1
131.08560	4.8
133.10143	18.0
135.08014	2.8
135.11716	15.3
137.09619	4.3
137.13268	10.0
139.11102	1.6
141.12756	3.2
142.07841	1.2
143.08521	2.9
145.04926	6.9
145.10126	4.4
147.07982	1.3
147.11708	13.8
149.09654	1.9
149.13251	10.7
151.07582	1.4
151.11238	2.1
151.14806	7.7
153.12758	1.3
155.14252	4.0
157.10103	1.8
159.08031	1.8
159.11632	1.4
161.13263	14.3
163.06020	11.5
163.11076	1.8
163.14847	8.5
165.12811	1.6
165.16396	7.8
167.10625	2.3
169.10066	2.1
173.13243	1.9
175.14835	12.2
177.16411	2.2
179.14330	1.6
179.17967	6.8
181.15924	2.4
189.16341	4.7
209.13278	1.6
217.19397	1.7
221.15434	2.6
229.30659	1.5
233.15192	1.4
245.22668	64.4
255.17393	1.5
263.23727	98.2
265.25342	1.5
281.24814	1.6
337.27390	69.5
355.28415	8.9
499.32455	8.4
642.21527	1.4
679.44067	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	679.2978
Annotation	1-(2-methylpropanoyl)-3-acetyl-11-methoxymeliacarpinin
Peak:m/z	Relative Intensity
53.03926	0.7
55.47142	0.7
65.03934	0.8
67.05500	1.4
69.14830	0.7
69.31162	4.8
69.31561	1.4
70.06581	2.3
70.49422	0.7
72.08136	1.0
79.05480	2.2
80.05024	1.3
81.07076	0.9
82.06561	1.8
82.88063	0.8
84.08121	1.4
86.09721	1.0
91.05454	2.3
93.05803	1.1
93.07036	4.2
94.06574	7.3
95.07348	4.8
96.08131	12.7
97.06554	1.3
98.21579	1.0
100.11223	0.8
103.05440	1.1
106.06540	4.4
107.07263	1.1
108.04519	0.8
108.08116	14.5
110.06062	1.4
110.09683	24.4
118.06520	1.3
120.04462	3.1
120.08096	16.3
122.06039	8.0
122.09668	1.1
122.47832	0.7
123.06812	1.5
124.07597	10.1
132.08086	1.4
134.05983	2.1
134.09639	2.0
135.06738	0.8
136.07571	17.7
137.75455	0.8
138.05531	1.9
138.09138	29.4
140.07018	0.8
142.71663	0.7
144.04456	2.4
146.06010	17.1
146.09599	1.7
148.07570	10.7
150.05513	1.1
150.09114	9.1
152.07080	13.3
158.06062	1.1
160.07588	2.2
162.05550	2.0
162.09184	1.2
164.07043	6.4
166.08643	70.1
172.03938	18.8
174.05530	1.4
174.09224	1.3
176.07126	1.9
182.08144	3.6
182.09677	0.9
190.05009	13.9
192.06587	0.9
192.10141	1.1
197.10719	2.0
198.11490	3.4
199.12225	0.9
200.07014	0.8
204.06564	26.5
208.09985	0.8
209.10780	2.0
210.11563	3.3
211.12218	6.5
212.09517	1.3
212.13165	2.0
213.10237	1.0
213.13864	0.9
218.08105	4.5
221.10596	0.8
222.11595	1.2
223.08769	1.4
223.12234	6.2
224.09322	1.3
224.13106	1.0
225.10258	5.4
225.13849	1.7
226.10980	3.3
227.11740	4.2
233.10851	0.9
235.08688	3.9
235.12234	2.4
236.09377	3.2
236.12921	1.5
237.10205	8.3
237.13817	1.8
238.11026	7.3
239.11772	10.9
241.13380	1.4
243.11256	0.8
244.06123	1.1
245.12955	1.2
246.07675	2.3
248.09563	2.2
249.10239	12.6
250.10962	10.9
251.08104	1.6
251.11792	17.1
252.10136	0.7
252.12489	4.1
253.09883	1.7
253.13388	7.0
255.11220	2.2
256.12115	3.2
257.12915	2.8
259.14600	1.5
262.11014	1.7
263.11789	32.0
264.08844	3.8
264.12543	6.5
265.09750	7.4
265.13388	17.2
266.10501	3.8
266.14053	1.1
267.11310	10.4
267.14746	1.5
268.11981	0.8
269.12878	5.9
271.10815	2.6
271.14432	5.6
273.12415	4.7
275.11786	1.2
276.08856	1.2
277.09744	4.4
277.12790	1.1
278.10431	4.5
279.11279	28.6
280.11996	1.7
281.12872	14.1
282.10028	2.3
282.13385	0.9
283.10800	3.9
283.14386	1.7
284.11597	3.5
285.12323	16.9
285.15302	1.5
287.13937	3.7
291.11304	26.9
292.12085	6.2
293.12820	25.3
295.10825	6.7
295.14047	1.1
296.11737	1.9
297.12338	46.8
298.13046	3.7
299.13898	24.5
303.13312	1.1
304.08395	1.3
305.14990	1.7
307.10812	3.1
309.12344	29.0
310.12845	1.1
311.10291	3.6
311.13910	13.0
313.15482	1.5
315.13403	22.0
316.14038	1.5
319.10770	20.4
321.12286	6.0
323.10373	8.0
323.16577	4.0
324.11105	1.1
325.11826	31.8
327.13409	5.0
329.15060	1.0
330.16031	0.9
337.11816	93.2
338.12271	2.0
338.19031	0.9
339.13425	5.1
341.11465	3.7
343.12933	2.8
351.13553	1.5
355.12811	2.9
356.13696	0.9
357.14508	9.6
358.15375	1.3
362.18665	1.1
363.75156	0.8
365.10922	0.8
369.14462	6.6
370.15228	1.3
371.16095	2.6
373.13864	4.2
383.12405	1.3
388.16281	1.0
390.18338	1.1
398.14984	1.6
399.16022	2.2
401.13391	7.7
402.18073	2.1
404.19824	2.9
416.15704	1.6
420.19183	1.8
423.20981	0.8
430.17557	1.8
432.19247	2.4
433.15686	1.3
434.21097	1.1
444.19162	2.7
446.21765	3.5
448.18665	1.5
449.19440	3.8
450.20035	6.4
458.17081	2.9
462.20300	7.9
464.21982	65.5
465.22183	1.4
466.24051	1.0
472.18573	3.9
474.20358	1.1
476.18127	5.4
478.20160	1.1
482.19299	3.3
490.19733	100.0
491.20074	2.8
492.21365	2.5
494.19400	1.1
508.20703	8.9
514.21906	2.5
522.22375	71.9
523.23041	5.1
526.21881	1.0
585.27094	1.2
587.24805	3.0
593.23865	1.3
603.27667	3.1
611.25043	10.6
619.28052	0.9
629.26038	15.0
643.27356	1.4
647.27051	52.3
661.28125	0.8
679.29755	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	679.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63837	0.5
55.05504	1.0
56.55393	0.7
57.03421	0.6
61.02905	0.5
62.20357	0.5
65.03927	1.4
67.05500	1.8
68.04990	0.5
69.03426	1.2
69.07067	0.9
70.06600	7.5
70.95798	0.9
70.96145	0.8
72.08131	1.7
74.06068	0.5
78.50796	0.6
79.05488	1.5
79.64960	0.5
80.05021	0.9
81.03401	1.4
81.07050	1.9
83.08634	0.7
84.04494	1.2
84.08138	6.1
85.02917	2.6
86.09709	4.4
89.03921	0.8
91.05476	1.6
93.07047	1.6
94.06578	4.1
95.04982	0.5
95.08580	0.8
96.04482	1.4
97.02901	0.5
98.09696	1.1
100.11211	0.7
101.07099	0.5
105.07036	1.7
106.06541	1.3
107.07346	4.8
107.08559	0.5
108.08126	8.7
109.02869	0.5
109.10104	0.5
110.06024	0.6
110.07135	1.2
110.09670	0.7
111.08104	0.5
111.66885	0.6
112.07598	1.2
115.08706	0.7
116.04978	2.4
117.30508	0.5
119.04973	0.9
119.08598	1.0
120.04452	4.1
120.08116	2.9
121.08864	0.7
121.10094	0.7
122.06039	3.6
122.09675	10.6
122.10507	1.1
127.03857	0.6
129.10233	2.4
134.06023	0.9
135.06783	1.9
136.07574	3.1
138.05525	4.4
138.09154	1.2
140.07051	3.1
144.04463	6.7
146.06024	2.8
147.04393	0.7
148.07564	1.2
150.09149	86.8
151.09506	0.8
152.07072	2.5
158.08147	1.3
159.07697	0.8
160.03911	1.2
160.07524	0.8
162.05502	2.7
163.11162	0.6
164.07083	0.9
166.04991	1.7
166.08682	1.3
172.03943	47.0
178.05006	0.8
180.06625	0.9
190.04999	8.0
192.06598	0.8
194.08168	1.6
196.09904	0.7
204.06570	60.0
205.06775	0.8
209.10760	0.8
210.14905	0.8
211.08664	0.7
212.09192	2.5
213.10216	1.3
215.11867	1.5
221.10808	0.5
223.08615	0.7
223.12204	0.9
224.09515	1.7
225.10233	2.3
226.10954	0.8
229.13359	1.6
235.08722	0.7
236.09467	2.0
237.10234	6.8
238.11073	1.6
239.08144	1.2
239.11885	3.0
241.09686	1.9
243.11269	1.2
248.09071	1.3
249.10313	1.1
251.08173	1.5
251.11774	5.1
252.09000	1.1
252.12535	1.0
253.09760	2.9
255.11255	1.1
257.12894	4.7
263.11707	0.9
264.08636	0.6
265.09723	10.2
266.10593	2.2
267.11203	2.9
268.12039	0.7
269.09531	0.6
269.12808	0.8
271.10855	2.0
278.06537	1.3
279.11261	6.5
280.08505	1.7
280.11859	1.0
281.09354	1.3
281.12912	2.8
283.10812	5.6
285.12292	1.6
287.05569	2.6
288.05798	2.2
289.06152	2.6
289.09402	0.7
290.06396	1.3
291.06656	0.8
293.09198	10.4
293.12415	1.0
294.09943	2.7
295.10803	2.0
297.12408	4.7
299.10306	1.2
300.11050	0.6
301.11935	1.5
303.13446	2.3
307.10754	3.2
309.12329	6.3
311.10284	2.2
312.11145	1.7
313.11893	4.8
313.15298	1.0
325.11823	9.8
327.13257	1.3
329.11246	1.0
332.14020	0.6
335.10358	3.9
339.13681	0.9
340.10614	1.3
341.11285	5.2
341.14954	23.7
344.14160	0.9
346.15475	1.3
347.16458	1.6
353.11304	8.9
359.12689	1.0
360.17148	1.6
367.13083	1.2
370.16248	0.7
373.13751	0.9
374.14825	1.3
374.18744	2.0
378.18204	0.8
385.13919	5.9
386.14905	0.9
388.16632	1.8
390.14328	0.6
402.18433	1.0
404.16418	0.8
406.17654	5.4
416.16083	0.9
417.16763	1.9
420.19156	0.7
422.20694	1.0
430.17758	1.1
431.13370	0.8
434.17114	2.3
444.18930	1.0
447.18246	0.8
448.18759	1.3
449.19391	7.2
462.20258	19.1
464.16916	0.6
472.18567	2.1
475.17160	0.9
490.19760	100.0
491.20013	2.2
494.22787	5.7
504.21362	7.5
508.20651	1.3
522.22375	49.3
589.92603	0.6
597.23212	1.5
599.21399	0.7
611.24939	2.0
629.26312	0.9
647.25409	0.8
661.27222	0.7
679.25079	0.7
679.37952	1.3
679.50653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88413	0.5
51.84745	0.6
52.97991	0.5
64.74036	0.5
65.03936	1.1
67.05510	3.6
68.05043	0.7
69.28667	4.5
70.06577	2.1
79.05476	1.2
80.05009	1.0
81.07043	0.9
84.08125	1.6
86.09707	0.7
89.03926	1.4
89.26792	0.5
91.05482	1.5
92.04987	0.7
93.05765	1.8
93.07036	1.2
94.06575	9.8
95.04955	1.3
96.04494	3.3
97.06522	0.5
98.06023	0.6
101.45382	0.5
105.07036	1.0
106.06537	1.8
107.07341	8.7
108.04469	0.8
108.08123	38.3
110.06041	2.7
110.09673	1.0
112.07617	4.1
116.04986	6.7
120.04462	4.3
120.08100	2.2
121.06487	0.6
121.08905	1.1
122.06030	29.4
122.09682	14.8
124.07597	1.2
126.05505	0.6
132.04457	1.0
133.74968	0.5
134.06038	3.7
135.06804	3.0
136.07584	41.9
138.05489	2.2
138.09138	1.1
140.07072	22.4
144.04454	13.6
146.06029	10.6
148.07568	1.6
149.08344	2.1
150.05519	1.6
150.09148	100.0
152.07048	3.8
158.08141	20.0
160.03937	5.6
162.05527	5.0
164.07072	73.4
165.07362	0.5
166.04997	1.9
166.08612	1.5
167.70280	0.5
170.08102	0.8
172.03940	74.9
173.04671	0.7
174.05528	4.4
178.04982	0.9
180.06462	0.6
182.08138	56.6
184.09770	0.6
186.09247	0.9
188.07095	0.6
190.05005	23.2
192.06593	1.4
196.09908	0.7
197.10707	0.6
198.09161	1.9
204.06566	80.2
206.08199	0.7
209.10814	0.8
211.08717	0.8
212.09441	1.0
213.10266	1.0
215.11755	1.8
216.06564	1.0
222.11568	0.8
223.08704	1.1
224.09512	2.0
225.10202	2.3
226.10930	0.7
229.13451	1.8
231.14938	2.5
236.09343	1.3
237.10242	6.4
238.10951	1.1
239.08131	1.0
239.11786	3.3
241.09761	1.9
243.11320	8.2
249.10307	1.5
250.07193	0.6
250.11006	1.4
251.08209	1.6
251.11800	5.3
252.08977	2.0
252.12531	0.7
253.09749	3.7
253.13440	1.8
255.11256	2.6
255.14989	0.8
257.12860	4.1
259.10855	1.4
263.11838	1.8
264.08972	0.8
265.09763	11.1
265.12845	0.8
266.10379	2.7
267.11285	4.4
271.10745	1.7
278.06610	4.5
279.08011	1.1
279.11273	7.0
280.08499	1.3
280.12030	1.3
281.09390	1.4
281.12802	7.9
283.10776	5.2
283.14423	4.4
285.09467	1.0
285.12384	12.2
289.09848	0.8
291.11398	0.7
293.09216	13.2
294.10022	3.6
295.10574	1.0
296.11584	0.8
297.12311	3.8
299.10294	2.2
299.13980	1.6
300.10907	0.7
301.11835	1.9
302.12589	0.5
303.13394	26.0
307.10620	3.7
309.12332	33.7
310.13007	0.7
311.10248	2.3
311.13684	1.1
312.10938	2.7
313.11850	3.7
319.12885	3.1
321.14453	10.1
323.10318	1.7
325.11823	8.6
327.13446	4.8
335.10236	6.8
339.09933	0.7
339.15479	2.3
340.10477	2.2
341.11285	5.4
341.15018	17.4
343.12967	0.8
353.11371	10.9
355.13205	0.9
373.14005	0.9
385.13861	4.1
404.19629	0.9
418.21472	0.8
420.19519	0.9
421.20255	0.9
430.17490	1.0
434.21027	0.7
444.18674	0.8
446.21066	0.7
448.18332	3.7
449.19562	4.5
462.20578	5.4
466.19986	1.3
472.18689	1.9
474.16428	0.8
476.18100	1.0
480.17883	2.4
490.19748	96.4
491.20169	2.3
492.21640	1.8
494.19025	0.9
494.23050	0.9
498.18771	2.1
504.21225	1.4
506.19156	0.8
508.20743	2.4
510.18344	0.8
512.20398	4.6
522.22345	21.3
523.22577	0.7
524.20551	0.7
530.21381	3.3
558.21509	0.6
585.27069	1.3
601.26337	0.7
611.24622	3.4
625.26831	1.1
629.26007	3.1
643.27740	1.7
647.27069	4.0
661.28540	4.6
679.29865	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
55.01889	4.5
55.05514	35.3
55.83507	2.1
56.30098	2.4
57.03440	9.9
57.07077	8.4
58.06596	1.9
59.05012	2.7
60.08157	2.1
65.03938	2.4
67.05508	70.4
69.03429	4.5
69.07068	35.0
70.06594	6.8
71.05000	3.5
71.08633	38.2
79.05499	53.0
81.03432	13.7
81.06590	4.1
81.07061	75.4
82.07374	2.7
83.04991	12.7
83.08626	18.8
85.06547	5.6
86.09705	14.5
91.05486	40.3
93.07050	59.4
95.04974	13.9
95.08611	46.3
97.02890	2.5
97.06527	8.6
97.10166	11.8
98.21511	5.0
99.08109	23.3
105.07041	26.1
107.04982	11.4
107.08600	38.8
109.06527	9.8
109.10143	20.7
111.04458	4.3
111.08084	7.0
113.09596	2.3
116.07112	11.6
117.07012	10.9
119.08580	23.6
121.06535	10.9
121.10145	21.6
123.08089	5.2
123.11736	8.2
125.00023	4.0
125.09644	7.4
127.11195	2.2
129.07005	7.5
131.08594	11.0
133.10147	21.0
135.08080	5.6
135.11702	26.9
137.02383	2.6
137.05963	3.5
137.09612	5.7
139.11174	2.2
143.08536	3.3
145.10094	10.5
147.08076	2.5
147.11728	10.1
149.09578	5.7
149.13268	8.2
151.11151	10.9
157.10184	2.2
159.11740	5.8
161.09645	2.9
161.13281	8.6
163.11148	10.4
166.53342	1.8
167.10730	3.1
173.09677	2.5
175.11089	2.6
177.12778	6.3
179.14323	62.6
184.07321	18.4
185.13211	3.0
187.14886	2.5
191.10555	2.5
209.11829	5.0
227.12715	5.4
235.17044	2.1
243.15785	2.4
253.14374	3.3
259.20639	3.4
267.15939	4.3
273.18445	3.0
275.20056	8.7
277.21646	43.6
283.15381	10.2
289.18024	6.0
291.19431	3.3
293.21109	91.2
295.22772	3.1
307.18839	3.5
313.27322	5.0
331.23557	2.6
335.25879	10.4
336.25751	2.0
337.27393	31.9
348.26111	3.0
349.23599	3.1
351.25314	30.8
365.23334	3.0
367.24902	40.2
381.22900	9.9
464.93488	2.2
481.38309	3.0
527.37628	2.4
543.37152	3.3
545.38300	12.8
625.44409	9.2
643.45752	100.0
660.44373	5.0
678.45880	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	678.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02419	1.8
53.03937	6.8
55.01875	4.6
55.05513	24.8
57.03442	11.1
57.07056	5.5
59.04992	2.1
60.08169	9.8
62.82333	1.8
64.84341	1.8
65.03934	3.0
66.15956	1.8
67.05507	70.6
69.03429	3.5
69.07079	30.0
70.75858	4.8
70.76174	2.1
71.04980	8.3
71.07347	4.4
71.08637	20.6
72.92022	2.0
79.05080	3.9
79.05501	49.6
81.03404	8.8
81.06599	3.8
81.07060	76.1
83.04978	10.4
83.08611	9.4
85.06538	5.4
86.09709	28.5
91.05486	47.9
93.06501	3.3
93.07048	61.1
95.05007	11.6
95.08614	43.0
97.06539	27.5
97.10150	7.6
98.98462	2.7
99.08102	13.5
104.10720	2.7
105.07038	40.0
107.04942	8.6
107.08599	37.6
109.06510	9.9
109.10159	25.6
111.04409	2.3
111.08060	6.3
115.07561	7.9
117.07019	13.1
119.08581	24.9
121.06494	4.9
121.10146	23.3
123.08062	5.3
123.11682	3.6
125.00020	19.3
125.09645	6.2
129.06987	6.9
131.08585	19.7
133.06479	2.0
133.10126	28.9
135.04298	2.3
135.08035	6.0
135.11707	20.3
137.09595	3.6
143.08531	6.0
145.10104	12.4
147.08041	4.3
147.11690	10.1
149.09590	6.1
149.13266	7.4
150.48343	2.3
151.11211	13.1
157.10143	3.6
159.11714	8.4
161.09581	5.3
161.13245	11.4
163.11252	3.8
163.14853	2.4
167.10660	2.5
169.12315	2.5
171.11656	6.5
173.13228	3.7
175.11176	2.6
175.14867	2.4
177.12756	4.4
179.14307	29.3
184.07350	100.0
185.13255	3.8
187.14842	2.8
197.13409	2.7
217.15837	3.0
243.21144	3.3
253.14319	12.6
257.19098	2.8
259.20581	9.3
261.22147	5.5
273.18539	12.4
275.20117	10.2
277.21652	21.8
291.19559	8.1
293.21155	42.5
333.24246	8.7
335.25821	27.6
337.27414	7.1
349.23904	3.6
351.25284	15.7
365.23279	5.0
367.24762	26.0
383.24753	2.6
529.39386	9.8
545.37970	2.5
611.46777	2.7
625.44855	13.2
628.34680	2.2
643.45801	43.4
678.47369	10.2
703.30615	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	678.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.05499	0.8
57.07079	19.8
69.03432	0.7
69.07072	1.6
71.08636	39.0
73.06552	2.5
77.03984	0.6
79.05515	0.9
83.08604	0.9
85.09668	0.9
85.10186	24.2
87.04475	21.7
89.06036	100.0
91.05477	10.0
91.07595	0.7
93.07052	4.9
95.04981	1.4
97.14433	0.6
103.05463	1.7
105.04575	0.7
105.07026	3.8
107.04957	3.1
107.07085	0.9
107.08589	2.2
117.07044	1.8
117.09129	2.2
118.07824	1.0
119.04949	2.4
119.08577	4.5
121.06503	18.1
121.10127	1.2
127.14806	2.2
129.06975	0.8
130.07777	0.8
130.08650	1.5
131.07040	12.9
131.08531	1.5
133.08609	78.4
135.08064	5.2
135.11720	2.6
136.05240	1.1
137.43016	0.7
138.89555	0.6
144.12096	0.6
145.10149	1.3
147.08066	9.9
149.09612	3.5
149.13272	1.1
150.06799	3.0
161.09619	0.6
163.11215	4.0
165.09128	8.8
167.10722	1.7
173.09660	0.8
175.09700	8.4
175.11153	0.8
176.98802	0.7
177.11241	33.5
177.12521	1.3
179.68983	0.7
191.10649	4.6
191.12251	0.9
191.14171	0.7
193.12312	2.3
207.10164	0.7
207.13924	0.9
209.11694	5.1
211.13327	3.9
212.46619	0.6
219.12347	2.1
221.13821	8.4
221.15775	0.8
223.15436	0.7
235.13309	4.7
247.20575	19.0
253.14458	1.7
255.15944	4.2
265.16504	4.3
273.22058	4.0
279.16046	1.7
283.17627	1.3
284.12497	0.6
289.21649	0.9
289.25250	1.8
291.23196	35.4
297.17114	0.9
299.18613	1.5
309.19156	1.9
315.18176	0.9
317.24704	4.3
323.18695	1.5
327.20078	1.0
335.25824	11.9
353.21777	2.1
359.20880	0.9
417.31171	0.7
441.32187	0.8
491.28693	1.0
529.37146	0.7
535.30988	4.8
573.40808	0.8
617.42621	1.6
661.45184	20.4
678.47931	14.1
679.48383	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01873	0.2
55.05515	0.9
55.36261	0.2
56.04791	0.2
56.05042	2.6
57.03440	0.2
59.46704	0.2
63.79870	0.2
65.03940	1.4
67.05514	2.9
68.45696	0.2
69.03434	0.8
69.07070	0.5
69.29365	1.6
70.06605	2.0
71.04997	0.5
72.08155	0.5
79.05506	0.7
81.03442	1.2
81.07069	2.2
82.06583	0.2
84.08154	46.1
85.02914	1.0
85.06501	0.2
85.08504	0.4
86.09733	0.9
91.05494	12.5
93.07065	2.3
95.04954	0.2
95.08636	0.2
97.02892	0.7
97.06534	0.5
97.08935	0.4
98.09695	1.5
99.04472	0.9
105.07048	2.2
106.19865	0.2
107.08604	2.1
109.02891	1.2
109.06535	0.4
109.10175	0.7
111.08104	0.3
117.07027	0.2
119.04961	26.2
119.08615	0.6
120.08148	0.6
121.06526	0.9
121.10155	3.3
124.11300	0.2
126.12807	23.4
127.03941	1.2
127.07607	0.4
127.13133	0.2
130.07825	0.2
135.08107	0.8
135.11729	0.9
144.13852	9.8
145.10133	2.2
147.04427	100.0
148.04782	1.0
149.09604	1.0
163.11203	5.8
167.10669	1.2
172.03947	0.2
173.09656	0.5
181.12262	1.2
191.10684	4.3
192.83612	0.2
209.11713	1.7
227.12839	1.8
290.17465	1.2
335.14801	0.2
353.16040	1.1
616.34583	0.5
678.34912	76.2
679.35095	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	678.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57714	0.2
53.82782	0.2
55.01865	0.3
55.05497	0.8
56.05036	1.9
57.03430	0.2
57.08506	0.2
65.03935	1.3
65.75293	0.2
67.05503	2.1
69.03416	0.6
69.07060	0.5
69.44283	0.9
69.44694	0.4
70.06602	1.0
71.04996	0.5
79.05489	0.7
81.03411	1.3
81.07052	2.2
83.04935	0.2
84.08144	31.8
85.02905	0.8
85.06537	0.2
85.82811	0.2
86.06023	0.2
86.09689	0.4
88.04169	0.2
91.05480	13.2
93.07050	2.5
95.04966	0.6
95.08614	0.4
96.08145	0.2
97.02901	0.6
97.06513	0.4
97.08897	0.3
98.09688	1.5
99.04473	0.9
105.07034	1.9
107.08586	2.0
109.02869	1.1
109.06512	0.7
109.10160	0.8
111.08099	0.4
117.06994	0.3
119.04943	28.0
119.08582	0.8
120.08118	0.3
121.06529	1.0
121.10142	2.9
126.12794	21.5
127.03915	1.1
127.07552	0.3
129.10202	0.3
135.08076	0.7
135.11711	0.5
139.07533	0.2
139.11198	0.2
144.13837	25.7
145.10124	2.2
145.14116	0.2
147.04410	100.0
147.11714	0.5
148.04771	1.0
149.09561	1.0
163.11188	4.7
165.05424	0.2
167.10683	1.1
169.08606	0.3
173.09669	0.4
181.12198	1.0
191.10675	2.8
209.11754	0.8
227.12772	1.0
255.06508	0.3
272.16550	0.3
290.17624	1.3
309.17029	0.3
353.16037	0.6
381.82953	0.2
586.85400	0.2
616.34534	0.3
646.24829	0.3
660.33557	0.4
678.34827	81.4
679.35114	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	677.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43352	4.6
55.05499	19.8
57.03427	13.5
57.07058	6.2
60.57852	4.6
61.02938	22.1
66.72112	4.8
67.05184	6.5
67.05509	92.4
69.03408	4.8
69.07068	16.8
70.17670	10.8
70.96808	4.6
71.04977	6.1
73.02905	9.0
75.04491	4.6
76.01764	4.7
76.97849	4.5
79.05496	51.2
81.03402	8.0
81.06599	6.6
81.07060	91.9
83.08595	14.8
84.08155	5.3
85.02887	27.0
85.06544	6.0
88.07610	5.2
91.03943	20.2
91.05489	36.5
93.07047	73.8
95.04989	4.4
95.08611	67.1
97.02867	12.5
105.07034	26.8
107.08600	47.9
109.10154	49.2
117.07011	12.9
119.08564	24.8
121.10146	47.5
123.11719	24.5
123.21811	4.6
127.03930	13.0
131.08528	28.6
133.10112	21.0
135.08125	5.9
135.11696	34.0
137.13242	6.6
145.04955	6.7
145.10126	27.3
147.11708	11.4
149.09592	5.1
149.13243	25.2
157.10149	7.1
159.11708	19.9
161.13257	13.7
163.05975	12.1
163.14835	18.0
165.12769	5.0
173.13237	19.0
177.16368	11.4
187.14830	11.4
193.04881	5.6
201.16365	8.3
243.21024	32.9
256.26437	18.1
261.22174	100.0
275.19913	6.0
279.23206	7.9
335.25851	37.6
343.15085	4.8
344.04593	5.2
353.26849	42.5
497.30896	8.1
659.40314	6.1
677.53857	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	677.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.05515	13.1
57.03436	5.0
57.07075	3.3
59.14190	1.3
61.02931	23.4
63.93226	1.0
65.03937	1.6
67.05511	59.8
67.88770	1.4
69.03428	3.7
69.07076	13.5
70.06598	1.6
71.04987	3.1
72.08159	1.8
73.02925	9.8
75.61076	1.3
79.05499	43.1
81.03417	2.5
81.07063	71.9
82.07384	1.1
83.04993	2.3
83.08632	7.2
85.02912	24.3
85.06536	3.3
86.09731	2.8
91.03414	2.3
91.03957	28.6
91.05485	21.0
93.07047	57.6
95.04965	3.9
95.08613	52.5
97.02892	13.1
97.06526	2.6
97.10149	2.4
99.04441	2.4
99.08095	2.0
105.07034	17.3
107.05006	1.6
107.08605	34.6
109.02888	1.2
109.09474	2.3
109.10165	30.3
111.08089	2.2
113.09564	1.2
115.03961	1.2
117.07017	10.3
119.08598	16.6
121.09335	2.5
121.10153	31.7
123.08099	1.4
123.11716	18.8
125.09668	1.6
127.03924	10.1
130.07803	1.3
131.08578	20.0
133.10144	15.4
135.11702	30.5
137.09583	2.4
137.13245	8.1
139.11151	1.9
143.08565	2.7
145.04976	14.3
145.10114	15.2
147.11696	13.0
149.09648	1.6
149.13269	19.6
151.11171	1.6
151.14832	1.3
153.12788	2.5
159.11678	12.4
161.09518	1.4
161.13281	10.4
163.06038	20.9
163.14856	15.1
165.12758	2.1
171.11574	1.7
173.13248	14.4
175.14838	3.9
176.50974	1.2
177.16379	5.3
179.14323	4.0
181.10115	1.4
187.14862	9.1
189.16331	1.4
201.16405	3.5
205.16020	2.4
215.18042	1.7
219.17484	1.7
223.14880	1.3
233.22621	4.1
243.21107	34.5
261.22159	100.0
262.22391	1.8
263.23666	3.0
279.23203	2.9
335.25858	19.4
353.26892	33.5
389.05704	1.4
445.19034	2.0
497.31305	3.7
509.37747	1.4
617.22852	6.5
645.22064	7.9
677.34906	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	677.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01864	1.4
55.05515	13.7
57.03434	6.6
57.07064	3.6
57.99710	1.0
61.02652	1.4
61.02929	19.4
65.03943	1.1
67.05508	73.0
69.03421	3.3
69.07080	12.2
69.29984	5.9
69.30400	2.9
69.40139	1.0
71.04985	4.5
71.08610	1.6
73.02902	6.5
74.55064	1.3
79.05493	42.3
79.49973	0.9
81.03426	2.0
81.07059	79.0
83.04970	2.3
83.08629	7.7
85.02910	20.9
85.06530	2.0
91.03416	1.6
91.03957	17.9
91.05482	20.9
91.13390	1.2
93.07047	55.4
95.04970	1.5
95.08611	65.5
97.02914	8.7
97.06522	3.4
97.10146	2.9
99.04434	1.8
99.08098	1.8
101.94085	1.0
103.05500	1.0
105.07026	15.8
107.08595	38.6
109.06530	1.8
109.10157	34.5
111.08037	1.6
113.09599	1.3
115.05456	1.1
117.07025	10.3
119.08578	16.4
121.10146	35.5
123.08064	1.8
123.11717	20.7
125.09615	1.3
127.03920	4.4
129.06973	2.0
131.08582	19.1
133.10139	16.9
135.08174	1.1
135.11694	28.8
137.09622	1.8
137.13248	7.3
139.11218	2.0
145.04996	9.0
145.10120	14.7
147.11700	12.6
149.13258	22.4
151.11191	2.4
151.14833	2.3
153.12718	1.7
155.96411	1.1
159.11688	12.7
161.13255	10.9
163.06024	11.7
163.11256	1.1
163.14833	15.7
165.12779	2.5
173.13275	14.8
175.14818	3.0
177.12672	1.3
177.16389	5.9
179.14301	2.7
187.14824	8.6
191.14261	1.4
201.16370	3.0
205.15808	3.4
215.17854	1.8
219.17392	1.8
233.22696	3.4
243.21088	35.7
261.22144	100.0
262.22556	1.8
263.23676	1.6
279.23236	6.7
315.31311	1.2
317.24612	1.3
335.25815	30.1
353.26852	43.6
497.31070	9.0
561.97791	1.2
649.48035	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
57.03413	0.9
61.02932	0.9
64.31007	0.6
65.32993	0.7
67.05493	3.0
69.03479	0.8
69.07062	1.1
70.06605	3.5
70.06922	0.7
71.52143	1.0
72.08150	1.2
72.90338	0.7
76.17759	0.6
77.25178	0.6
79.05487	2.6
80.05016	1.0
81.03395	1.0
81.07047	1.6
83.08645	0.7
84.08134	2.6
85.02900	1.4
86.09687	1.9
91.05481	2.6
93.07044	2.6
94.06574	1.1
95.04961	1.0
95.08600	1.8
97.02870	1.1
97.06532	0.7
98.09701	1.3
103.05455	1.3
105.07013	2.9
106.06546	0.7
107.08588	0.7
108.08128	5.1
109.10128	0.8
109.34316	0.7
110.06021	1.9
110.07169	0.9
112.35807	0.6
117.07066	1.0
119.08564	1.0
120.08093	5.2
121.06512	1.0
121.10204	0.9
122.06013	4.0
122.09659	2.0
129.10297	1.2
130.06520	4.0
131.08531	1.0
132.08075	3.5
134.06006	1.0
136.03914	1.4
136.07602	3.1
138.05377	0.9
143.08525	0.8
144.08080	4.1
146.06004	2.1
146.09674	2.0
148.07559	2.3
150.09097	1.7
154.05000	1.7
157.07599	0.8
157.08925	1.0
158.06021	32.2
158.09634	3.8
159.09161	1.0
160.07611	6.2
160.09921	2.6
170.05916	1.1
170.09676	2.0
172.07561	4.2
172.11247	1.6
173.08336	0.8
174.09167	1.9
175.12331	3.4
176.07076	2.6
185.07111	2.2
186.05536	4.6
186.07834	3.2
186.09256	1.8
187.06235	1.3
187.08687	2.1
188.07059	1.0
188.09465	4.8
190.08629	4.1
192.10237	1.6
198.05524	1.5
198.09180	1.7
199.08736	1.8
200.07089	6.3
200.09334	1.5
201.10280	1.7
202.08722	1.0
203.11783	3.5
204.06569	4.4
204.10185	1.7
213.06583	3.4
214.07352	10.4
215.08141	2.4
215.11836	3.1
216.06599	3.5
217.13489	0.7
218.08130	83.6
219.08855	3.4
220.09729	2.8
225.10254	1.2
226.08922	1.3
227.08208	1.9
227.12125	0.7
228.08893	3.3
229.09756	4.4
231.07698	1.0
236.09204	21.9
237.10223	1.5
241.06076	3.6
241.09727	2.8
243.11311	13.4
244.06119	3.8
246.07613	10.9
250.10765	100.0
251.11748	2.9
252.12566	1.7
253.09819	1.2
255.11186	1.1
259.07095	1.1
259.11044	1.0
261.12350	6.8
262.07126	2.0
263.07861	3.3
264.08734	5.5
269.09274	2.1
271.10803	33.7
276.08752	2.6
279.11209	2.3
287.05316	0.7
287.10352	5.2
289.11844	55.2
290.12161	1.1
292.08386	0.9
293.12704	1.5
295.10852	2.7
297.12216	1.3
311.13864	3.0
315.13379	0.9
321.12317	4.7
323.10211	2.2
336.07428	1.0
339.13412	32.1
340.13998	1.2
351.09732	9.5
353.15082	0.9
357.14462	22.5
365.11377	1.6
370.11780	0.8
371.11908	1.3
371.16098	16.9
372.16763	1.4
389.17072	2.0
400.16495	2.3
401.13455	3.7
424.75635	0.7
428.16144	3.4
432.19250	2.0
442.17334	1.1
444.19421	1.8
460.18796	3.4
461.28683	0.9
462.20404	1.0
462.29727	0.9
472.18945	4.0
480.29913	1.0
488.11307	0.9
488.18204	9.1
489.19315	1.6
490.19806	8.2
504.20776	0.9
520.20807	34.9
521.21167	0.8
591.22192	0.8
591.94006	0.7
609.23291	4.5
627.24933	3.4
645.25513	3.7
675.39130	0.7
677.28003	0.9
677.40424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82401	0.6
53.03952	0.9
61.63779	0.6
69.37773	2.8
69.38181	1.7
70.02966	0.6
70.06583	5.8
79.05518	1.0
80.05020	1.4
81.03451	0.7
81.05836	0.8
82.06590	1.7
84.04488	0.6
84.08159	1.9
86.09712	3.7
91.05465	1.6
93.05793	0.8
93.07046	3.5
94.06581	5.3
95.04990	0.7
95.07358	3.2
96.08123	7.8
98.09691	1.7
106.06586	1.3
107.07325	0.9
108.04491	2.0
108.08124	11.0
108.08804	1.1
110.07197	1.0
110.09688	11.0
114.44748	0.6
116.05022	3.6
118.06533	1.2
120.04459	3.3
120.08111	11.6
122.06032	5.6
124.07603	8.7
129.10252	1.1
132.04390	1.1
134.06029	2.2
136.07582	10.6
136.08566	0.9
138.05560	1.2
138.09155	13.5
144.04457	4.1
146.06023	5.7
147.04410	1.4
148.07574	4.5
152.07117	2.1
158.06117	0.7
160.03992	2.7
160.07626	1.2
162.05450	3.3
164.07097	2.6
166.08661	14.0
170.09732	1.2
172.03938	18.0
174.05577	1.7
176.07062	3.9
180.92551	0.7
182.09796	1.0
185.10812	1.4
186.09230	0.8
190.05003	17.7
190.40202	0.6
195.09367	0.6
197.07149	0.8
197.10698	1.0
198.07785	1.2
198.09485	0.9
199.08708	1.9
199.12517	0.8
204.06573	31.4
210.09293	0.6
210.11407	0.8
211.08694	1.3
212.09543	1.9
213.10252	4.2
214.11008	0.9
215.11877	2.7
223.08698	0.9
223.12325	0.9
224.09482	1.5
225.10301	2.4
226.08688	0.8
226.11032	0.9
227.08261	0.9
227.11758	3.1
229.09708	1.0
229.13469	1.3
236.09586	2.3
237.10275	2.9
238.11044	1.3
239.11870	1.7
241.09698	3.5
242.10609	0.6
243.11296	11.4
249.10342	2.5
250.11006	1.4
251.08289	1.3
251.11717	3.0
252.09084	1.1
253.09752	1.5
254.10550	1.0
255.11348	2.1
257.12885	1.5
263.08264	1.4
263.11893	2.2
264.08847	3.0
265.09726	3.6
266.10602	0.8
267.08090	0.7
267.11307	2.4
269.09320	2.9
269.12827	0.8
271.10733	3.1
273.12399	5.3
277.09756	2.3
279.11301	4.1
281.09082	1.0
281.13132	0.8
282.10114	0.9
283.10837	4.5
285.12357	25.2
287.05621	0.8
287.10156	5.7
291.11313	1.1
293.09348	1.0
295.10861	1.0
297.12350	7.9
299.10358	1.6
299.14014	3.5
300.15152	1.0
301.11755	3.2
302.13028	2.3
303.13394	22.1
304.14545	0.9
307.10831	2.0
309.12469	1.3
311.10342	1.1
313.12024	1.4
314.13165	0.8
314.16776	0.7
315.14102	0.7
316.11014	0.9
316.14478	1.7
318.16183	1.6
323.10287	5.6
325.08002	1.5
325.11862	30.6
326.12662	2.0
327.13489	2.6
328.10913	0.9
328.14423	1.0
329.11499	1.1
330.12592	2.3
331.13638	0.9
332.14352	0.8
334.15649	0.8
337.12051	1.3
339.13785	1.0
342.12479	1.2
343.12863	4.8
344.13947	2.7
345.14999	1.0
346.15521	1.8
354.12387	1.4
354.16315	0.9
355.13052	1.9
356.14169	2.1
357.14511	11.4
358.11697	1.6
358.15594	4.5
359.12643	0.8
367.13174	1.8
368.14026	1.6
370.11627	1.3
370.15750	1.5
371.12967	2.5
372.13538	4.4
372.17477	1.1
373.14279	2.0
374.15109	1.8
376.16565	2.1
381.10907	1.2
382.15558	1.6
383.12656	1.2
384.13373	0.9
385.14566	2.6
386.15045	10.1
387.15778	3.5
388.16745	1.1
390.18225	0.9
392.15982	1.1
396.13403	1.6
400.16837	1.6
401.13809	2.0
402.14328	1.8
402.18417	1.7
404.16171	4.8
406.17578	2.3
410.15222	1.5
412.16733	1.0
413.14688	0.8
414.14545	9.6
415.15326	18.7
416.15845	3.1
418.17712	2.5
420.15601	4.9
428.16055	3.5
430.17712	2.8
432.15604	13.0
433.16351	0.8
438.15247	2.5
444.15234	3.5
446.16968	3.0
456.15582	7.4
462.16553	13.7
464.18246	1.3
474.16614	33.1
475.17224	0.9
476.18301	2.2
488.18280	1.9
494.19165	1.8
506.19455	7.1
520.20569	5.3
522.22400	2.3
530.21283	1.8
567.22546	1.0
581.24164	2.4
583.25714	2.9
585.23608	6.4
591.22455	1.2
599.24939	3.7
609.23553	10.7
609.33136	1.3
627.24542	100.0
628.25122	3.8
641.26276	2.3
645.25256	1.2
659.27191	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	677.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.6
57.03431	0.6
61.02905	0.6
65.02608	0.6
65.03928	0.7
67.05495	0.8
69.03434	1.0
70.06596	6.9
71.05006	0.6
71.52483	0.7
72.08159	1.2
74.06095	0.5
79.05495	2.3
80.05015	1.5
81.07059	1.0
82.06585	1.1
84.04511	1.1
84.08150	5.4
85.02900	1.1
85.08455	0.6
86.06086	0.7
86.09716	3.8
89.03921	0.6
91.05512	1.7
93.05811	1.1
93.07055	2.9
94.06582	6.5
95.04960	1.1
95.07341	3.1
96.08141	8.5
97.02885	1.2
97.06508	0.6
98.09683	4.0
99.57883	0.5
99.59869	0.5
103.05484	0.8
106.06567	1.4
107.07380	0.6
108.04502	2.7
108.08130	9.0
109.08874	0.8
110.07159	0.8
110.09688	11.6
116.04971	3.4
118.06554	1.3
120.04492	3.1
120.08104	10.8
122.06022	5.7
123.73825	0.5
124.07592	8.1
127.03935	1.0
129.10262	2.8
134.06029	3.2
136.07571	9.5
138.05524	1.1
138.09137	14.8
140.10788	0.6
140.14394	1.2
144.04443	5.4
146.06046	5.1
147.04500	0.6
148.07590	4.8
152.07088	2.1
158.05952	0.6
159.09145	0.6
160.03966	3.1
160.07608	0.8
162.05504	4.3
164.07156	2.3
166.04994	0.7
166.08635	15.8
166.09935	1.1
172.03940	18.7
174.05565	2.1
176.07082	4.1
184.49457	0.5
185.10738	1.0
190.04991	21.2
197.07138	1.0
197.10812	1.5
198.07780	0.8
198.09383	1.1
198.11487	0.5
199.08682	1.5
201.10358	1.2
204.06564	32.7
204.21791	0.6
210.11565	0.7
211.08720	1.9
212.09489	1.2
213.10219	4.1
214.11139	0.9
215.11853	2.8
223.08749	0.8
224.09486	0.9
225.10234	2.3
226.08592	1.4
226.10957	1.1
227.11813	2.7
235.08687	1.0
236.07237	0.6
236.09543	1.8
237.10152	2.9
238.11061	2.0
239.08176	1.2
239.11836	1.6
241.09697	3.6
243.11322	12.6
245.12831	1.2
249.10341	1.9
250.11046	1.0
251.08229	1.0
251.11829	2.7
252.09033	1.4
253.09772	2.1
253.13495	0.5
255.11310	2.8
256.12189	0.8
257.09177	0.6
257.12933	1.5
259.10806	1.1
263.08179	1.7
263.11865	1.4
264.08926	3.4
265.09781	2.3
266.10458	0.6
267.11435	2.1
269.09308	3.5
269.12955	0.7
270.09937	0.9
271.10889	2.4
273.12369	6.6
277.09793	2.5
278.10727	0.9
279.11331	3.8
280.11945	0.6
281.09555	1.0
281.12772	1.0
283.10754	5.1
284.11490	1.0
285.12335	23.6
287.10251	6.7
290.13116	0.6
293.09140	1.0
294.10052	0.9
295.10846	1.7
297.12375	7.3
299.10391	1.9
299.13998	3.2
300.11264	1.2
300.15039	0.9
301.11972	2.3
302.12903	1.7
303.13403	24.2
304.14319	0.8
307.10938	2.1
309.12170	1.4
311.10391	1.2
313.12079	2.0
314.16574	0.8
315.13913	0.7
316.11032	1.1
316.14505	0.9
317.15479	0.8
318.16092	1.2
321.14600	0.6
323.10196	5.2
325.11838	32.2
326.12817	1.4
327.13541	2.8
328.10892	0.8
328.14630	1.2
329.11493	1.0
330.12442	2.5
330.15927	0.7
332.13803	0.7
337.12009	1.4
340.14694	0.9
341.11792	0.7
342.12506	1.1
342.16281	0.9
343.12949	4.2
344.14142	2.6
345.15009	0.9
346.15524	2.4
347.16409	1.3
353.11697	0.7
354.12411	1.3
356.14178	1.9
357.14536	10.8
358.11801	1.0
358.15530	4.1
359.13040	0.6
360.13342	1.0
367.13422	1.1
368.14011	1.3
370.11929	1.4
370.15799	1.0
371.12537	3.1
372.13422	3.4
373.14261	1.9
374.15091	1.7
381.10818	1.1
382.15735	1.4
383.12479	1.2
384.13535	1.5
384.17523	1.1
385.14529	2.2
386.14990	7.7
387.16003	4.4
388.16760	0.9
392.16132	1.9
394.17688	1.1
396.13455	0.9
400.16711	1.7
401.13544	1.2
402.13782	2.6
402.18533	1.7
403.15457	1.0
404.16144	4.4
406.17642	2.7
410.15219	2.2
412.16699	1.0
413.14212	1.1
414.14462	10.5
415.15286	17.6
416.16101	2.1
417.16989	0.8
418.17462	2.8
420.15524	4.6
427.15350	0.7
428.16077	2.6
430.17896	3.7
432.15503	14.3
433.16382	0.6
438.15210	1.9
444.15536	3.9
446.17142	3.4
456.15674	8.6
462.16577	12.3
464.18451	1.6
474.16595	31.1
475.17203	1.0
476.18256	1.6
488.18317	1.3
494.19421	2.0
506.19275	11.9
520.20782	1.9
581.24066	2.5
583.25543	2.3
585.23395	5.0
591.21844	1.2
599.24835	2.1
609.23291	9.8
610.23004	0.6
627.24506	100.0
628.24805	4.1
641.25806	1.8
645.25043	1.1
659.27106	5.5
665.57306	0.7
677.32977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38903	0.8
53.03939	1.5
55.05514	0.9
56.05050	0.8
56.77864	0.7
57.03443	0.8
60.04518	0.7
63.11286	0.8
64.92673	0.6
65.03962	0.8
67.05504	1.9
69.07070	1.5
70.06601	12.8
70.65715	2.6
71.77831	0.7
72.08167	2.0
73.02927	0.8
73.65675	0.8
79.05521	2.0
79.99254	0.7
80.05027	1.2
81.03416	0.9
82.06596	1.2
82.47221	0.8
84.08157	5.5
85.02892	1.2
86.09711	5.4
91.05486	3.0
93.05790	0.9
93.07065	3.9
94.06575	6.0
95.04974	1.2
95.07372	2.9
95.08655	0.9
96.04508	0.8
96.08143	7.4
97.06567	0.8
98.09719	2.3
103.05483	1.8
105.07045	1.1
106.06566	2.5
108.04502	2.7
108.08122	11.5
110.07216	1.4
110.09703	13.4
116.05004	2.3
118.06566	1.0
119.04956	1.8
119.08589	1.2
120.04466	3.6
120.08118	12.1
121.06505	0.8
121.10261	0.8
122.06030	4.8
122.09686	1.2
123.06816	1.3
124.07616	8.2
126.12833	1.1
127.03962	0.9
127.08673	0.9
129.10258	1.4
130.06537	1.0
130.99342	0.7
134.06036	3.4
136.07590	9.5
138.05489	0.9
138.09152	12.2
138.10129	1.4
140.14355	1.2
144.04488	4.4
146.06030	6.0
147.04417	3.6
148.07610	3.4
150.09166	0.9
152.07076	2.1
160.03972	3.3
162.05553	3.8
164.07088	1.4
166.08653	13.2
172.03952	18.1
174.05530	1.9
176.07062	4.9
178.04996	0.8
190.05005	19.3
192.06610	1.0
197.10703	0.9
198.09267	1.0
199.08743	2.0
203.10315	1.4
204.06581	32.4
204.08496	1.7
211.08762	1.5
212.09563	0.9
213.10234	4.0
214.10983	1.1
215.11794	1.7
224.09410	0.8
225.10315	2.3
226.10995	1.0
227.11804	2.0
236.09390	1.0
237.10287	2.0
238.11046	1.7
239.08182	1.1
239.11906	1.8
241.09785	3.1
243.11331	11.8
249.10332	2.5
251.08269	1.3
251.11850	3.0
253.09789	2.5
255.11349	2.3
257.12903	1.4
263.08264	1.8
263.11832	0.8
264.08997	3.0
265.09808	3.0
267.11438	1.8
269.09320	3.4
271.10806	2.6
273.12347	4.8
274.13141	1.2
277.09778	2.8
279.11237	3.7
281.13000	1.1
283.10782	4.7
284.11542	1.6
285.12378	22.9
287.05536	2.1
287.10248	6.5
288.06082	2.2
289.06195	0.9
295.10971	1.5
297.12418	7.3
297.28073	0.9
299.10809	1.3
299.14044	3.8
301.11920	3.6
303.13379	22.6
307.10776	2.0
309.12396	0.9
311.10486	1.1
313.12033	1.6
316.11029	1.2
316.14590	2.4
323.10361	5.7
325.11871	27.4
327.13574	3.0
328.11087	1.0
328.14703	1.0
329.11707	1.7
330.12347	3.0
331.13065	0.8
332.14093	1.0
337.11896	1.5
339.13980	1.1
340.14832	1.2
342.12640	1.0
343.13214	3.2
344.14178	2.6
345.14731	1.2
346.15485	1.7
347.16510	1.5
354.12073	1.0
355.13089	0.9
356.14047	1.5
357.14615	11.3
358.11856	1.1
358.15744	4.3
360.17410	1.0
367.13071	1.0
368.14117	2.2
370.11954	2.0
370.15927	1.1
371.12711	2.9
372.13269	3.8
373.14240	1.3
374.15036	2.7
376.16635	1.4
384.17422	1.2
385.14462	3.4
386.15103	7.4
387.15744	3.4
392.16220	1.0
394.17532	1.2
396.13474	1.7
400.16806	1.7
401.13867	1.8
402.14224	1.9
402.18820	1.4
403.15204	1.0
404.16068	5.9
406.17761	2.0
410.15082	1.4
414.14478	9.5
415.15317	17.6
416.15823	2.8
418.17737	1.5
420.15582	3.9
428.16122	2.4
430.17676	3.3
432.15524	12.2
438.15280	2.3
444.15741	2.3
446.17029	3.9
456.15619	6.4
457.15378	1.0
462.16571	10.2
464.18326	1.4
474.16599	26.9
476.18457	2.1
494.19232	2.7
506.19299	7.3
520.21014	1.2
581.23920	1.8
583.25342	2.7
585.23364	4.7
599.24677	2.5
609.23376	9.0
623.25330	0.9
627.24554	100.0
628.24945	2.2
641.26123	3.2
659.27246	6.3
677.33020	1.4
678.33521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.7
65.03920	0.2
67.05492	0.4
69.86907	0.4
69.87258	0.8
70.06570	0.7
79.05474	0.3
80.05014	0.2
82.53105	0.2
84.08120	0.6
85.43523	0.3
89.03896	0.4
94.06551	0.6
94.28409	0.2
95.04955	0.2
96.04504	0.2
97.06519	1.0
104.91281	0.2
106.06510	0.3
107.07317	0.7
108.04443	0.6
108.07442	0.3
108.08118	5.2
110.06042	1.3
110.09618	0.2
116.04988	1.3
120.08057	0.7
122.05305	0.2
122.06042	3.0
122.09645	0.9
124.07555	0.4
132.08054	0.2
134.05974	0.6
135.06802	0.3
136.07578	1.4
138.05460	0.3
138.09154	0.4
143.07245	0.3
144.04459	2.9
144.08012	0.3
145.10051	0.2
146.05986	0.9
148.07542	0.6
149.07117	0.6
149.08340	1.0
150.05522	1.7
150.09145	4.7
152.07086	1.8
158.09644	0.9
160.03940	0.7
160.07655	1.2
160.09950	0.4
162.05476	1.0
164.07071	0.4
166.08621	0.3
170.09634	0.6
172.03938	12.5
172.07536	0.7
173.10817	0.3
174.05409	0.5
174.09117	0.5
174.11531	0.2
175.08640	0.8
175.12250	0.9
176.07021	0.3
177.06525	0.5
182.09647	0.3
183.06868	0.2
184.07535	0.4
185.08353	0.4
186.09146	4.6
187.08676	1.5
188.07065	0.4
188.09381	1.1
189.10220	0.5
190.04999	2.2
196.07582	1.0
198.09164	0.7
199.08627	0.3
199.12384	0.2
200.07095	0.4
200.10733	1.6
201.10211	0.9
202.08659	0.7
202.10988	3.2
203.08049	0.4
203.09978	0.4
203.11801	6.3
204.06560	14.9
210.09119	0.4
212.07227	0.4
212.09186	0.4
213.10237	1.9
214.08652	10.0
215.08145	5.0
215.11600	0.2
216.08896	0.4
217.09683	1.2
218.08162	0.2
218.10455	0.5
218.62872	0.2
226.10901	0.3
227.08128	0.8
227.11694	1.2
228.10184	4.7
229.09703	2.3
230.10449	1.7
231.11298	5.8
237.10400	0.3
238.08698	0.3
240.08778	0.3
241.09744	2.7
242.05925	0.3
242.08147	2.7
243.11307	0.3
245.09187	1.2
245.12863	0.8
247.10765	1.6
249.10194	0.3
255.08691	0.4
255.11301	5.4
256.09686	3.8
257.09406	1.0
257.12766	1.8
258.09845	0.5
259.10782	85.1
260.11115	0.8
271.10724	0.6
273.12357	6.9
275.10303	0.2
281.12848	0.8
283.07886	0.3
283.10797	4.0
284.09009	0.4
287.10254	0.5
300.10941	0.3
301.11835	65.0
302.12283	1.0
305.11417	0.3
309.12360	3.3
318.12012	0.3
319.12885	100.0
320.13208	1.5
323.10150	0.4
327.13489	0.4
335.12424	1.0
337.13934	24.1
341.14902	1.7
372.13821	0.2
413.92435	0.2
428.15958	0.4
434.17560	0.2
486.16660	1.0
488.18369	0.5
490.16046	0.3
504.17551	0.5
508.17575	0.3
510.18723	0.5
522.18787	0.3
606.05981	0.2
613.26257	0.2
627.24176	0.3
631.27539	0.6
641.25745	1.0
655.77435	0.3
659.27087	6.9
677.28345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.01879	2.2
55.05507	4.1
56.05031	4.9
57.03420	2.0
60.04520	2.8
61.02940	3.2
65.03929	2.3
67.05516	6.8
69.03432	3.8
69.07057	5.8
69.86708	3.5
69.87102	3.3
70.06597	34.6
71.04984	2.0
71.06924	1.5
72.08154	12.7
73.02924	3.2
74.06087	5.4
77.20045	1.5
79.05501	7.9
80.05040	3.5
81.03438	4.3
81.07056	4.3
82.06581	5.6
83.04980	1.6
84.04499	6.9
84.08150	31.8
85.02917	6.3
86.06087	2.5
86.09711	33.8
91.03951	2.3
91.05491	13.1
92.36648	1.4
93.07050	18.1
94.06568	16.8
95.04958	4.0
95.07363	13.9
95.08622	4.0
96.04479	1.7
96.08136	29.2
97.02888	3.9
97.06543	5.7
98.06083	2.4
98.09695	7.2
99.04476	1.8
102.05553	2.1
103.05486	2.7
105.04539	1.6
105.07039	4.7
106.06583	3.7
107.07350	3.4
107.08588	2.6
108.04488	8.1
108.08120	24.7
109.02850	1.6
109.06541	1.9
109.08928	1.8
109.10167	3.8
110.06039	3.2
110.07214	4.4
110.09688	57.4
112.08745	1.7
118.06558	2.7
119.08609	2.4
120.04460	11.2
120.08118	44.2
121.02906	3.0
121.06488	2.5
121.10176	2.9
122.06055	9.2
122.09682	5.9
122.10511	1.3
123.04456	1.8
123.06857	1.8
124.07588	3.2
127.03954	3.0
127.08664	1.5
129.10237	22.7
130.05049	2.0
131.08606	1.9
132.04466	1.8
132.08076	1.5
133.06490	1.7
133.10138	1.8
134.06017	3.1
135.11691	1.6
136.07603	18.2
138.05513	1.5
138.09145	64.4
140.07071	1.6
140.14392	1.7
144.04503	4.8
145.10161	2.6
146.06058	4.5
147.04382	2.8
148.03987	1.9
148.07561	10.3
150.05528	2.6
150.09160	16.6
152.07104	4.9
154.74272	1.4
155.08304	2.7
158.08185	1.5
160.03976	2.2
160.07564	3.6
162.05544	3.3
163.11256	2.2
164.07104	5.5
166.04999	2.2
166.08646	59.7
168.53195	1.4
172.03964	12.7
172.07639	1.5
174.09183	1.7
178.05049	9.4
182.08145	3.7
182.09648	2.1
186.09239	3.2
188.03419	10.1
188.07149	1.7
190.05043	5.4
190.08694	1.8
194.08221	1.9
196.06058	3.7
197.07112	2.0
197.10852	1.8
199.08713	4.1
199.10602	1.7
200.14063	2.5
203.10123	2.0
203.11844	4.8
204.06569	23.1
211.08771	3.9
211.12265	1.8
212.09192	2.6
213.10255	5.1
214.08766	7.1
215.08250	4.2
215.11967	1.6
217.09862	2.9
217.50766	1.3
223.08766	2.6
223.12320	1.9
224.09435	2.6
225.06721	2.3
225.10155	7.1
227.08228	1.9
227.11934	4.9
228.10347	2.6
230.07999	1.7
230.10442	2.6
231.11342	4.3
235.08675	3.3
236.09491	5.3
237.10220	13.8
238.10852	3.3
239.08189	2.1
239.11737	6.7
240.09097	1.6
240.12650	1.5
241.09837	6.3
243.11478	5.1
245.12941	2.0
247.08459	1.7
247.10896	1.7
249.10295	16.3
250.11116	7.6
251.08252	2.7
251.09106	2.6
251.11787	19.3
252.08679	1.5
252.12685	4.2
253.09782	7.1
253.13531	3.3
255.11208	6.6
256.09912	2.7
257.12946	1.8
259.10809	42.8
261.10239	1.6
262.11151	1.7
263.11978	6.9
264.08911	2.0
264.12653	1.9
265.09805	5.3
265.13446	2.7
266.10437	2.5
267.11353	4.6
269.12833	27.7
271.10629	1.5
273.12390	6.3
273.15964	2.1
277.09836	4.4
278.10303	1.8
279.11334	5.7
281.09448	2.0
281.12778	3.2
283.10934	8.3
283.14169	1.9
285.12338	10.4
287.05557	3.7
287.10358	2.9
287.14053	3.0
288.06018	1.6
288.12299	2.2
289.06131	1.7
293.08960	1.7
293.12955	1.9
295.10861	4.1
297.12411	5.9
299.14047	3.3
300.15097	2.8
301.11832	30.9
302.12518	3.4
303.13568	13.8
303.16678	2.3
307.10861	2.2
309.12396	4.8
310.13306	2.0
311.14005	3.5
312.15048	1.7
314.12991	3.5
314.16635	4.9
315.13593	8.7
316.10858	1.7
316.14487	3.1
317.11908	1.9
318.12463	2.3
319.12906	49.7
323.10397	2.7
325.11792	11.8
326.16611	1.9
327.09866	2.7
327.13620	5.0
328.10971	1.9
328.14505	4.3
330.12399	4.8
330.16071	5.2
331.17026	2.8
332.14041	3.2
333.14627	4.4
337.14050	10.3
340.14563	2.8
341.15115	2.9
342.12601	2.1
342.16412	2.1
343.13199	5.8
344.13763	10.1
345.14929	3.1
346.15649	3.3
354.16281	1.9
355.09213	1.7
356.13989	6.2
356.17920	1.8
357.14627	6.7
358.15604	8.5
359.16721	3.1
360.13318	2.4
360.17297	2.3
362.14926	1.8
368.14047	2.9
369.15024	2.1
370.15829	2.2
371.12424	2.2
371.16504	3.2
372.17163	5.3
373.14410	4.0
374.14981	3.9
375.15607	1.8
382.15463	4.0
384.17175	5.2
385.14404	1.9
386.15042	9.5
387.16095	8.5
388.17139	6.8
398.15067	5.0
400.16586	13.2
401.13699	1.8
402.18423	7.5
404.15872	2.3
406.17752	5.2
412.16724	2.3
416.16135	26.3
417.16660	2.6
418.17609	9.4
428.15924	12.6
430.17984	3.9
434.17188	30.0
435.17688	2.5
436.18671	2.3
444.15662	4.9
446.17136	63.5
447.17841	2.6
448.18713	4.1
452.18005	7.0
456.15915	4.2
460.19061	2.0
462.16614	9.0
464.18011	8.5
474.16678	9.8
480.17679	5.0
488.18436	3.9
490.16104	2.1
492.17477	2.0
494.19244	6.8
506.19357	11.7
512.20300	23.7
520.20844	4.3
524.20355	5.0
553.24585	3.7
563.22638	1.9
567.22412	2.3
571.25635	3.1
581.23834	16.1
583.25366	4.5
585.23749	2.8
599.25037	48.7
601.26270	2.7
609.23901	9.2
617.26520	13.1
627.24554	27.8
641.26196	7.6
645.25555	71.6
646.25244	1.9
659.26758	15.4
677.28143	100.0
677.38568	7.9
678.27985	2.2
693.73560	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01851	0.8
55.05498	0.5
57.03413	0.9
61.02916	0.5
66.34782	0.5
67.05474	1.4
68.05016	0.7
69.03433	0.9
69.07036	1.4
70.06602	4.1
70.76922	1.0
71.04952	0.6
72.08127	1.0
79.05502	2.2
81.03438	2.5
81.07059	2.8
83.08601	0.6
84.04475	1.0
84.08144	2.5
85.02885	1.4
85.06435	0.5
86.09668	1.9
91.05473	2.3
93.07047	3.1
94.06541	1.5
95.04960	0.9
95.07325	1.4
95.08559	1.5
96.08145	3.6
97.02853	1.1
97.06490	1.4
98.09623	0.6
99.04415	0.9
100.47173	0.6
105.07039	3.0
107.04901	0.5
107.08607	3.8
108.08110	3.2
109.02831	1.8
109.06499	1.1
109.10114	0.6
110.09707	5.4
119.08569	0.5
120.04430	1.8
120.08122	5.2
121.02895	4.3
121.03675	0.8
121.06443	1.4
121.10165	3.1
122.06002	1.5
122.09659	1.1
123.08080	0.6
124.07564	1.2
125.09513	0.6
127.03916	2.5
129.10231	0.7
131.08633	0.7
133.10077	0.6
134.05963	0.7
136.07607	4.1
138.09158	9.1
145.10155	2.5
146.05943	1.1
147.04407	1.2
148.07556	1.9
149.09613	1.2
150.09129	2.8
151.07494	0.5
152.07027	1.2
153.01805	1.9
162.05516	0.9
163.11197	6.2
165.01826	1.2
166.08647	9.2
167.10648	1.6
169.08633	1.1
171.02846	0.5
172.03915	1.8
173.09474	0.6
174.05443	0.5
180.10202	0.9
181.12207	1.8
182.11597	0.5
183.02863	0.7
190.04936	1.5
191.10701	5.1
194.08083	0.9
196.09779	0.6
197.10678	0.9
204.06575	2.0
209.11832	2.2
212.09415	0.5
213.05424	1.1
213.10336	0.7
223.08563	0.7
223.12245	0.6
225.10269	2.5
226.52277	0.6
227.12923	3.2
231.06769	0.6
235.08681	0.9
236.09465	0.7
237.10219	4.0
238.10966	1.2
239.08322	0.8
239.11771	2.5
241.04875	0.8
241.09801	1.2
248.09334	1.1
249.10274	3.9
250.11073	1.1
251.08183	2.2
251.11852	4.0
252.12604	0.9
253.09807	3.9
254.10675	0.6
255.11386	0.6
258.05133	0.8
261.10251	2.4
263.11743	2.7
264.08908	0.6
265.09735	6.5
265.12576	0.6
266.10550	1.5
267.11307	4.2
268.11981	0.9
269.12936	1.5
271.10745	2.1
271.13507	0.7
273.12473	0.6
277.09821	2.7
278.10544	2.8
279.07706	2.5
279.11304	6.9
280.12054	2.3
281.09210	2.1
281.12823	1.4
282.10159	0.6
283.10831	4.9
284.11581	0.7
285.12277	1.5
287.05524	89.0
287.13773	2.3
288.05893	1.8
289.09726	5.1
291.11325	2.4
293.09238	1.5
293.12842	3.1
294.09973	4.5
294.13284	0.7
295.10858	3.3
295.13947	0.7
296.11560	1.9
297.12344	1.9
299.10349	2.2
299.13748	0.8
306.09949	1.2
307.10794	1.8
308.11481	0.8
309.12204	2.8
310.13293	0.7
311.10254	5.8
311.14032	2.0
312.10999	2.5
313.11703	2.4
314.12689	1.5
315.13431	1.6
317.08908	0.7
321.12381	0.9
323.10284	2.0
323.13980	1.5
324.11011	1.9
325.11819	2.2
326.12543	4.2
327.13437	6.6
328.14594	0.7
329.06638	0.7
335.10242	9.1
337.11847	1.2
339.13425	48.2
340.10535	1.5
340.14093	1.0
341.15027	0.6
352.10483	1.5
353.11581	1.2
353.15775	0.9
354.12051	6.2
355.12888	13.5
357.14777	1.0
365.11588	0.7
367.12927	33.1
368.13550	0.7
370.15540	0.7
371.12668	0.7
371.17108	1.3
387.15436	0.9
398.15070	0.6
399.15924	2.3
404.15808	0.7
416.15918	1.1
420.19937	0.7
432.19162	0.6
447.17868	1.3
458.17200	1.4
460.18851	1.2
479.20657	2.6
480.21185	0.6
488.18307	7.7
490.20004	0.6
492.21338	5.0
520.20880	100.0
521.21039	3.2
538.21814	1.7
552.23468	54.0
553.24097	1.4
611.25012	6.0
639.24738	0.8
643.25940	0.9
675.39001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	1.7
55.01828	0.9
55.05474	0.8
56.04991	1.0
57.03396	1.0
60.04477	0.8
61.02896	0.7
61.28550	0.5
65.03896	1.1
67.05445	2.9
68.04973	1.2
69.03389	0.9
69.07016	1.7
70.06593	6.2
70.30866	2.0
71.04948	0.8
72.08101	1.9
74.06012	0.5
75.31241	0.6
79.05494	3.9
80.04948	1.7
81.03356	2.0
81.05750	1.3
81.06982	2.1
82.06517	2.4
83.04921	0.6
84.04432	1.7
84.08149	4.3
85.02841	2.0
86.09709	5.1
91.03945	1.0
91.05486	4.3
93.05723	1.2
93.07050	7.4
94.06570	11.0
95.04949	1.3
95.07359	7.0
95.08582	1.6
96.04445	0.7
96.08140	15.7
96.08717	0.8
97.02834	1.5
97.06470	1.7
98.09713	2.8
99.31741	0.7
102.05473	0.8
103.05408	2.4
105.06956	1.1
107.04934	1.1
107.07301	0.8
107.08569	1.1
108.04423	1.4
108.08121	14.0
109.02780	0.9
109.10142	1.0
110.05992	1.1
110.07121	0.6
110.09689	24.4
114.07784	0.6
118.06499	1.0
119.04926	0.9
119.08540	0.9
120.04401	1.6
120.08114	23.9
121.06437	1.6
121.10128	1.0
122.06042	13.5
122.09568	1.0
124.07499	2.7
127.03839	0.8
129.10153	1.6
132.08014	0.6
133.04768	0.7
134.05954	0.8
135.06763	0.7
136.07594	12.2
138.09143	28.5
146.05933	1.5
147.04361	1.5
148.07558	6.0
150.09090	1.2
152.06990	1.7
160.07523	1.0
164.06995	1.0
165.09068	2.2
166.08649	32.5
172.03857	1.5
178.29094	0.6
188.06979	0.8
190.04900	0.8
204.06462	1.1
211.08601	2.6
213.10211	0.7
219.09128	1.0
220.09845	1.4
221.10707	3.1
224.09427	0.9
225.10223	1.4
227.11810	0.8
229.19272	0.6
235.08682	4.0
236.09375	1.9
237.10164	2.4
238.10918	0.8
239.11794	0.8
241.09589	0.9
247.08705	4.5
248.09492	3.4
249.10252	27.0
250.10959	4.1
251.08034	1.0
251.11867	4.3
253.09587	1.6
257.09286	0.7
261.10327	3.8
262.10959	2.0
263.08093	1.5
263.11826	4.9
264.08734	0.8
265.09665	3.6
266.10379	0.7
267.11343	1.1
271.10718	0.8
273.10214	1.0
275.08038	1.9
276.08920	1.3
277.09729	16.3
278.10519	6.0
279.11267	5.1
281.09399	1.2
281.12775	0.8
282.09650	0.7
283.10873	0.9
287.05475	2.7
289.09583	3.8
291.11243	5.2
292.12003	1.2
293.09125	2.0
293.12265	0.8
295.10849	1.1
297.12326	1.3
298.13406	0.7
299.10452	0.9
300.11569	1.7
300.14828	0.8
301.12561	0.9
302.12924	1.2
305.09006	1.0
307.10709	2.1
309.08914	0.7
309.12384	9.9
310.13107	2.8
311.14218	1.3
312.11652	0.9
312.15182	1.1
313.12238	2.3
314.12964	3.3
315.10333	0.9
315.13913	1.1
316.10965	1.2
316.14444	1.4
321.08646	1.5
323.10318	2.0
323.13956	1.4
324.11417	0.9
324.15005	2.6
325.12302	1.6
325.15775	1.6
326.12915	2.4
326.16666	1.4
327.10098	1.0
327.13947	3.0
328.10797	4.0
328.14447	5.0
329.11523	1.2
329.15125	1.3
330.12286	3.2
330.16010	1.5
335.10208	2.0
337.12070	2.3
338.12930	5.0
339.14124	2.9
340.10999	2.8
340.14389	3.7
341.11469	3.8
342.12357	7.7
342.16058	1.5
343.13351	3.0
343.16962	1.1
344.13931	3.2
344.17538	0.9
345.14877	0.9
351.13690	1.3
352.10950	0.8
352.14554	5.7
353.11481	1.2
353.15686	3.3
354.12302	4.3
354.16077	2.9
355.13147	5.6
356.10486	1.1
356.13971	14.2
357.14804	4.5
358.11755	2.2
358.15665	2.9
359.16418	0.8
360.13522	1.1
365.11517	0.8
366.12286	1.8
367.13089	2.0
368.10199	1.8
368.13858	2.2
369.11169	1.8
369.14713	2.1
370.11227	3.7
370.15811	7.0
371.12170	1.3
371.16794	3.6
372.13229	2.2
372.17102	5.2
373.14075	1.4
374.10983	1.2
374.15088	1.3
380.14005	3.9
381.14743	1.8
382.11163	2.7
382.15781	5.7
383.12640	4.4
384.13397	10.8
384.17587	1.1
385.13849	3.1
385.18073	2.4
386.10718	0.9
386.15021	4.1
386.19144	1.0
387.15903	1.0
388.12595	0.8
388.16907	1.4
390.14340	0.7
395.12677	0.8
396.13455	2.3
397.14285	4.1
398.10602	1.0
398.15067	12.0
399.16031	6.8
400.16782	12.8
401.13477	2.0
402.14380	2.4
404.16019	1.0
408.13562	2.3
410.15237	3.3
411.12213	1.2
412.12735	4.3
413.13184	1.0
414.13641	1.3
414.19028	3.4
415.15259	1.0
416.16101	5.0
417.16687	1.6
424.12708	1.0
425.13641	2.2
426.14548	14.9
427.15121	1.0
428.16077	10.0
430.13901	1.8
431.14740	1.3
432.15048	1.1
436.12735	1.2
442.13269	2.7
442.17688	6.2
443.14890	1.6
444.15567	9.0
445.16476	0.9
446.17068	1.4
454.14026	36.5
458.17032	1.4
460.19373	10.1
464.18173	1.3
468.15454	1.0
472.15060	81.7
473.15402	1.9
474.16599	11.3
475.17065	1.1
476.18307	1.5
486.16733	3.4
490.15836	1.0
492.17661	48.0
493.18509	1.0
504.17673	27.8
505.18188	1.3
506.19305	1.8
510.18985	0.8
520.20874	1.0
522.18622	4.6
533.21423	0.8
551.22900	0.7
561.68866	0.7
563.22809	0.7
579.22498	1.9
595.25183	0.9
597.23566	1.1
607.21942	13.4
608.22406	0.7
611.24817	6.1
621.23224	1.1
625.22980	33.7
626.23541	0.9
629.26086	3.0
639.24463	26.1
640.24805	1.2
643.23901	2.6
657.25568	100.0
658.25769	3.2
661.00568	0.8
675.25269	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	675.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05465	0.4
69.07050	0.3
70.06541	0.6
74.26640	0.3
79.05465	0.5
81.07014	0.3
91.05453	0.6
93.06995	0.5
105.07004	0.4
109.10094	0.4
119.08530	0.4
127.03875	0.2
128.80560	0.2
169.76707	0.2
172.85210	0.2
187.01700	0.2
204.77647	0.2
254.83852	0.3
357.27151	0.3
412.15338	0.2
439.14032	0.3
453.15787	0.4
454.16953	0.5
455.13232	0.6
456.13541	0.3
467.12515	0.5
467.18253	0.6
468.13660	1.7
469.14761	7.3
470.15771	1.5
471.16675	0.4
479.17523	0.3
480.14087	0.3
481.14713	2.5
482.15863	10.7
483.16650	9.8
484.17303	1.6
495.16711	1.2
496.17459	5.9
497.18237	41.9
498.18951	4.2
499.20129	0.5
510.19254	1.8
511.19803	5.4
512.20856	1.2
515.19012	1.1
524.18262	0.3
524.37164	0.3
527.15594	0.6
528.16431	1.9
538.20471	0.9
541.17255	1.1
542.18127	2.4
543.18542	0.3
555.18597	1.6
556.19464	3.4
557.20367	4.1
569.20459	0.9
571.21643	0.5
585.23517	0.3
587.21295	0.3
613.23285	0.3
616.21576	1.5
617.22205	0.4
625.22968	0.4
629.22186	0.5
630.23364	0.4
643.23975	7.2
644.24805	8.5
645.24365	0.5
657.14624	0.4
657.25610	7.5
658.25171	0.4
675.26630	100.0
676.26886	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.3
57.03437	0.4
60.04529	0.3
67.05507	0.4
68.05028	0.4
69.03429	0.5
69.07042	0.3
70.06593	3.5
70.54462	0.5
70.54794	0.6
71.04972	0.5
72.08147	0.7
72.31084	0.3
83.04957	0.3
84.08144	2.3
85.02892	0.9
85.97857	0.4
86.06059	1.3
86.09702	1.8
91.67585	0.3
94.06532	0.3
96.08130	0.6
97.02927	0.3
98.09701	3.7
99.09989	0.5
110.07175	0.8
120.08104	1.0
121.10138	0.5
122.33320	0.3
129.10258	1.7
136.07571	0.9
140.14345	1.6
147.04399	0.6
158.15404	0.6
172.04007	0.4
181.07088	0.7
195.08716	0.4
197.10153	0.7
199.08220	0.5
201.12526	2.0
204.06590	0.7
215.11314	1.0
217.12067	2.2
235.11819	1.1
237.13373	1.2
253.12863	6.2
255.14418	2.0
263.12604	5.3
271.13962	0.3
277.12772	0.6
281.12384	2.0
287.05557	0.4
295.13834	1.5
299.13391	3.3
305.13647	3.3
317.19458	0.4
319.13867	0.7
335.20612	1.1
337.15115	0.5
349.12592	100.0
350.12610	1.8
367.12299	0.3
373.22339	2.6
375.23901	0.5
401.21588	0.4
411.23969	1.0
413.25360	0.9
441.25000	0.9
457.24295	3.9
458.24149	0.3
459.25800	0.5
485.23907	0.7
495.86874	0.3
499.25388	0.8
503.24918	6.4
504.24969	0.4
505.66290	0.4
543.24371	0.6
545.26123	2.1
566.32312	0.4
589.24902	3.0
625.23004	0.5
643.22998	0.3
662.33478	0.5
675.24390	0.7
675.40735	0.6
695.35571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.3
55.01859	0.4
55.05517	0.3
57.03432	0.1
57.07083	0.1
65.03935	0.3
67.01859	0.1
67.05508	0.5
68.99783	0.7
69.03097	0.1
69.03434	1.0
69.07065	0.7
69.34721	0.4
70.06577	0.2
71.01359	0.1
71.04999	0.5
72.08142	0.0
73.02918	0.1
76.48430	0.1
77.03929	0.1
79.05067	0.1
79.05493	1.3
80.30327	0.1
81.03425	2.2
81.07064	1.8
83.04969	0.2
84.08135	0.2
85.02904	0.4
85.06552	0.3
86.09698	0.2
91.05482	0.9
92.64265	0.1
93.07050	3.2
95.04987	0.4
95.08593	0.4
97.02913	0.5
97.06538	0.8
98.09679	0.3
99.03846	0.1
99.04464	1.2
101.06011	0.1
103.05487	0.1
105.03413	0.3
105.04556	0.1
105.07035	2.6
107.04986	0.3
107.08598	3.6
109.02135	0.1
109.02882	1.7
109.05891	0.1
109.06530	0.7
109.10168	0.1
111.00814	0.6
111.04438	0.2
111.08090	0.4
111.11672	0.1
111.20685	0.1
113.06007	0.2
115.03939	0.1
115.05460	0.1
116.50215	0.1
117.07003	0.4
119.04874	0.1
119.08592	0.8
120.08081	0.1
121.02873	5.7
121.06506	1.7
121.10150	3.6
123.08094	0.3
125.05979	0.1
127.03923	3.1
127.07562	0.3
128.06210	0.1
129.07010	0.1
129.10214	0.1
130.07785	0.2
131.08598	0.3
133.02856	0.8
133.06476	0.1
135.04402	0.2
135.08063	0.8
135.11696	1.2
137.02348	1.1
137.09639	0.1
139.07550	0.1
139.11154	0.2
140.14316	0.1
141.06970	0.1
143.08557	0.1
145.04962	0.1
145.06534	0.3
145.10129	2.6
147.04407	1.0
147.08066	0.1
147.11694	0.4
148.04785	0.1
149.05949	0.2
149.09633	1.2
151.07549	0.2
153.01839	3.4
153.12746	0.1
155.08504	0.1
157.06511	0.3
158.07266	0.1
161.05971	0.2
163.11189	6.4
165.01843	1.4
167.10689	2.0
169.06427	0.1
169.08617	1.5
171.03003	0.1
171.04425	0.3
173.05862	0.1
173.09644	0.7
175.03949	0.1
181.12234	1.8
183.02890	0.6
185.05991	0.4
185.11716	0.6
189.05455	0.2
191.10680	5.5
197.05998	0.2
199.03909	0.1
201.05554	0.2
203.03397	0.1
203.07147	0.1
209.11743	3.4
213.05478	1.3
217.05089	0.1
218.05809	0.1
219.06570	0.1
227.12793	4.8
228.13048	0.1
231.06538	0.8
241.04973	1.2
243.06451	0.1
245.04424	0.3
258.05240	0.9
259.06085	0.4
263.05560	0.1
269.04404	0.2
269.13889	0.2
270.05008	0.1
271.13327	0.1
286.04739	0.1
287.05502	100.0
288.05850	1.5
299.05597	0.1
299.12915	0.1
309.17111	0.1
311.05478	0.2
311.14832	0.2
317.13864	0.1
329.06549	1.0
335.14938	0.2
342.55368	0.1
353.06479	0.1
353.15973	1.0
371.17041	1.2
395.07550	0.2
431.09702	0.1
449.10791	0.2
481.34006	0.1
675.33167	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	675.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25831	0.1
53.03949	0.6
54.13502	0.1
55.01627	0.1
55.01860	0.7
55.05514	0.7
57.03431	0.3
57.07066	0.2
61.02909	0.1
65.03952	0.2
65.67733	0.1
67.05238	0.1
67.05508	1.1
68.99471	0.1
68.99803	0.3
69.03076	0.1
69.03428	1.7
69.07072	1.1
70.06593	0.8
71.01335	0.1
71.04993	1.1
72.08147	0.5
72.47656	0.1
73.02884	0.2
79.05492	2.3
81.03419	4.1
81.06588	0.2
81.07058	3.5
82.62276	0.1
83.04990	0.7
84.08140	0.3
85.02907	0.7
85.06547	0.6
86.09703	0.4
91.05479	1.6
93.07045	6.0
94.06603	0.1
95.04959	0.8
95.08604	0.8
96.08113	0.2
97.02909	0.7
97.06528	1.2
98.09683	0.2
98.21642	0.2
99.03845	0.1
99.04459	2.2
101.06007	0.1
105.03379	0.2
105.04508	0.1
105.07034	4.3
107.04941	0.5
107.08598	6.2
108.08100	0.2
109.02886	2.8
109.06517	1.5
109.10143	0.2
110.09689	0.4
111.00819	0.6
111.04425	0.2
111.08089	0.7
111.11694	0.1
113.06007	0.4
115.05412	0.1
117.07005	0.7
119.08582	1.7
120.08070	0.4
121.02874	2.1
121.05678	0.1
121.06509	2.3
121.10148	5.7
122.06061	0.2
123.04438	0.1
123.08105	0.5
125.06023	0.1
127.03919	3.5
127.07558	0.5
127.08625	0.2
129.07004	0.2
130.07779	0.4
131.08566	0.7
132.08002	0.1
133.02847	0.3
133.06456	0.2
133.10118	0.1
135.04387	0.1
135.08069	1.2
135.11702	1.8
136.07582	0.3
137.02332	0.6
137.09619	0.1
138.09163	0.3
139.07529	0.2
139.11195	0.2
143.08531	0.2
145.06488	0.3
145.10124	4.9
147.04391	0.6
147.07947	0.1
147.11707	0.5
148.07504	0.1
149.05991	0.3
149.09622	1.9
151.07520	0.3
153.01830	3.1
157.06491	0.3
158.07205	0.1
159.09151	0.2
161.05894	0.1
161.09583	0.2
163.11185	10.3
165.01848	1.6
165.09041	0.1
166.08609	0.5
167.10686	2.6
169.08609	2.2
169.09740	0.1
171.04399	0.2
173.09631	1.1
175.07436	0.1
181.12239	2.5
183.02908	0.8
185.05977	0.4
185.11703	0.9
189.05502	0.2
189.09193	0.2
191.10675	7.4
197.05861	0.2
209.11740	3.7
209.13672	0.2
213.05440	1.4
227.12791	5.0
231.06554	0.7
241.04974	0.6
249.10150	0.3
258.05319	1.0
259.05978	0.4
269.04382	0.2
269.13837	0.3
286.04663	0.2
287.05493	100.0
288.05811	1.3
289.14194	0.2
291.11270	0.1
299.05530	0.2
299.12781	0.2
311.05334	0.1
311.14771	0.1
317.13974	0.2
329.06583	0.9
335.14926	0.2
342.12271	0.2
352.14264	0.1
353.06430	0.2
353.11575	0.2
353.15912	1.4
356.13950	0.2
371.17032	1.6
382.15793	0.1
384.13644	0.1
395.07617	0.3
398.15213	0.1
399.15747	0.1
400.16296	0.2
426.14069	0.2
428.16315	0.2
442.18048	0.1
444.15338	0.1
454.14297	0.5
460.18784	0.2
472.14981	1.2
474.17029	0.1
492.17535	0.6
504.17587	0.3
607.22028	0.3
621.81598	0.1
625.23090	0.5
639.24445	0.4
657.25360	1.2
675.26196	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	674.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
53.68788	0.6
55.01875	1.1
55.05514	10.3
57.03439	4.8
57.06792	1.0
57.07079	20.5
59.04996	0.8
61.14063	0.6
62.07523	0.6
65.03933	1.1
67.05508	34.1
69.07075	8.9
71.04997	8.6
71.08636	20.1
74.09723	0.8
75.54495	0.6
77.33272	0.6
79.05498	10.5
81.03413	1.3
81.07059	29.9
83.04999	1.0
83.08617	11.5
85.06541	1.7
85.10191	8.5
89.06039	0.9
91.05485	6.5
93.07049	13.2
95.04967	1.4
95.08612	18.5
97.06541	4.1
97.10177	7.7
98.20635	1.4
99.08096	4.1
105.07030	3.7
107.08617	7.8
109.06554	0.8
109.10162	20.7
111.08087	1.8
117.07031	3.3
119.08604	3.6
121.10111	3.1
123.11706	3.3
125.09608	5.0
131.08582	2.4
133.10130	2.6
135.08058	0.9
135.11708	2.5
137.09630	0.9
137.13194	1.0
145.10065	0.6
149.13246	3.5
151.11247	1.7
155.10654	1.5
155.14343	2.1
156.80838	0.6
159.11717	2.3
161.13254	1.7
173.11795	4.6
179.14357	1.6
189.11206	2.1
195.13861	1.9
227.12794	10.9
229.14360	25.1
239.23686	1.2
274.96927	0.6
277.21561	3.0
295.30847	0.6
313.27383	31.1
314.27930	0.9
351.25299	7.0
355.26526	0.7
411.34793	2.7
467.37381	19.6
468.37924	0.9
483.36676	1.7
491.41031	2.1
507.40472	100.0
508.40665	2.8
589.48401	6.0
613.03418	0.7
621.51056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.2
55.05514	46.1
57.03442	13.8
57.07065	3.4
61.02920	3.0
65.03932	1.4
67.05511	50.6
69.03418	3.1
69.07075	15.8
69.33673	7.3
71.04981	3.2
71.08636	1.1
79.05495	45.3
81.03420	2.6
81.07060	60.9
83.04974	3.4
83.08147	1.7
83.08620	19.4
85.02895	2.9
85.06546	2.1
91.03983	1.4
91.05488	15.7
93.07047	36.8
94.35419	1.1
95.04986	2.2
95.08616	41.0
97.06535	3.3
97.09549	2.2
97.10175	36.0
105.07028	12.3
107.07880	1.8
107.08597	34.7
109.06548	1.0
109.10159	17.2
111.08063	1.2
115.05447	1.4
117.07031	6.5
119.08575	13.4
121.06527	1.5
121.10149	22.0
122.06010	1.3
123.11710	7.4
123.21404	1.1
125.09635	23.8
131.08572	9.3
133.10150	11.2
135.09163	2.7
135.11703	17.6
137.09602	1.2
137.13237	2.8
139.11142	1.6
143.08510	1.6
143.10666	4.0
145.10126	7.4
147.11652	6.8
149.13278	9.7
154.18301	1.2
159.11702	8.2
161.13292	5.6
163.14862	6.1
165.10406	1.1
165.12772	1.6
168.06584	2.6
173.13255	8.3
175.14825	2.9
177.12764	1.4
177.16373	2.4
187.14827	3.8
199.13298	2.1
215.12817	6.4
217.14359	100.0
243.21049	13.6
261.22131	39.0
279.23297	1.5
304.15341	1.6
317.24576	3.0
335.25815	67.8
337.27362	5.9
353.26895	16.0
378.18829	1.4
385.30966	2.4
396.20242	1.5
403.32144	8.8
416.03745	1.2
459.34387	2.0
477.35779	65.3
478.36240	2.0
495.36975	6.9
656.41339	1.3
674.44305	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	674.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72075	1.4
55.01875	3.0
55.05513	44.2
57.03436	12.8
57.07076	35.3
59.04997	2.8
61.02923	3.5
65.03928	2.6
67.05508	53.8
69.03419	4.2
69.07076	19.2
71.04984	1.7
71.08633	24.4
71.52299	1.3
73.02897	1.6
73.06560	10.1
79.05495	48.3
81.03407	2.1
81.07061	61.3
83.04991	4.7
83.08139	2.3
83.08618	21.7
85.02909	2.1
85.10186	20.2
87.04474	11.4
89.06036	100.0
91.05477	16.6
93.07049	35.4
94.06635	1.4
95.04979	3.1
95.08618	40.6
97.02874	2.4
97.06518	2.3
97.10177	36.1
99.11723	4.6
105.07032	18.0
107.08604	36.2
109.06535	2.2
109.10161	20.9
111.08059	1.5
113.05933	1.5
117.07030	4.6
117.09158	7.4
119.08584	11.5
121.10168	19.1
122.06030	2.8
123.08005	2.0
123.11694	9.3
125.09633	23.3
130.08617	2.8
131.07042	3.2
131.08585	8.8
133.08606	56.8
133.10095	11.9
135.08250	1.6
135.09204	7.8
135.10063	1.4
135.11716	13.1
143.08508	2.8
143.10693	4.7
145.10115	8.7
147.07985	1.7
147.11708	6.3
149.13312	10.3
150.05498	3.0
155.17896	4.0
159.11707	7.0
161.11804	2.8
161.13252	4.3
163.14838	5.6
168.06604	3.1
173.13266	7.3
175.09676	2.2
177.11238	23.7
184.07310	3.0
185.07635	2.2
187.14835	3.4
199.13316	3.0
199.20570	3.7
215.12823	5.5
217.14359	77.8
221.13779	4.2
227.12708	1.8
240.23390	1.6
243.21162	9.2
243.23256	10.0
261.22195	29.2
265.16672	2.2
271.10229	1.5
277.77032	1.4
286.36850	1.5
287.25803	5.1
302.14270	1.7
309.18814	1.6
317.24832	2.8
320.15125	2.0
335.25815	85.8
336.26126	1.8
337.27264	6.3
353.22083	1.7
353.26764	5.7
385.31076	2.7
397.30176	1.6
403.32040	17.5
421.28915	1.9
476.32135	1.5
477.35776	76.9
478.36197	2.1
495.36612	5.6
503.30923	1.7
531.72107	1.7
610.91901	1.8
630.94263	1.6
657.47803	7.0
674.51697	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
53.84829	0.8
55.01872	1.3
55.05515	21.9
57.03439	4.7
57.07077	7.8
59.04996	1.1
63.20377	0.7
65.03947	1.2
65.30560	0.7
67.05507	30.9
69.03424	1.0
69.07072	26.5
71.05001	8.8
71.08638	9.3
71.12410	1.5
79.05498	10.8
81.07060	25.2
83.04978	1.9
83.08621	22.2
83.09114	0.9
85.06534	1.5
85.10188	2.9
89.06020	1.3
91.05483	8.5
93.07051	15.2
95.04967	1.7
95.08620	8.7
97.06552	3.6
97.10170	18.5
99.08110	3.0
105.07035	2.4
107.08597	9.1
109.06522	1.2
109.10161	17.2
110.10674	0.6
111.08083	2.2
111.11737	4.4
114.49809	0.9
117.07015	3.3
119.08585	2.6
121.10151	4.0
123.08099	0.9
123.11699	2.0
125.09634	3.5
125.13299	1.0
131.08600	3.0
133.10127	3.7
135.08052	0.8
135.11681	3.6
137.09656	1.0
149.13307	4.0
151.11150	1.1
155.10735	1.8
155.14336	1.7
159.11716	2.3
161.13284	1.2
173.11749	5.0
175.55089	0.7
177.12869	0.9
179.14333	0.8
188.22020	0.8
189.11218	1.6
195.13876	1.6
227.12799	7.6
229.14351	25.3
235.50626	0.7
237.22215	1.1
254.46175	0.7
277.21713	2.0
311.25812	26.1
313.27383	2.1
351.25308	4.7
357.84924	0.6
409.33264	2.7
465.35785	23.7
481.35422	3.2
505.38907	100.0
506.39383	1.9
587.46906	6.2
619.48425	2.3
672.48163	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	672.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01879	0.6
55.05511	6.3
57.03434	9.3
57.07073	0.8
60.89462	0.3
61.02921	3.3
65.03950	1.1
67.05506	32.3
69.03425	1.0
69.07068	8.7
71.04999	1.2
73.02908	0.8
75.78072	0.4
77.03923	0.4
79.05495	14.4
79.61410	0.4
79.81173	0.4
81.03427	1.0
81.07059	21.3
83.04987	0.7
83.08626	3.0
83.57346	0.3
85.02905	2.4
85.06532	1.6
91.03965	1.1
91.05489	6.6
92.21917	0.3
93.07049	16.7
93.07644	0.8
95.04967	1.5
95.08609	100.0
96.08941	0.8
97.02899	1.5
97.06526	3.9
97.10173	1.0
98.20802	1.3
98.21509	0.9
99.04509	0.5
99.08079	0.9
105.07040	6.0
107.05004	0.4
107.08601	8.1
109.06493	0.6
109.10159	6.8
111.08082	0.9
113.09611	0.9
117.07027	1.7
119.08586	3.9
121.10142	7.2
121.10938	0.6
123.08072	3.6
123.11704	2.9
124.57800	0.3
125.09615	0.6
127.03919	0.5
131.08582	3.9
133.10138	3.7
135.11723	4.7
137.13312	0.8
141.08060	0.5
141.09111	7.7
142.07404	0.4
145.10121	3.3
147.11659	2.7
148.11052	0.4
149.13252	3.6
159.10187	9.2
159.11690	1.8
161.13258	1.9
163.11185	0.6
163.14807	1.8
165.12869	0.5
173.13274	2.6
175.09686	0.8
175.14853	1.0
177.16415	0.7
187.14879	1.0
191.14394	0.4
201.16380	0.5
213.11238	4.0
215.12793	70.0
216.13158	0.6
233.22751	0.5
243.21101	4.1
261.22153	13.7
268.37674	0.5
279.23334	0.6
317.24792	2.0
335.25812	50.3
336.26157	1.4
336.57416	0.4
365.28253	0.4
383.29373	1.3
401.30359	0.7
405.26614	0.4
457.33221	1.3
475.34207	25.7
476.34851	0.8
493.35190	3.6
542.71497	0.4
629.28888	0.4
672.27155	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05517	7.1
57.03442	9.2
57.07066	1.2
61.02928	2.8
63.51787	0.5
65.03937	1.7
66.48706	0.5
67.05508	35.2
69.03419	0.8
69.07071	10.0
70.10894	2.3
71.04990	1.3
71.55589	0.5
72.08183	0.5
73.02932	0.8
79.05494	16.5
81.03416	1.6
81.07060	23.0
83.04976	0.7
83.08628	3.8
85.02901	2.5
85.06525	1.3
89.97504	0.5
91.03952	1.1
91.05477	9.2
93.07046	18.6
95.04967	2.0
95.08610	100.0
97.02882	1.5
97.06521	4.0
97.10169	1.5
105.07034	6.9
107.08601	9.6
109.06554	1.1
109.10163	8.8
111.08097	1.0
113.09647	1.0
117.07021	2.6
119.08592	5.5
121.10148	6.8
123.08088	3.1
123.11700	2.7
127.03896	0.9
129.07056	0.8
131.08551	5.7
133.10153	4.2
135.11681	5.7
137.09666	0.9
137.13261	0.7
141.09114	6.0
145.10139	2.4
147.11699	2.0
149.13280	3.5
151.11224	0.7
155.08658	0.8
159.10194	10.2
159.11705	3.0
161.13260	1.6
163.11227	0.5
163.14868	1.8
173.13286	2.4
175.14819	0.8
177.16438	0.8
187.14850	1.1
213.11168	3.3
215.12791	63.4
243.21118	3.9
261.22159	15.6
296.20840	0.6
299.23846	0.6
317.24762	2.0
335.25806	52.9
336.26044	1.1
365.28586	0.8
377.03152	0.5
383.29510	0.9
401.30673	1.0
434.92236	0.6
457.33353	1.3
475.34222	36.2
476.34561	0.8
493.35022	3.0
654.40710	0.9
672.51703	0.7
673.43237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.9
57.03447	3.6
57.07079	33.7
61.02931	11.4
67.05508	9.2
67.05860	0.2
69.03410	1.2
69.07072	7.8
71.08636	26.1
73.02920	4.1
75.04494	2.5
79.05501	1.0
81.03419	0.8
81.06592	0.7
81.07060	14.6
83.08154	0.7
83.08622	10.1
85.02909	13.7
85.10188	16.7
89.06007	0.7
91.03960	11.5
91.05469	0.9
91.24097	0.3
93.07061	0.7
95.08611	21.5
96.04489	0.4
97.02904	6.8
97.10175	5.4
98.20733	0.8
99.04440	0.8
99.08102	0.4
99.11720	0.9
103.07558	0.8
105.07072	0.4
107.08571	0.5
109.10162	10.1
111.11722	1.5
115.03932	0.8
121.10130	0.5
123.11710	4.9
125.13284	1.0
127.03928	4.4
132.04443	0.6
137.13272	2.1
145.04959	6.0
151.14796	0.6
163.06024	9.7
165.16379	0.6
165.45020	0.3
179.17839	0.5
221.22632	1.1
239.23700	20.0
257.24744	4.2
298.27304	0.5
313.27374	100.0
314.27737	1.5
331.28442	35.1
332.28766	0.6
457.30991	0.5
475.32690	3.1
672.40564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37508	0.3
53.03933	0.7
55.05513	5.3
57.03194	0.4
57.03446	3.9
57.07081	34.6
61.02618	0.6
61.02929	12.3
67.05506	11.5
69.03440	1.8
69.06734	0.6
69.07075	7.6
69.82999	0.9
69.83393	0.9
71.05016	0.5
71.08637	27.0
73.02923	5.0
75.04478	2.0
79.05474	1.7
81.03413	1.1
81.07063	15.1
81.44977	0.4
83.08624	11.3
83.09119	0.6
85.02911	17.8
85.10191	18.0
88.22149	0.4
89.06017	0.7
91.03963	14.8
91.05482	0.8
93.07050	1.6
95.04971	0.9
95.08614	24.5
97.02903	8.1
97.10173	6.1
99.04481	0.8
99.11725	1.3
103.03915	0.4
103.07570	1.0
105.07033	0.7
107.08585	0.9
109.02870	0.8
109.10156	11.2
111.11692	1.7
113.13251	0.6
115.03910	0.8
117.06982	0.4
119.08527	0.4
121.10152	0.4
122.06023	2.7
123.11739	4.7
125.13268	0.9
127.03926	5.7
135.11722	0.4
137.13286	2.3
145.04964	7.8
149.13220	0.5
150.05502	1.7
151.14850	1.0
163.06030	12.9
168.06567	2.0
209.56514	0.3
215.14153	0.5
221.22597	1.1
239.23706	20.5
257.24786	3.8
274.14310	0.8
298.27341	0.6
302.13922	1.2
313.27377	100.0
314.27652	1.4
320.14883	1.6
331.28442	49.7
332.28778	0.4
335.25797	1.2
394.18484	0.4
475.32904	0.5
558.35535	0.4
636.40021	0.4
654.40094	1.4
672.41974	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.4
55.01871	10.5
55.05513	31.3
57.03439	10.8
57.07074	10.4
60.96512	2.3
65.03947	6.4
67.01873	6.5
67.04274	2.4
67.05509	100.0
68.05033	4.1
69.03432	7.0
69.07064	20.7
69.22419	13.8
69.22842	5.4
71.05001	4.7
73.56997	1.9
77.03939	2.3
79.05497	76.4
80.05010	23.7
81.03425	11.9
81.07060	68.8
82.02996	2.2
83.01358	4.2
83.04971	5.7
83.08630	17.5
84.04510	3.2
85.02894	3.8
86.06079	2.5
89.37096	2.1
91.05485	60.7
92.04976	2.9
93.07045	62.8
94.06563	11.3
95.04978	8.8
95.08614	44.1
96.04503	10.1
97.02908	4.1
97.06532	5.9
97.10166	8.9
103.05510	5.6
104.04994	20.7
105.07035	50.2
106.06563	27.4
107.04959	4.2
107.08595	40.1
108.04492	6.6
108.08098	2.4
109.06532	8.0
109.10162	42.6
109.10852	3.9
110.06050	5.8
111.08086	7.6
115.05449	4.1
117.07019	27.7
118.06525	3.5
118.16764	1.9
119.08585	43.2
120.04478	3.5
120.08088	4.8
121.06551	3.9
121.10152	21.5
122.06023	34.4
123.08101	4.3
123.11726	4.9
125.09638	8.3
127.03931	3.5
128.03477	5.0
128.06241	4.3
128.11975	2.1
129.07002	11.7
130.06494	2.5
131.07539	3.6
131.08571	34.5
132.04462	71.0
132.08078	4.6
133.05214	3.2
133.10136	24.4
134.06029	44.8
135.08054	7.6
135.11687	13.0
136.07590	8.7
137.09624	5.3
138.05487	3.4
140.03448	5.1
140.07108	2.3
141.06998	5.2
142.07828	3.2
143.08614	12.9
144.08145	2.5
145.05136	2.6
145.06430	2.5
145.10129	26.1
146.05998	21.2
147.07997	3.0
147.11696	22.6
148.03972	3.6
148.07550	4.4
149.09634	3.2
149.13248	7.8
150.05504	21.1
152.07054	17.1
153.09096	3.2
154.05025	4.1
155.08566	9.0
155.10695	2.8
156.08072	2.1
157.06523	2.7
157.09030	3.1
157.10156	13.8
158.06023	7.1
159.11726	22.6
160.03990	2.5
160.07576	9.5
161.09708	2.7
161.13295	11.1
162.05547	3.6
162.09116	3.3
163.11218	2.3
164.07002	2.8
165.12718	2.3
167.08522	4.5
169.10132	8.6
170.09705	2.9
171.10374	3.5
171.11646	14.6
172.07591	11.0
173.09637	2.8
173.11789	5.5
173.13272	12.8
174.05502	3.4
174.09195	5.7
175.11180	4.8
175.14825	3.6
181.10178	3.5
183.11678	6.7
184.07591	4.4
184.11174	2.3
185.13220	5.4
186.09196	7.1
187.14853	6.3
188.07109	2.6
188.10651	3.4
189.11224	3.9
189.12790	3.4
190.08798	2.5
193.12274	5.2
195.11740	4.1
197.13286	6.9
198.09148	4.3
199.13133	2.4
199.14880	4.9
200.10733	2.9
210.09189	5.0
211.14868	3.7
212.10687	2.7
213.16426	2.3
214.12387	3.5
216.13966	2.1
223.15041	3.5
224.10739	3.0
227.12846	5.6
228.13876	4.0
229.14284	14.6
238.12273	4.1
240.13821	3.7
241.19504	5.1
252.13895	3.8
257.19089	2.7
259.20667	8.2
261.22015	3.2
268.16922	2.7
277.21591	2.7
280.16986	2.6
287.20248	2.5
301.10239	2.3
301.21582	2.6
302.13867	2.7
303.23270	3.4
333.24335	3.6
335.25699	4.0
362.25046	2.2
364.26248	4.9
380.25861	4.5
389.26932	2.1
390.24316	6.5
392.25952	16.3
396.20349	4.2
401.29062	5.9
408.25555	9.8
410.26907	10.1
426.26379	2.4
435.32727	2.5
438.25916	2.4
466.29398	4.5
527.37238	3.2
528.34479	2.3
544.34137	3.0
562.35077	2.8
608.39789	2.7
618.37872	2.7
620.39636	19.8
636.38458	12.8
638.40356	12.8
644.41461	10.2
654.39886	16.7
670.60687	2.3
672.30505	3.5
672.41046	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
55.05519	0.4
56.05038	1.8
57.03442	0.8
60.04527	0.6
60.05648	0.5
61.02920	0.4
65.03967	0.3
68.05025	1.9
69.03429	0.8
69.07061	0.3
70.02996	0.3
70.06598	100.0
71.06914	0.7
71.51473	0.3
72.08154	2.0
73.02922	0.4
74.06088	3.6
81.03436	0.3
83.06152	0.5
83.82611	0.3
84.04510	3.8
84.08150	5.7
85.02914	2.0
85.07671	0.3
85.08510	0.3
86.06068	2.3
86.09718	2.4
88.03933	0.2
91.03960	0.3
91.05485	7.7
96.04479	0.5
96.08131	0.6
97.02903	0.8
98.06078	0.5
98.09701	1.2
101.07213	0.3
102.05543	0.9
107.04946	1.6
110.06033	0.4
110.07166	0.8
110.09676	0.3
112.08736	0.3
113.07135	0.4
114.05547	0.4
115.03951	0.6
115.08741	0.3
116.07090	0.7
118.06604	0.5
119.04951	7.7
120.08079	0.4
121.06506	0.5
122.06057	0.4
125.07131	0.6
126.05528	0.3
127.03887	0.5
127.08695	1.0
128.07117	0.5
129.10266	2.3
130.05025	1.7
133.05016	0.4
134.45024	0.3
136.07588	75.0
137.07928	0.7
140.14349	0.5
145.04942	0.3
146.06036	0.4
147.04437	1.5
148.06059	2.7
148.07523	0.5
151.08604	0.5
153.10237	3.2
155.08162	1.0
156.06491	0.3
157.09692	0.3
158.06088	0.6
160.07608	0.4
171.11287	2.6
174.09122	0.4
179.08107	0.3
181.09724	4.7
185.21318	0.2
187.10857	0.3
192.10185	1.0
199.10823	2.5
202.08647	1.6
209.09283	0.9
213.12242	0.3
225.08720	0.4
227.10281	1.1
245.11349	81.8
246.11522	0.6
254.11798	0.9
265.11841	1.5
265.61185	0.3
285.10870	0.3
287.05502	0.4
299.13922	9.8
301.12173	0.5
302.03641	0.4
304.21564	0.4
327.13443	8.6
328.15036	6.4
332.05249	0.9
333.05707	0.9
346.16116	16.2
347.07590	3.4
348.07968	4.4
382.17450	0.6
384.15323	0.8
410.16611	0.3
428.18213	5.6
446.18698	0.7
481.20993	0.3
491.21280	0.7
500.26639	0.3
654.18506	0.3
654.27783	4.2
671.57202	0.3
671.83545	0.4
672.29755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41555	0.3
55.05515	1.6
57.07071	0.7
67.05511	3.7
69.07076	1.9
71.11912	0.9
79.05495	1.0
81.07059	3.1
83.08635	1.3
91.05487	1.3
92.09420	0.3
93.07047	1.4
94.87971	0.4
95.08629	2.5
97.10181	0.7
105.07031	0.7
107.08629	0.6
109.06534	0.3
109.10176	1.1
119.08646	0.8
121.10142	1.0
131.36757	0.4
167.70633	0.5
189.45827	0.4
200.66698	0.4
229.14307	0.4
278.12772	0.4
312.26282	0.7
335.21985	6.9
337.27563	0.9
391.24582	2.5
546.42432	0.5
628.85736	0.5
671.48608	100.0
672.48944	2.6
696.55811	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2771
Annotation	CHEBI:69781
Peak:m/z	Relative Intensity
55.05518	1.7
56.04790	0.5
56.05046	6.7
57.03445	0.4
59.05013	0.3
61.01160	4.9
67.05504	0.4
69.03433	1.0
69.15482	2.6
70.02954	1.0
70.06259	0.3
70.06605	4.5
71.04998	0.4
72.08168	16.7
73.08515	0.4
74.02461	0.4
74.06073	1.1
76.72132	0.3
80.05039	0.4
81.03405	0.9
81.07057	0.3
84.04520	1.2
84.08176	1.5
84.08591	0.3
85.02914	1.7
86.06116	0.4
86.09716	4.8
87.04466	0.3
87.05596	1.1
87.10045	0.4
88.04006	8.9
91.05495	1.8
93.07054	1.1
94.06543	0.3
95.05009	0.4
97.02894	1.0
98.06067	7.3
98.06680	0.5
98.09657	0.7
103.05493	4.1
104.05347	18.1
110.07168	0.4
115.08652	0.3
118.06568	0.3
119.04980	0.3
120.08125	100.0
121.08458	0.7
121.10162	0.4
124.07629	0.5
127.03941	0.9
129.06883	0.3
129.10225	0.8
130.05031	0.6
130.06541	0.9
133.05136	0.3
133.06110	4.2
136.07593	0.6
143.11838	0.8
144.08150	0.5
145.04953	0.5
146.06372	17.7
147.04436	2.3
148.06053	0.7
148.07547	0.4
163.11214	0.3
164.07108	0.5
171.11278	0.3
172.07620	0.9
174.05875	20.6
175.08635	1.6
185.16522	1.3
190.08667	0.4
199.07402	0.3
200.07126	1.1
211.60268	0.3
213.16006	0.6
215.10294	0.9
217.09869	1.0
217.13196	0.3
219.14941	2.0
232.12959	5.0
235.10811	10.1
237.02798	0.3
241.07695	0.4
247.14488	1.7
249.11011	0.7
249.67694	0.3
260.67215	0.3
263.10367	2.8
278.10312	0.4
284.19849	0.3
287.05548	5.9
288.05579	0.3
289.08585	11.3
316.16833	0.5
334.17435	0.4
362.17166	1.7
366.33710	0.2
379.19946	0.5
392.59863	0.3
408.15933	13.0
436.15454	29.3
437.15689	0.3
489.21881	0.9
497.13263	0.8
498.13992	0.3
507.22696	1.0
535.22070	3.3
667.34198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
57.03439	1.0
57.07077	1.1
59.28434	0.6
61.91705	0.6
62.25652	0.8
67.05508	4.2
69.07098	1.5
71.08637	2.2
73.05354	0.6
78.39748	0.7
79.05505	3.9
81.07072	5.0
83.08633	1.3
86.79842	0.7
88.54591	0.7
91.05500	2.0
93.07044	3.2
95.04988	1.3
95.08602	3.7
97.06509	0.9
99.08114	1.8
105.07012	1.5
107.05028	0.6
107.08608	2.3
109.10182	1.7
110.66332	0.7
119.08639	1.5
121.10169	1.9
121.24995	0.5
121.45671	0.6
123.11761	0.9
125.46765	0.7
133.10106	1.3
134.06989	0.7
135.11726	1.4
137.09688	0.7
151.11234	1.0
161.13368	1.4
178.70442	0.7
179.14363	2.0
203.35208	0.6
211.04012	0.7
223.12830	0.7
261.24301	1.1
302.39572	0.8
317.20895	9.0
318.03638	0.6
330.20486	0.7
333.20648	1.4
337.27585	0.8
344.60883	0.6
373.23584	6.5
626.14905	0.8
638.12708	0.9
667.45483	100.0
668.45569	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	666.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01864	2.0
55.05515	19.6
57.03447	6.8
57.07078	5.0
65.03938	3.8
67.05508	71.3
69.07072	23.4
69.30805	3.0
69.31231	3.3
71.04990	3.0
71.08633	5.9
71.87251	0.8
79.05495	31.9
81.03422	2.0
81.07060	72.8
82.07375	0.9
83.04983	7.8
83.08616	13.0
83.26855	0.8
85.06532	2.6
91.05483	23.4
93.07048	35.3
95.04961	8.3
95.08610	41.3
96.22740	0.7
97.06528	6.3
97.10179	4.8
98.21525	1.5
99.08109	5.4
103.05472	0.7
105.07038	14.3
107.08605	17.4
109.06503	1.3
109.10154	16.5
111.08085	4.3
111.11703	0.7
113.09666	1.4
117.07037	6.6
119.08582	9.1
121.06496	1.0
121.10141	10.7
123.08080	1.0
123.11700	6.1
125.09647	1.7
129.07040	1.8
131.08586	6.1
133.10136	8.4
135.08044	1.5
135.11711	7.3
137.09612	1.0
137.13287	2.8
139.11197	2.8
143.08623	0.7
145.10162	2.5
147.11679	6.0
149.13280	8.5
150.55869	0.7
151.11162	4.9
151.14795	1.4
157.10152	1.1
157.74826	0.7
159.11670	4.6
161.13226	4.0
163.11215	3.0
163.14882	1.8
165.12828	1.0
165.16278	0.7
173.11702	0.7
173.13162	0.8
175.14809	1.9
177.12752	2.6
179.14375	1.4
185.13336	1.0
189.16353	1.0
195.13736	3.6
216.53610	0.8
227.12863	2.1
229.14349	2.2
241.19420	1.3
251.16458	2.2
259.20663	2.0
263.23727	3.0
269.17484	15.7
277.21652	7.1
279.23077	0.8
316.05698	0.8
335.25809	1.0
337.27353	38.0
338.27631	1.0
351.25278	10.9
353.27087	1.0
491.37289	4.9
492.24203	0.8
507.36276	0.8
509.71161	0.7
517.38940	1.0
526.44000	0.8
531.40472	100.0
532.40808	3.0
545.82428	0.8
613.48260	8.0
631.49384	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	666.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63420	0.3
53.03931	0.9
53.66098	0.3
55.01870	4.0
55.05515	7.7
57.03445	2.3
57.07084	2.0
65.03933	0.8
67.05508	15.5
69.03439	0.3
69.07072	9.7
69.70967	1.6
71.04973	0.8
71.08630	0.7
79.05495	7.7
81.07060	36.6
83.04974	2.2
83.08157	0.4
83.08626	4.6
85.06535	0.6
85.10176	0.5
91.05479	4.2
93.06485	0.4
93.07050	5.5
95.04954	0.5
95.08612	15.1
97.06527	1.4
97.10162	2.0
99.08081	0.7
105.07036	4.1
106.79527	0.3
107.08601	5.7
109.05799	0.7
109.06519	9.4
109.10172	5.7
111.04449	15.3
111.08073	1.4
117.07034	0.9
119.08589	4.5
121.10150	4.6
123.08047	1.5
123.11717	2.9
125.05990	3.3
125.09669	0.6
128.06226	0.4
129.07010	0.4
131.08597	1.9
133.10132	5.1
135.08055	2.5
135.11700	5.2
137.05983	100.0
137.09613	1.1
137.13260	2.5
138.06328	0.5
143.08557	0.9
145.10118	1.5
147.08038	2.0
147.11688	7.2
147.28603	0.3
149.09644	3.9
149.13257	1.3
151.07535	2.2
151.11198	1.2
151.14818	0.5
153.09184	0.3
157.10081	2.1
159.11742	0.7
161.09624	6.4
161.13306	2.5
163.11218	3.0
163.14812	1.2
165.09135	2.3
165.12715	0.9
167.10664	0.9
171.11685	1.0
171.16452	0.4
173.13257	0.7
175.11200	5.0
175.14789	1.5
177.09123	0.6
177.12744	0.7
179.10652	1.6
181.12262	0.6
185.13275	0.5
189.12787	1.3
193.12234	1.4
203.14299	0.6
203.17976	5.9
205.19476	0.6
207.13797	0.5
213.16383	2.9
221.19019	1.4
223.14870	0.6
231.17448	8.1
241.15874	1.1
242.06538	0.3
249.18518	5.2
277.18002	47.5
278.18439	0.5
295.19037	8.4
337.27365	27.6
338.27753	0.6
351.21683	19.4
369.22586	1.9
371.80270	0.3
613.44641	70.4
614.44751	1.8
631.45795	3.2
666.48578	0.6
667.45374	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01869	3.8
55.05516	27.8
57.03442	13.1
57.07073	6.5
60.23203	1.2
65.03929	4.2
67.05511	93.1
69.03423	1.9
69.07073	35.2
69.85093	1.7
69.85484	3.5
71.04983	3.5
71.08618	3.1
71.54659	1.0
73.48704	1.0
77.03927	1.4
79.05502	45.7
81.03412	3.2
81.07062	100.0
83.04988	7.1
83.08625	18.9
85.06530	2.9
85.10146	1.5
91.05487	41.4
93.07049	51.1
93.35369	1.1
93.64355	1.1
95.04971	9.1
95.08612	59.3
97.06535	11.2
97.10184	7.5
98.98439	1.1
99.04372	1.1
99.08085	3.6
105.04537	1.2
105.07035	30.3
107.04949	3.7
107.08604	28.6
108.95435	1.1
109.06510	3.3
109.10168	25.2
111.08062	4.8
115.05444	1.9
117.07011	10.4
119.08588	24.0
121.06499	2.6
121.10153	18.4
123.08051	2.8
123.11724	9.4
125.09618	2.6
128.06233	1.2
129.06982	4.6
131.08559	14.0
133.10143	22.6
135.08038	3.4
135.11711	12.1
137.09604	3.2
137.13205	2.3
139.11125	1.8
143.08557	3.9
145.10118	11.5
147.11696	11.2
149.09587	5.8
149.13289	10.1
151.11156	1.4
155.08546	1.5
157.10124	3.6
159.11729	8.7
161.13268	5.3
163.11177	4.1
163.14769	2.2
165.12794	1.6
171.11684	3.8
173.11818	1.6
173.13258	3.6
175.11183	1.4
175.14835	2.5
177.12714	3.0
183.11690	2.6
183.58488	1.1
185.13246	2.4
187.14810	1.4
189.16364	2.2
195.13794	4.6
199.14818	1.6
205.12312	1.3
217.15939	1.5
219.17436	2.2
227.12785	1.9
229.14378	6.2
229.19487	3.2
235.16873	1.5
238.00574	1.4
239.18076	2.4
245.22635	1.9
247.20647	2.0
251.16275	1.4
255.15889	9.8
257.19049	7.9
261.22293	1.2
263.21097	1.0
263.23752	6.4
267.15775	2.2
269.17487	16.6
275.20068	26.5
283.19031	1.7
291.19818	1.6
293.21133	1.8
309.20480	2.8
331.22653	2.3
335.25681	2.5
337.27390	93.2
338.27707	1.6
349.23740	20.5
351.25488	1.7
351.44034	1.1
367.24799	4.5
491.37177	3.9
492.08902	1.2
517.38837	19.6
529.38562	2.1
531.40491	79.2
532.40857	2.0
547.39771	1.3
552.32550	1.3
571.43591	14.7
608.39581	1.5
611.37311	0.9
611.46564	17.8
612.89691	1.1
629.47510	5.6
688.38770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.6
53.03938	5.7
55.01870	5.4
55.05278	1.9
55.05518	36.0
57.03442	19.5
57.07067	5.7
65.03940	3.1
67.05508	97.5
69.03422	3.1
69.07070	35.9
69.33336	9.9
71.04974	4.9
71.08642	9.9
71.86536	1.5
76.06792	1.3
79.05495	62.1
79.55530	1.4
81.03416	1.7
81.07059	100.0
83.04998	8.3
83.08618	18.4
85.06552	4.4
91.04906	2.5
91.05482	51.6
93.07050	65.2
93.07641	3.5
95.04992	7.9
95.08611	68.1
97.06534	8.4
97.10178	13.8
98.20798	3.1
99.08096	11.0
105.07034	43.6
107.04934	2.3
107.08595	35.5
109.06503	6.4
109.10161	32.0
111.08076	5.2
117.07033	15.0
119.07717	1.8
119.08583	32.9
121.06541	2.8
121.10153	27.1
123.08077	4.8
123.11730	7.8
125.09641	11.0
128.06192	1.5
129.07030	4.5
131.08574	23.4
133.06458	1.4
133.10141	27.4
135.08087	4.8
135.11697	14.6
137.09589	3.3
137.13255	4.2
143.08557	5.5
145.10130	20.0
147.11690	22.9
149.09607	6.3
149.13254	10.3
151.11134	3.4
153.12703	1.7
155.08551	2.4
157.10159	4.0
159.11699	19.4
161.13261	10.1
163.11195	5.0
163.14839	5.6
165.12721	4.1
167.14320	1.9
169.10126	3.4
171.11696	4.9
173.11852	1.6
173.13268	8.6
175.14812	4.2
177.12755	4.2
177.16461	1.8
179.14244	4.0
183.11731	3.0
185.13319	7.7
187.14819	5.9
189.11244	4.7
195.13701	1.6
199.14870	3.3
201.16394	2.0
203.14409	3.4
205.15956	3.3
215.56587	1.4
219.17392	1.8
227.12805	17.7
229.14334	5.7
229.19594	2.5
239.17958	4.1
243.21088	3.6
245.22580	2.0
257.19040	8.6
259.20737	7.5
261.22107	6.7
263.23636	4.3
267.15854	4.0
269.17438	11.2
275.20062	28.2
277.18713	1.4
277.21579	9.5
279.23141	7.6
293.21127	5.7
295.22247	2.1
327.07721	1.9
331.22775	2.7
333.24216	6.4
335.25836	25.5
336.26019	1.5
337.27393	63.3
349.23718	27.4
351.25293	12.1
353.26697	9.2
433.32825	1.9
440.19717	1.9
489.35794	4.6
491.37238	6.6
507.37201	3.0
517.38428	1.9
529.31586	2.3
529.38934	31.9
531.40320	3.6
547.40070	1.8
548.43134	1.7
571.43622	2.3
611.46625	34.3
620.74115	1.7
629.47534	10.0
633.95184	1.8
664.48334	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	664.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09023	0.9
53.03940	5.8
55.01860	3.2
55.05273	1.3
55.05515	19.8
55.31114	1.1
57.03439	9.0
57.07080	5.4
59.05013	1.1
62.27497	0.9
65.03932	3.4
67.05507	69.3
69.07072	21.8
71.04988	2.9
71.08619	4.7
71.11744	0.9
71.12062	1.3
77.03929	1.0
79.05499	50.9
81.03402	2.1
81.07060	65.6
83.04988	8.5
83.08156	1.1
83.08622	13.9
85.06535	3.7
91.05486	32.2
93.07046	56.7
94.08601	0.8
95.04973	8.8
95.08611	43.4
95.89114	0.9
97.06541	7.6
97.10169	5.1
99.08082	5.5
105.04514	1.1
105.07036	22.0
107.04950	1.6
107.08599	28.5
109.06503	3.3
109.10161	18.7
110.09621	1.0
111.08067	2.5
113.09650	1.0
115.05404	1.4
117.07038	9.0
119.08591	15.0
121.06505	1.5
121.10148	21.9
123.08105	2.3
123.11723	6.5
125.09633	4.5
125.94898	0.8
129.07010	2.4
131.08572	14.6
133.10129	11.5
135.08049	1.7
135.11710	12.3
137.09621	1.9
137.13252	0.9
139.11182	1.6
143.08583	2.2
145.10117	7.7
147.11716	7.5
149.09668	1.1
149.13263	10.8
151.11180	6.3
155.08536	1.7
157.10216	2.0
159.11734	8.6
161.13258	5.6
163.11183	3.7
163.14807	1.8
165.12778	1.6
169.10120	1.2
171.11702	1.9
173.11859	1.0
173.13232	3.8
175.14755	2.4
177.12766	2.7
179.14302	2.6
185.13229	1.8
187.14886	2.1
195.13873	5.0
201.16435	0.9
217.19363	1.0
227.12837	4.6
229.14388	4.6
241.19655	2.2
243.21185	1.6
251.16396	2.0
259.20575	3.3
261.22211	6.8
267.15958	1.1
269.17447	14.0
275.20157	4.3
277.21655	6.8
295.22888	1.0
317.24673	1.6
333.24127	1.6
335.25806	38.2
337.27441	9.5
349.23657	3.2
351.25348	10.7
369.25888	1.1
489.35675	8.2
507.36646	1.7
513.42249	0.9
529.38898	100.0
530.39905	2.0
531.40179	1.4
552.33301	1.2
608.39319	1.6
611.46698	11.8
629.47876	4.3
664.47583	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	664.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78224	0.3
53.03942	1.0
55.01863	4.1
55.05271	0.5
55.05516	6.2
57.03446	2.4
57.07066	1.1
65.03920	0.6
67.05507	13.7
69.07073	5.8
71.04993	0.5
71.08611	0.6
77.33242	0.4
79.05497	11.0
81.03395	0.3
81.07059	32.3
83.04995	2.3
83.08624	1.9
85.06546	0.7
91.05484	5.7
93.07044	10.9
95.04985	0.5
95.08613	12.3
97.06522	1.0
97.10164	1.0
101.09666	0.6
105.06373	0.6
105.07028	5.0
107.08593	7.2
109.06524	10.4
109.10164	4.7
111.04449	14.0
111.05217	0.7
111.08063	0.8
113.06081	0.5
117.07026	1.3
119.08595	5.0
121.06513	0.5
121.10147	6.8
123.08057	1.7
123.11703	2.2
125.05999	4.1
126.80455	0.3
129.07028	0.5
131.08603	2.2
133.10127	4.9
135.08058	1.8
135.11716	4.4
137.05981	100.0
137.13280	1.5
138.06281	0.4
139.07608	0.5
143.08585	1.2
145.10150	2.0
147.08064	1.5
147.11678	6.7
149.09637	3.3
149.13246	2.0
151.07561	2.8
151.11200	1.2
157.10114	2.0
159.11674	1.4
161.09639	5.7
161.13269	2.5
163.11200	3.1
163.14796	0.8
165.09138	2.7
165.12714	0.8
167.10641	1.0
171.11748	0.8
173.13315	1.3
174.10435	0.4
175.11198	4.7
175.14787	0.8
177.12732	0.8
177.16437	0.4
179.10718	1.9
179.74034	0.4
181.12141	0.5
186.53021	0.4
189.12793	1.1
193.12254	1.0
203.17966	5.8
205.19681	0.6
213.16415	2.5
221.19072	1.4
223.14789	0.5
231.17444	6.3
241.15872	1.3
249.18555	5.4
261.22104	0.5
277.18002	47.7
278.18356	0.7
295.19006	6.0
335.25800	25.4
336.26334	0.7
337.27249	0.4
351.21680	19.8
369.22791	1.3
483.42795	0.3
496.46701	0.4
512.65784	0.4
611.43079	60.7
612.43634	1.7
629.44159	3.6
665.44012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23396	5.1
53.03953	6.1
53.16391	4.4
53.40226	4.0
55.05512	29.2
57.03445	9.0
57.07077	9.1
58.06625	4.7
67.05506	83.3
69.07079	27.8
70.06584	5.0
70.64243	13.4
71.08645	24.8
79.05502	48.6
81.03467	4.6
81.07059	75.2
83.04957	5.1
83.08624	20.0
91.05489	39.0
93.07052	74.8
93.38685	5.0
95.04962	8.5
95.08615	58.4
97.06521	8.3
97.10184	5.8
99.08109	13.2
105.07037	35.0
107.04967	5.9
107.08602	31.7
109.06545	7.0
109.10156	15.9
110.09646	6.5
117.07048	10.5
119.08590	17.4
121.06513	14.0
121.10148	27.8
131.08592	19.2
133.10112	17.5
134.06024	6.9
135.11696	18.6
137.09639	6.5
142.41849	4.9
143.08566	5.8
145.10133	16.2
147.08051	9.6
147.11694	11.8
149.09743	4.7
149.13214	11.3
157.10075	5.6
159.11670	6.5
161.09625	5.1
163.14775	5.0
173.13182	4.8
177.12706	7.2
179.14334	30.4
181.99977	5.6
243.21278	6.0
261.22180	8.2
277.21664	32.7
311.18536	16.3
317.24850	6.4
335.25769	58.0
337.27231	29.7
341.30862	4.7
351.25262	36.0
367.21228	24.6
588.31000	5.1
611.46680	100.0
629.43970	31.8
664.47754	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62284	0.6
53.03938	0.9
55.05509	7.0
57.03191	1.1
57.03442	10.0
57.07082	21.7
59.04993	2.6
61.02939	4.6
65.03928	1.2
66.50170	0.6
67.05511	59.9
69.03426	0.8
69.07072	4.7
70.15209	1.5
71.04991	2.8
71.08641	19.1
73.02912	1.8
79.05491	2.6
81.03431	0.9
81.07065	14.3
83.08228	0.8
83.08630	8.5
85.02920	4.6
85.06531	2.1
85.10191	9.0
86.09707	0.7
89.06043	1.0
91.03961	2.4
91.05489	3.8
93.07063	3.6
95.08617	14.4
97.02882	2.7
97.06514	0.9
97.10174	3.3
98.20808	0.8
101.06013	0.6
103.07595	0.8
105.07041	0.9
107.08609	2.4
109.10165	61.2
111.08105	1.8
111.11698	0.8
119.08594	4.7
121.10110	0.9
123.11718	2.4
137.09619	3.0
155.10704	4.9
157.10049	0.7
159.00159	0.6
159.19412	0.6
173.10255	0.9
173.11752	16.3
176.37932	0.7
198.89691	0.6
229.14371	100.0
230.14742	0.7
239.23665	1.1
257.24704	1.4
313.27386	77.0
314.27750	1.4
467.37369	66.2
468.37418	1.5
566.06451	0.8
664.46265	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.7
57.03442	11.1
57.07080	29.1
59.04992	3.3
61.02932	4.5
64.82763	1.0
66.57221	0.9
67.05508	75.7
69.03426	1.7
69.07079	8.1
69.54432	2.4
69.54840	3.9
71.04995	2.6
71.08638	25.3
73.02916	1.2
76.28913	0.9
79.05494	1.9
81.07067	21.5
83.08625	11.5
85.02921	5.0
85.06521	2.7
85.10196	14.1
87.04445	1.4
89.06014	1.3
91.03968	2.0
91.05467	5.1
93.07031	4.7
95.08606	18.2
97.02899	3.1
97.10163	3.7
99.04432	1.0
99.11736	1.2
105.07026	1.4
107.08607	2.2
109.06621	1.0
109.10164	70.5
111.08074	2.6
119.08580	4.3
123.11717	2.4
137.09636	3.2
155.10684	5.3
173.11739	16.7
176.12164	0.9
229.14366	89.5
239.23682	1.8
257.24609	2.3
313.27377	89.6
314.27707	1.1
320.22781	1.4
437.99844	1.0
467.37363	100.0
468.37506	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	664.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06031	0.4
53.03947	1.8
55.01870	1.3
55.05508	1.2
56.05038	1.4
57.03432	1.3
60.04511	1.1
61.02926	1.0
62.10508	0.4
64.72962	0.4
66.63163	0.5
67.05495	1.8
68.05032	3.1
69.03436	4.4
69.07065	1.5
69.61616	2.8
70.06594	11.2
71.04996	5.4
71.06930	0.6
72.08174	2.5
73.02908	0.7
74.06088	0.9
77.56754	0.4
78.68906	0.4
79.01796	0.5
79.05502	1.3
81.03426	3.7
81.07043	2.7
84.04514	3.2
84.08153	7.2
85.02464	0.6
85.02895	3.5
85.06544	1.2
86.05573	0.4
86.06070	1.9
86.09220	0.8
86.09711	9.4
87.04477	0.7
87.05598	1.1
91.05477	1.8
93.07058	4.0
95.04985	0.6
95.08591	0.7
96.04498	15.1
96.05119	0.8
97.02908	4.6
97.06549	1.2
98.06075	1.0
98.09700	1.9
99.04464	1.8
103.05453	0.6
105.07038	3.3
107.04980	0.7
107.08593	5.6
108.61423	0.4
109.02899	3.1
109.06530	1.3
109.10178	0.6
110.05996	0.7
110.07188	2.6
113.07170	0.6
114.05536	100.0
115.03927	0.7
115.08685	0.5
119.04909	0.6
119.08588	1.0
120.08105	7.7
121.06514	2.3
121.10134	4.2
125.07142	0.4
126.05533	0.6
126.56804	0.5
127.03943	3.3
129.10251	2.8
131.08603	0.6
133.04939	0.8
135.08047	1.3
135.11700	1.9
136.06287	0.6
136.07587	1.8
136.09067	0.5
138.05551	0.8
138.09152	0.5
140.14360	0.6
142.12283	0.6
145.10130	3.8
147.04517	0.5
147.11668	0.5
149.09644	2.2
151.86922	0.5
152.10690	0.6
156.06544	1.0
156.07706	1.2
163.11198	9.5
166.08713	0.8
167.08307	0.5
167.10657	2.8
169.08659	2.4
173.09547	1.0
173.12891	1.6
181.09576	0.5
181.12341	1.4
191.10678	4.6
200.77495	0.5
209.11786	4.3
227.12793	8.8
269.13824	0.9
276.10791	17.7
317.13782	0.9
335.14798	0.9
353.15854	2.6
371.17026	2.0
389.17886	1.0
460.16232	0.6
466.20789	0.6
484.21710	1.8
502.22940	4.5
528.28058	0.6
632.20367	0.5
664.27985	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	663.335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17300	0.4
53.03956	0.4
55.01884	0.6
55.05510	0.9
56.05045	0.4
61.02919	0.7
67.05494	1.5
69.03436	1.0
69.07082	0.7
69.71832	2.2
70.06606	2.1
71.04987	0.4
72.08168	0.6
79.05486	1.0
81.03400	0.7
81.07053	1.6
83.04982	0.4
84.08168	1.8
85.02896	1.4
85.06525	0.4
86.09720	1.1
91.05489	2.0
93.07059	1.9
94.31391	0.4
95.04970	1.0
95.08605	1.0
97.02893	0.9
97.06557	0.7
98.20844	0.6
103.52073	0.3
105.07032	1.2
107.04954	0.5
107.08615	1.0
109.06500	0.7
109.10123	0.9
110.07182	0.6
111.08148	0.4
115.05481	0.4
117.07030	0.6
119.08594	1.3
120.08096	0.5
121.06500	0.7
121.10155	1.4
123.08080	0.5
125.09628	0.5
129.06992	0.4
129.10283	0.5
131.08566	0.7
133.10158	1.0
136.07600	0.5
143.08505	0.8
145.10187	1.0
147.08095	0.4
149.02371	0.5
151.07510	0.6
155.08592	0.4
157.10202	0.4
159.11646	0.5
161.09616	0.4
167.10709	0.8
169.10046	0.6
171.11700	0.5
181.12248	0.5
183.11693	0.5
195.11876	0.4
197.13145	0.7
233.15381	0.7
243.08476	1.1
297.18457	0.4
413.17892	0.6
427.24686	0.5
445.25607	2.4
466.28934	0.4
491.22174	0.5
501.27957	2.4
561.22400	1.3
621.24365	1.8
635.34070	1.0
645.32568	0.6
663.33551	100.0
664.33948	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	663.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24862	0.5
53.03939	0.6
55.05474	1.9
57.03394	0.6
57.07080	49.3
57.07342	2.3
62.03822	0.6
63.02335	0.7
65.03916	0.7
65.31337	0.6
67.05501	4.6
69.07037	1.4
70.75672	1.5
72.08884	0.6
76.36638	0.5
77.03947	0.8
79.05450	2.4
80.05795	0.6
81.07050	3.7
82.07354	1.0
83.04960	0.7
87.04437	1.8
91.05484	9.0
92.05739	0.8
93.06995	2.2
93.07519	0.6
94.83660	0.6
95.04932	1.0
95.08566	2.7
105.07037	3.9
107.08547	2.1
109.10139	1.5
117.07079	0.8
119.08521	1.3
123.32552	0.6
124.50953	0.6
131.08501	0.7
132.09386	0.9
133.10077	1.7
134.10413	0.8
147.11694	7.9
151.11214	0.7
152.06184	0.8
153.06998	3.0
165.04839	0.7
171.08032	0.9
218.50671	0.6
228.09331	1.1
233.03659	5.3
251.04700	18.0
253.14346	1.2
254.14568	1.0
276.20541	0.7
279.86673	0.6
307.10895	1.8
327.07809	100.0
328.08176	1.3
335.25778	2.0
336.26035	1.7
337.27362	1.6
338.27872	1.1
363.17242	1.0
365.23645	0.7
368.10144	0.9
383.14078	74.1
384.14389	1.5
439.20352	74.0
440.20758	1.3
495.26633	68.3
496.26865	1.8
551.32861	97.0
552.33240	2.4
607.39111	85.9
608.39819	1.6
628.46918	2.6
663.45441	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
65.03940	0.7
67.05502	0.9
70.06590	2.4
70.71548	1.2
79.05476	1.2
80.05009	0.7
81.07026	0.8
84.04504	0.5
84.08133	1.5
85.02889	0.6
86.09691	1.5
91.05459	1.8
93.07076	2.1
94.06569	0.9
95.08597	0.6
103.05468	1.0
105.07034	0.9
106.06561	1.9
107.07355	4.3
107.08514	0.5
108.08115	12.5
116.04953	1.1
118.06557	0.6
118.34138	0.4
120.04463	1.5
120.08102	7.1
120.40633	0.4
121.08866	0.8
122.06001	0.7
122.08788	0.6
122.09672	11.0
132.08087	0.9
134.06009	1.3
135.06790	0.8
136.07561	3.6
144.04460	3.0
146.05998	3.3
146.09659	1.2
148.07526	2.3
150.09146	58.6
152.07103	3.1
160.03943	0.5
160.07550	1.8
162.05499	1.4
162.09128	2.5
164.07068	2.7
166.08647	24.5
172.03938	26.7
174.05486	1.0
185.81303	0.4
186.09137	0.5
190.05013	2.4
190.08604	0.6
192.10176	2.2
197.10718	0.9
198.11517	2.5
199.12282	1.5
204.06561	75.2
205.06802	0.6
206.08151	0.8
209.10814	1.0
210.09233	0.5
210.11365	0.9
211.12318	1.5
213.13911	0.5
220.09987	0.6
222.11446	0.8
223.12386	1.6
225.10243	2.0
226.11110	0.5
227.11804	1.4
229.13495	0.8
235.08694	1.4
235.12352	1.1
236.09462	1.5
236.13071	0.5
237.10262	3.6
237.13882	1.6
238.10963	1.6
239.11790	3.3
241.13303	1.1
248.09462	1.7
249.10217	6.2
250.10985	4.3
251.08029	0.5
251.11819	6.4
252.08992	0.6
252.12598	1.4
253.09750	1.2
253.13399	1.7
255.11212	0.9
257.12891	0.6
262.11136	0.5
263.08868	0.6
263.11801	16.4
264.09052	1.5
264.12549	4.4
265.09827	1.7
265.13370	7.1
266.10599	1.6
267.11270	3.9
269.12811	1.6
271.11102	0.4
271.14349	0.6
273.15536	0.5
275.11716	1.0
277.09842	1.1
277.13531	0.5
278.10382	2.4
279.11264	17.3
280.11945	0.7
281.12869	6.3
282.10019	1.5
283.10764	1.5
283.14383	1.3
284.11554	1.3
285.12308	3.1
287.13907	3.8
291.11267	11.1
292.12033	3.5
293.12817	9.9
295.10760	2.0
296.11511	1.9
297.12357	11.5
299.13928	2.8
301.15610	0.5
305.14969	0.6
307.10876	3.1
309.12341	22.6
310.12799	0.8
311.10690	0.7
311.13959	3.6
313.11801	0.5
318.11746	0.5
319.10776	9.3
321.12332	1.6
323.10110	0.8
323.16229	1.0
325.11832	6.8
325.15515	0.8
327.13297	0.6
337.11810	32.5
338.12247	0.8
339.13394	13.1
339.17557	0.8
341.14938	3.4
346.19214	1.0
351.13327	0.9
357.14456	24.8
358.14838	0.6
369.14444	11.9
370.15125	0.8
371.16147	2.5
392.16092	0.5
398.14978	0.8
399.15671	1.3
404.15933	0.5
414.18085	1.8
416.15842	0.7
418.21332	0.8
430.21381	0.7
432.19232	2.0
433.19879	0.6
434.21002	0.7
446.20901	3.2
448.22455	3.7
458.17249	1.7
464.22333	0.9
474.20316	10.3
476.18048	1.2
482.19403	0.6
490.19781	1.5
492.21121	1.2
506.22888	100.0
507.23495	3.0
514.21826	0.9
536.23425	0.7
571.25781	0.9
595.25513	7.6
613.26740	3.3
627.28064	3.9
631.27704	4.1
645.28723	0.8
663.29651	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	663.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	0.5
67.05511	0.7
68.05029	0.5
70.06573	0.7
79.05477	1.4
80.05029	0.9
81.05779	0.7
81.07051	1.0
82.06581	0.5
84.08169	0.6
91.05471	1.6
92.04996	0.6
93.05795	1.0
93.07046	1.7
94.06579	3.0
98.21544	0.8
101.71960	0.4
105.07002	0.9
106.06554	6.5
107.07352	7.6
107.08494	0.5
108.04472	0.6
108.08123	27.7
110.06017	1.1
116.04948	1.6
118.06543	0.8
120.04489	4.4
120.08100	5.1
121.08862	1.5
122.06044	3.1
122.09673	22.9
132.08099	1.4
134.06007	1.8
134.09686	2.5
135.06813	2.5
136.07587	5.2
138.05478	1.0
140.07083	1.4
144.04471	3.2
144.08110	0.5
146.06015	22.3
146.09665	2.0
148.07576	10.1
150.09146	99.7
152.07072	9.0
154.04988	0.5
158.06036	0.9
160.03928	1.4
160.07567	2.6
162.05518	1.8
162.09171	1.1
164.07080	5.7
165.40562	0.4
166.08646	56.7
172.03944	15.2
172.05429	0.6
174.05540	1.7
176.07130	1.3
178.05119	0.6
183.09134	0.6
184.09952	0.5
188.03535	0.6
188.10677	0.6
190.04993	9.9
192.06592	0.9
197.10818	2.1
198.11586	2.4
199.12277	1.0
200.07013	1.2
201.10292	0.9
204.06566	22.4
207.09314	0.5
209.10754	1.8
210.09447	0.8
210.11449	3.9
211.08698	0.8
211.12270	6.1
212.13113	2.1
213.10236	0.6
218.08113	3.1
221.10651	1.1
222.07768	0.5
222.11502	1.3
223.08722	0.8
223.12326	5.5
224.09409	1.2
224.13103	1.7
225.10225	3.8
225.13837	2.4
226.11066	2.1
227.11818	3.5
229.13339	1.1
234.11684	0.6
235.08652	3.3
235.12257	2.5
236.09282	2.8
236.13124	1.2
237.10226	7.0
237.13809	4.0
238.11006	5.5
239.11794	12.8
240.12558	1.2
241.13362	1.7
243.11356	0.8
246.07602	2.6
247.08456	0.7
247.12329	0.8
248.09366	3.5
248.13139	0.6
249.10236	14.7
250.10983	10.9
251.07962	1.2
251.11809	16.6
252.08997	1.4
252.12537	3.9
253.09674	2.3
253.13420	6.9
255.11383	2.5
255.14908	5.1
256.12079	2.7
257.12903	4.2
259.14560	0.8
261.12683	0.5
262.06992	0.7
262.11050	1.8
263.11807	35.9
264.09335	3.7
264.12546	8.1
265.09790	6.3
265.13376	18.8
266.10535	4.5
266.13596	0.7
267.11304	8.9
267.14456	1.0
268.12103	1.0
269.12854	4.3
271.10913	1.7
271.14468	1.8
275.11731	1.4
276.08823	1.8
277.09714	3.2
277.12817	0.9
278.10413	5.6
279.11288	29.5
280.11914	3.1
281.12860	25.6
282.09998	1.6
282.13565	1.3
283.10837	3.5
283.14441	8.6
284.11612	2.4
285.12335	12.3
286.12729	0.5
287.13879	5.9
290.10587	0.6
291.11288	28.6
292.12073	6.5
293.09741	0.9
293.12820	28.7
294.10065	0.9
294.13449	0.8
295.10834	5.9
295.14389	1.3
296.11536	2.5
297.12341	27.3
298.13165	3.7
299.13910	35.8
300.14285	0.7
303.13483	0.7
304.08347	1.6
305.14899	4.3
307.10825	5.6
309.12332	41.5
310.12885	1.9
311.10284	2.3
311.13824	12.6
312.14658	0.7
313.12112	0.7
313.15503	1.3
319.10779	22.5
321.12302	6.0
323.10431	5.5
323.13211	0.5
323.16498	5.2
324.10959	0.8
325.11838	25.4
326.12415	0.7
327.13382	3.8
330.16003	0.9
337.11823	100.0
338.12228	1.9
339.13425	6.6
341.15048	2.7
343.13031	1.1
344.14157	0.7
346.19550	0.7
351.13367	1.2
355.13177	0.6
356.13953	0.7
357.14517	9.0
358.15326	1.0
360.20779	1.1
362.22040	0.7
369.14536	6.8
370.15451	0.6
371.16287	2.6
372.17111	0.7
374.14832	0.7
374.18866	0.7
376.20551	0.5
383.12253	1.3
384.13516	0.7
386.18710	0.8
388.20169	2.8
390.18182	0.7
392.15796	0.6
398.14850	1.2
399.15805	2.6
401.13388	8.6
402.17966	0.6
404.20032	1.0
406.21115	1.7
412.20810	0.5
414.18054	3.5
416.15137	2.7
416.20520	1.0
418.21478	0.8
420.23083	0.8
430.21509	2.9
432.19037	4.3
433.20404	2.2
434.21429	3.9
438.20334	0.9
440.16129	1.0
446.21051	8.3
447.21243	1.2
448.22345	57.2
449.22858	2.0
456.19025	1.4
458.16534	3.3
460.18765	2.6
462.20270	0.9
464.18216	2.6
474.20258	88.0
475.20660	2.7
476.18225	3.5
482.19324	2.6
492.21323	9.1
494.18845	3.0
506.22910	51.0
507.23544	1.6
514.21771	3.0
526.21710	1.5
567.24744	0.6
569.27301	0.8
571.25519	4.6
587.28381	2.2
595.25537	10.1
603.27875	1.2
613.26599	15.2
627.27734	1.2
631.27631	43.6
632.27954	1.4
645.29236	0.9
663.30286	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	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24323	2.0
52.25364	2.0
53.03936	6.3
55.01865	6.4
55.05514	35.4
57.03434	16.9
57.07082	11.4
65.03927	4.5
65.41869	1.7
67.05508	100.0
69.03422	3.7
69.06733	3.3
69.07069	39.7
69.32658	6.2
69.33073	10.0
69.65392	2.3
70.59782	2.0
71.04985	5.0
71.08617	5.8
79.05498	71.0
81.03410	4.4
81.07059	98.1
83.04973	7.0
83.08619	19.1
85.06542	5.8
87.04475	26.0
91.05486	62.1
93.07051	76.6
95.04972	9.4
95.08611	66.5
97.06532	10.3
97.10160	12.0
99.08094	5.0
105.06404	3.8
105.07043	49.0
105.07661	1.8
107.04955	10.0
107.08601	55.1
109.06521	8.0
109.10163	38.9
111.08066	5.9
117.07030	19.9
119.08585	43.8
121.06492	4.7
121.10146	33.4
123.08054	4.4
123.11685	6.3
125.09637	13.1
128.06256	3.3
129.07004	9.1
131.08588	25.8
133.10135	26.9
135.08041	6.0
135.11697	21.4
137.09605	4.3
141.07011	2.9
143.08560	6.2
145.10132	24.8
147.11693	19.8
149.09631	8.9
149.13234	7.8
151.11205	5.7
155.08553	4.2
157.10124	8.5
159.11700	20.1
161.13261	13.4
163.11212	5.0
165.12767	2.3
169.10112	3.9
171.11684	7.0
173.11856	3.6
173.13249	10.1
175.11313	2.6
175.14786	3.7
175.20126	2.2
177.12741	2.6
179.14311	9.5
183.11766	3.7
185.13246	10.4
187.14825	4.1
188.26001	1.8
189.11234	3.9
197.13243	2.2
199.14885	2.7
200.71906	1.9
201.16318	3.1
203.14400	2.5
203.28055	1.9
207.17490	2.1
219.17496	4.1
227.12741	18.8
229.14294	5.9
229.19539	2.9
239.18057	4.3
241.19350	2.0
253.38820	2.2
257.19104	13.9
259.20609	4.1
261.22287	12.0
267.15881	5.8
269.17426	3.0
273.18350	2.5
275.20074	43.1
277.21582	9.3
291.19452	3.3
313.27676	2.4
331.22665	4.4
335.25818	75.9
337.27466	3.2
349.19788	4.1
349.23700	37.5
351.25208	8.3
489.35675	15.9
490.35739	3.1
505.35208	3.9
529.38843	4.8
546.41766	3.1
569.42200	4.5
609.45288	32.4
627.46240	16.3
644.47998	3.7
662.45496	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	662.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01610	1.6
53.03941	4.8
55.01870	5.1
55.05515	32.4
57.03441	15.9
57.07070	5.8
65.03934	6.3
67.05507	100.0
68.05843	2.0
69.03419	2.4
69.06725	2.5
69.07071	27.1
70.10699	6.2
71.04993	5.2
71.08633	3.4
74.09698	1.2
77.03920	1.7
77.25098	1.5
79.05496	75.8
81.03418	4.3
81.07059	98.7
83.04990	9.8
83.08627	13.4
85.06548	4.0
87.04481	12.0
91.04907	2.5
91.05483	70.7
93.07050	81.9
95.04972	13.0
95.08611	61.6
97.06544	12.1
97.10178	6.6
97.87233	1.4
99.08070	2.9
103.05439	1.8
105.04528	2.9
105.07033	48.0
107.04970	4.1
107.08597	45.1
109.06525	8.8
109.09468	2.7
109.10159	30.1
111.08109	2.9
115.05513	1.4
117.07029	22.9
119.08591	34.2
121.06522	3.2
121.10155	34.0
123.08077	6.0
123.11725	7.7
125.09619	3.6
128.06209	5.5
129.07008	9.2
130.07803	2.7
131.08583	35.0
133.10146	27.9
135.08058	4.2
135.11690	20.0
137.09634	2.8
137.13174	1.8
139.11153	1.9
141.07013	3.6
142.07773	1.8
143.08560	16.3
143.90669	1.6
145.10120	31.5
147.08092	3.4
147.11679	16.0
149.09644	6.5
149.13254	11.7
151.11142	1.9
155.08595	2.9
157.10130	8.9
159.11696	17.2
161.09647	3.7
161.13243	7.8
163.11177	6.7
163.14862	3.7
165.12700	2.5
169.10143	4.0
171.11691	6.7
173.11833	2.3
173.13263	7.0
175.11182	1.8
175.14771	2.6
177.12804	2.4
179.14340	4.0
181.10170	2.5
183.11716	3.9
185.13297	6.3
187.11125	1.6
187.14848	4.8
189.12747	1.6
195.11746	3.8
195.13733	2.2
197.13309	2.5
199.14793	2.0
207.04198	1.7
219.17543	3.0
227.12750	1.6
229.14380	6.5
229.19565	2.5
235.16978	2.8
237.16411	3.5
241.14598	1.6
247.20663	2.4
251.16414	1.7
255.15852	4.8
257.19049	6.1
259.20731	4.1
261.22180	7.1
266.70306	1.4
267.15622	1.9
269.17523	12.5
273.18527	10.9
275.20117	24.0
277.21643	7.1
291.19626	1.6
293.20975	1.7
309.20645	3.4
331.22696	2.5
333.24210	2.2
335.25818	72.9
337.27435	17.1
343.21622	1.5
347.22067	6.7
349.23743	15.0
351.25479	7.5
367.24902	4.7
489.35654	3.4
515.37213	11.1
529.38959	53.6
543.39990	2.0
569.42114	15.1
609.45288	22.9
627.46136	9.6
662.44281	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	661.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62777	1.1
54.94522	1.1
55.01869	2.7
55.05511	8.6
55.44507	1.3
55.58319	1.2
57.03428	4.5
57.07077	23.7
65.03935	1.5
67.05509	16.5
69.07072	11.9
69.85011	3.6
69.85413	1.6
71.04988	1.6
71.08640	15.7
79.05493	4.6
81.07069	21.5
83.08627	7.6
85.06545	2.1
85.10185	8.2
87.04474	3.0
91.05470	4.3
93.07050	9.2
95.08609	25.7
97.06509	2.3
97.10154	2.6
98.21432	1.5
99.08119	1.2
105.07047	5.5
107.08609	9.0
109.06532	10.2
109.10172	7.6
119.08580	7.5
121.10154	4.4
123.08083	31.6
123.11700	2.1
131.08572	3.3
133.10100	3.5
135.08058	15.3
135.11679	3.6
137.09578	2.9
145.10127	6.0
147.11679	3.9
149.09615	3.6
149.13268	2.3
159.11687	4.2
161.09682	1.7
161.13277	2.2
163.11205	1.3
173.13171	1.9
175.14832	2.3
177.12799	9.5
179.14334	18.6
188.77234	1.3
205.15904	1.3
233.19011	1.9
247.20471	2.5
263.20178	2.9
275.20242	2.8
303.26880	10.8
313.27432	21.2
331.26334	93.2
349.19843	9.1
349.27078	2.8
387.28806	2.5
405.22171	2.9
405.30042	12.0
428.76990	1.4
442.26566	1.2
661.45514	36.1
661.53851	100.0
662.54657	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	662.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79993	1.8
52.71988	1.6
53.03943	6.1
55.01872	7.4
55.05273	2.5
55.05513	31.2
56.96614	1.7
57.03441	16.9
57.07086	9.9
59.04981	2.8
65.03950	1.7
67.05507	100.0
69.03422	4.6
69.07071	36.0
70.91291	3.2
71.04977	3.9
71.08611	2.8
79.05495	78.2
81.03415	2.9
81.07057	94.4
82.07405	2.5
83.04978	5.9
83.08622	18.8
85.06530	2.1
85.10158	2.1
85.51025	1.7
87.04468	26.7
91.05485	60.7
93.07042	76.3
95.04977	8.1
95.08611	65.0
97.06523	9.3
97.10178	17.6
99.08124	3.1
103.05477	2.5
105.07029	54.1
107.04948	6.5
107.08599	51.4
109.06531	8.3
109.10160	30.0
111.08092	4.6
117.07038	16.9
119.08581	36.3
120.57124	2.0
121.06531	3.9
121.10141	30.3
121.41964	1.8
123.08061	5.9
123.11709	6.9
125.09674	10.6
128.06250	3.4
129.06985	9.7
130.07785	2.0
131.08591	27.3
133.06464	2.1
133.10147	26.6
135.08043	5.5
135.11688	16.4
137.09641	3.4
141.06981	2.5
142.07796	3.0
143.08568	8.8
145.10118	26.0
147.11685	22.9
149.09636	8.8
149.13246	9.4
155.08575	3.7
157.10129	7.3
159.11688	21.2
161.13220	10.1
163.11214	4.7
169.10194	4.1
171.11745	8.4
173.13268	8.2
175.14830	4.5
177.12804	3.9
179.14304	3.1
183.11697	3.6
185.13206	9.4
187.14842	3.2
189.11182	5.2
189.12779	2.6
197.13261	3.0
201.16322	4.4
203.14365	3.3
211.14952	2.4
215.17886	2.5
217.15962	3.3
219.17500	6.4
227.12778	21.8
229.19531	2.6
237.98965	1.9
239.17935	6.4
241.19652	2.2
243.21109	4.0
257.19025	13.3
259.20508	3.7
261.22122	8.5
264.62378	2.3
267.15927	7.5
275.20056	47.1
277.21701	5.5
317.24652	2.2
331.22690	4.4
333.24158	2.9
335.25806	77.5
336.26425	3.9
337.27466	2.7
349.23721	46.1
351.25345	8.2
489.35699	9.1
505.34964	5.1
513.39679	2.3
515.37408	2.4
529.38776	3.9
546.41791	2.3
565.44299	2.1
569.42059	4.1
609.36029	3.1
609.45068	35.1
610.45239	2.6
626.46222	2.4
627.45715	8.2
644.47681	2.8
662.46021	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	661.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22633	0.9
55.01868	2.0
55.05515	7.9
57.03436	2.6
57.07081	21.2
59.69296	1.1
60.81135	1.1
67.05507	12.5
69.07077	7.1
71.04998	1.2
71.08636	14.6
79.05502	5.5
79.91725	1.0
81.07066	18.5
83.04967	1.3
83.08632	4.5
85.06552	2.0
85.10200	5.4
91.05513	3.7
93.07058	7.4
95.08615	17.6
97.06540	1.5
97.10160	2.9
99.08116	2.2
105.07058	3.5
107.08600	7.9
109.06528	16.5
109.10172	8.0
117.07017	1.2
119.08575	5.8
121.10181	3.9
122.07333	1.7
123.08075	24.2
123.11707	2.7
131.08617	1.9
133.10152	3.4
135.08061	15.7
135.11697	1.2
137.09595	1.5
143.39253	1.4
145.10150	3.8
147.11726	2.9
149.09639	3.3
156.45059	1.1
159.11752	1.4
161.09698	1.8
161.13351	1.7
165.12729	1.3
177.11453	1.0
177.12688	6.0
179.14316	55.1
191.14217	2.3
193.15938	1.4
205.15924	7.5
219.17337	1.5
233.19048	1.2
275.20184	2.5
282.08603	1.1
289.21967	1.5
303.26843	3.1
313.27368	13.5
313.30301	1.3
331.26331	81.2
332.26804	1.5
349.27307	2.1
405.30057	7.7
657.58221	1.4
661.54053	100.0
662.54279	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	661.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
55.05505	4.4
56.45669	1.3
56.62209	1.2
57.03444	1.8
57.07082	19.3
57.73870	1.3
59.04995	2.1
65.03934	1.6
67.05502	7.4
69.07056	4.5
69.17746	12.2
71.05019	1.4
71.08241	2.1
71.08636	43.4
73.06551	2.4
79.05495	8.4
81.07063	7.8
83.04989	1.5
83.08606	2.4
85.10190	23.2
86.09706	5.1
87.04479	24.9
89.06039	100.0
91.05483	14.8
91.61980	1.3
93.07055	11.8
95.04970	3.7
95.08621	6.3
97.06557	1.4
98.09683	1.8
99.29414	1.3
103.05432	2.2
105.07044	9.3
107.04943	4.0
107.08595	4.8
109.06516	2.2
109.10158	3.8
117.07009	2.6
119.04945	3.9
119.08608	8.6
121.06526	21.8
121.10135	3.9
123.08050	2.5
125.00003	1.8
125.09658	1.5
129.07031	2.1
130.08678	3.3
131.07054	10.3
131.08528	3.2
132.60805	1.6
133.08615	63.7
133.10127	4.1
135.08090	8.5
135.11729	3.4
143.08580	1.6
145.10133	3.7
147.08032	11.7
147.11647	2.4
149.09613	7.0
150.06772	3.1
157.10139	3.0
159.08044	1.7
163.11169	5.2
164.04849	1.3
165.09160	10.6
167.10637	2.6
169.10060	1.6
173.09607	1.6
175.09618	4.1
175.11102	2.5
177.11229	16.8
178.08691	1.6
184.07333	7.7
191.10724	3.0
193.12216	1.9
199.14830	1.6
209.11736	4.1
211.13235	2.3
219.12030	1.6
221.13731	2.7
235.13385	1.9
247.20564	17.1
273.18948	1.6
273.22137	4.0
283.17612	1.7
291.19891	2.4
291.23157	29.8
322.08826	1.3
335.25809	9.3
422.11304	1.6
433.90952	1.4
638.82733	1.6
643.44189	2.0
661.44073	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	661.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01874	0.8
55.05508	0.9
61.02966	0.9
65.03942	1.5
67.05505	2.2
68.05029	1.2
69.03446	1.2
69.07066	0.9
69.84281	3.6
70.06594	8.7
71.04984	0.8
72.08157	2.9
74.06056	0.8
79.05504	1.7
80.05020	1.3
81.03417	2.2
81.07065	1.9
82.06583	0.7
82.10633	0.6
84.04502	0.9
84.08141	6.4
85.02936	1.3
86.06063	1.9
86.09713	6.2
89.03902	0.9
91.05486	2.2
93.05788	1.6
93.07041	1.9
93.27589	0.7
94.06597	3.4
95.05021	1.1
95.08640	1.2
96.04524	1.0
97.02898	1.7
98.09695	1.9
105.07054	2.5
106.06577	2.5
107.07338	9.1
107.08582	0.9
108.04488	2.0
108.08121	30.5
110.06045	0.8
110.07194	1.3
110.09691	0.8
111.04450	0.7
116.04970	4.1
116.26645	0.6
118.06551	0.7
119.04971	0.9
119.08521	0.7
120.04422	4.0
120.08104	6.5
121.06567	0.9
122.06061	3.9
122.09676	19.0
123.08088	1.1
127.04004	0.8
129.10275	1.8
131.08577	0.8
132.08167	1.0
133.04980	0.8
134.06023	3.4
135.06795	1.9
136.07600	4.1
138.05498	1.2
138.09152	1.6
144.04440	6.7
145.04996	1.0
146.06024	8.6
147.04381	3.5
148.07594	2.0
150.09148	48.0
152.07077	1.5
158.06007	1.3
160.03955	1.9
160.07578	1.3
162.05533	2.0
164.07097	0.9
166.08670	2.1
170.09721	0.9
172.03937	24.1
174.05521	4.4
174.09077	0.8
176.07051	3.8
178.05028	1.0
183.09198	1.0
184.09872	0.8
186.09145	0.8
187.12364	1.1
188.07059	1.0
190.04999	17.4
197.07184	0.9
198.09369	1.6
198.11487	0.7
199.08746	1.7
200.09285	0.9
201.10327	1.7
204.06572	32.0
209.10870	1.2
211.08699	2.2
211.12326	1.0
212.09396	1.2
213.10286	3.1
214.11050	1.1
215.11844	4.4
222.09300	0.9
223.08798	1.6
224.09387	1.1
225.10274	3.8
226.08749	1.6
226.10938	1.0
227.11856	1.2
229.13406	1.7
235.08762	1.4
236.09473	2.1
237.10207	4.4
238.11009	2.0
239.08134	1.3
239.11853	2.7
241.09795	2.5
241.13379	0.9
242.10553	0.7
243.11327	18.9
248.09384	0.8
249.10265	2.9
250.11118	1.7
251.08286	2.1
251.11874	2.5
252.08846	1.6
253.09796	1.7
253.13423	1.6
255.11273	2.7
256.12158	1.1
257.09195	1.1
257.12833	4.3
261.10156	1.2
263.08102	0.9
263.11914	2.6
264.08673	3.3
265.09723	5.2
266.10596	2.4
267.11322	2.7
269.09271	3.6
270.10010	1.3
271.10590	3.8
273.12463	2.3
275.11102	0.8
277.09857	2.4
278.10413	1.4
279.11295	5.2
281.09601	1.5
281.12857	10.0
283.10870	5.9
283.14453	4.8
284.11798	1.0
285.12347	34.5
287.10312	6.1
287.13376	0.9
291.11310	1.6
293.09229	3.5
293.12503	0.8
294.09900	1.6
295.10883	1.8
297.12408	3.3
299.10422	1.7
300.15201	1.0
301.11923	4.0
302.12796	2.0
303.13403	45.7
304.14200	0.8
305.09381	1.0
307.10690	1.8
309.12341	37.9
310.00702	0.9
311.10416	2.3
311.14035	4.9
312.14902	0.9
313.12115	1.6
314.13174	1.4
314.16626	1.7
315.13788	1.0
316.10953	1.7
316.14542	1.9
317.15250	1.4
318.16190	1.0
323.10272	7.2
324.15036	1.1
325.11960	2.5
326.12744	1.2
327.13513	5.1
328.14679	1.2
329.11478	1.7
330.12482	4.0
330.16052	0.9
332.13684	1.0
335.10504	1.4
337.11975	2.3
340.14438	1.5
341.11465	0.9
341.15060	8.8
342.12537	1.1
343.13309	2.7
344.13962	4.0
345.14917	1.0
346.15591	3.3
353.11453	1.8
354.12332	2.2
354.16202	1.4
355.13086	2.2
356.14056	1.1
357.15219	1.4
358.11795	1.6
358.15732	3.8
360.17331	0.9
367.13184	2.3
368.14072	2.5
369.14816	1.9
370.11850	2.3
370.15979	1.4
371.12366	4.1
372.13351	5.5
372.17117	1.0
373.14352	2.4
374.15146	2.3
376.16818	1.8
382.15717	1.4
383.12415	1.7
384.13232	1.1
384.17508	1.0
385.14124	3.6
386.15060	11.1
387.15939	4.4
388.12653	1.1
388.16968	1.0
392.15933	1.0
396.13501	1.8
399.16086	1.1
400.16660	1.9
401.13705	1.9
402.14426	2.4
402.18738	1.2
403.15500	1.3
404.16251	4.5
406.17645	2.6
410.15097	2.7
412.16434	1.4
413.14468	1.5
414.14481	14.0
415.15289	25.1
416.15863	2.3
418.17590	2.5
420.15485	2.1
428.16138	4.4
430.17664	4.8
432.15479	12.8
432.20627	1.2
438.14816	1.6
444.15652	2.3
446.16925	4.4
456.15695	10.8
462.16296	7.6
474.16568	53.1
475.16791	1.6
488.18231	2.5
490.19855	12.2
492.17386	0.7
494.19128	1.1
503.26077	0.8
504.21292	6.5
506.18878	13.1
508.20987	0.9
522.22424	1.5
565.24060	0.9
567.26007	2.7
569.23962	4.5
583.25385	4.7
593.24115	8.6
611.25031	100.0
612.25269	2.7
625.26569	3.2
629.26160	2.3
643.27557	5.1
661.08057	1.0
661.34137	5.1
661.58167	1.2
661.85809	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.9
56.05017	0.5
57.03435	0.5
61.02924	1.0
65.03937	1.0
67.05488	1.5
68.05048	0.5
69.03432	0.9
69.07045	0.7
69.97376	1.5
69.97792	0.7
70.06602	4.4
71.04952	0.6
72.08112	0.6
73.02900	0.5
79.05485	1.4
80.05019	1.9
81.03416	0.9
81.05800	0.5
81.07043	1.2
84.04525	0.9
84.08136	3.5
85.02901	1.1
86.09693	1.5
89.03916	0.6
91.05498	1.7
93.05807	1.7
93.07034	1.5
94.06582	2.7
95.04981	0.6
95.08620	1.1
98.09686	1.2
98.21429	0.8
103.05473	0.7
104.46072	0.6
105.07015	1.6
106.06543	2.7
107.04965	0.6
107.07342	9.0
107.08552	0.7
108.04475	1.7
108.08124	29.6
109.10185	0.6
110.06052	0.9
116.05006	4.2
118.06567	1.2
120.04504	3.4
120.08122	4.5
121.06490	0.6
121.08919	0.6
121.10177	0.6
122.06044	2.6
122.09670	18.5
124.07584	0.6
127.03945	0.6
129.10251	1.1
130.06487	0.5
132.04414	0.8
133.10126	0.6
134.06053	2.5
135.06767	1.3
136.07596	2.4
138.05537	0.8
144.04446	5.9
144.08138	0.6
145.10155	0.6
146.06023	7.0
147.11714	0.6
148.07574	2.6
150.09149	41.9
152.07091	1.6
158.09668	0.8
160.03983	2.9
160.07620	1.5
162.05504	2.6
166.08687	1.3
168.08072	0.9
170.09682	0.9
172.03947	20.9
172.07501	0.6
174.05556	4.2
174.09146	0.5
176.07079	4.2
178.04927	0.6
182.09824	0.6
184.07591	0.7
185.07158	0.6
185.10747	1.0
187.12334	1.0
188.07101	1.0
190.05005	16.6
197.07141	0.9
197.10783	1.3
198.09195	1.7
199.08665	2.5
200.09521	1.2
201.10219	1.0
202.08641	0.6
204.06575	30.2
207.09276	1.0
210.11455	1.0
211.08736	1.7
211.12375	0.5
212.09406	1.5
213.10199	4.7
213.13756	0.7
214.11035	0.8
215.11839	3.9
223.08763	1.3
224.09537	1.6
225.10187	4.2
226.08789	1.1
226.11053	0.9
227.11830	1.5
229.09807	1.2
229.13330	1.3
235.08719	0.8
236.09535	1.6
237.10255	4.1
238.11072	2.6
239.08278	0.9
239.11862	2.2
241.09770	3.5
241.13380	1.1
243.11301	19.6
248.09560	0.9
249.10237	3.7
250.11090	2.0
251.08220	2.1
251.11842	2.2
252.08978	2.1
253.09647	2.6
253.13423	2.0
254.10464	0.7
255.11272	1.7
255.14815	0.6
256.12158	0.7
257.09274	1.1
257.12918	5.9
259.10818	0.6
261.10211	1.0
263.08246	1.5
263.11761	3.3
264.09021	2.7
264.12595	0.6
265.09671	4.7
265.12589	0.6
265.13446	0.6
266.10605	1.5
267.11316	2.2
269.09311	2.1
269.12827	0.6
271.10779	3.1
273.12405	1.9
277.09787	2.1
278.10535	0.7
279.11298	3.9
280.24432	0.5
281.09470	1.3
281.12839	11.1
283.10818	4.4
283.14462	5.1
285.12344	36.0
287.10199	5.8
288.11856	0.6
291.11276	1.8
293.09262	1.1
294.10089	1.9
295.10843	1.7
297.12296	3.2
299.10382	2.4
299.14044	0.8
300.11722	0.7
300.15152	0.8
301.11948	3.6
302.12817	1.7
303.13416	45.0
304.14417	0.7
305.09076	0.6
305.15192	0.5
307.10709	1.3
309.12332	35.6
310.13074	0.8
311.10281	1.8
311.13980	5.2
313.12015	1.8
313.15601	0.8
314.13074	1.1
314.16525	1.2
315.14066	0.5
316.10883	1.8
316.14584	1.6
317.15179	0.8
318.16177	0.7
323.10272	6.0
325.11948	0.8
326.12924	1.4
326.16425	0.6
327.13580	5.3
328.10953	1.1
328.14645	1.5
329.11441	2.5
329.15417	0.7
330.12466	2.9
330.16089	1.0
331.13440	1.5
332.13919	0.9
335.10196	1.5
336.11230	0.7
337.08438	0.6
337.12061	1.7
340.14651	1.9
341.15149	6.9
342.12503	1.7
342.16162	1.1
343.13446	1.7
344.13962	3.8
345.14761	1.4
346.15536	2.1
347.16409	1.1
352.14700	0.7
353.11731	0.8
354.12457	1.4
354.16229	0.7
355.13150	2.0
356.10190	0.9
356.14108	1.8
357.15262	1.6
358.11859	1.5
358.15628	5.9
360.17218	1.4
367.13028	2.4
368.14014	2.0
369.15079	1.0
370.11526	2.9
370.15988	0.8
371.12698	3.1
372.13306	4.7
372.17535	0.8
373.14465	1.6
374.14752	3.0
376.16583	1.3
381.10968	1.6
382.15549	1.9
383.12418	0.8
384.17172	1.6
385.14413	3.2
386.15036	12.5
386.19687	0.7
387.15903	4.0
388.12601	0.7
388.16913	0.7
389.13232	0.6
390.18481	0.8
392.15881	0.7
396.13461	1.7
397.14276	0.7
400.12332	1.2
400.16797	1.7
401.13843	2.1
402.13657	2.6
402.18439	1.7
403.15463	0.9
404.16022	5.8
406.17773	2.5
410.15250	2.2
412.16699	1.5
413.13873	1.1
414.14468	15.5
415.15302	24.1
416.16092	1.6
418.17633	2.8
420.15366	2.3
428.16003	3.6
430.17599	3.5
432.15570	13.4
438.14307	3.5
444.15216	2.3
446.16977	4.0
456.15607	11.1
462.16586	8.4
474.16617	57.4
475.16763	1.2
488.18304	2.1
494.19189	1.1
504.21399	8.6
505.22278	0.7
506.18835	13.1
522.22900	0.7
565.25098	0.8
567.26129	2.0
569.23871	5.8
575.23376	0.7
583.25427	5.0
593.24030	10.0
607.25702	0.9
611.25031	100.0
612.25366	2.5
625.26770	3.1
629.26178	1.1
643.27423	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	661.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46941	0.8
54.60464	0.8
55.01858	0.8
55.05509	0.9
65.03925	1.0
65.75067	0.7
66.58304	0.7
67.05507	1.5
69.03444	1.1
69.07072	0.9
70.06593	6.9
70.82004	2.4
72.08162	0.9
73.02887	0.8
79.05502	2.1
80.05026	1.6
81.03413	1.2
81.07050	2.4
81.88582	0.8
84.08148	3.6
85.02917	1.2
86.06081	1.1
86.09698	2.0
89.03953	1.2
91.05469	2.0
93.07065	1.9
94.06573	2.2
97.02903	1.5
105.07036	1.5
106.06572	3.3
107.07345	6.7
107.08594	1.3
108.04495	1.2
108.08125	26.0
108.08866	1.2
110.07155	1.2
110.09653	0.9
116.04970	3.1
118.06516	1.0
120.04486	4.6
120.08116	4.1
122.06033	3.8
122.09684	13.9
124.07565	1.2
129.10271	0.9
133.10205	0.9
134.06046	3.1
135.06801	1.4
136.07579	3.3
144.04454	6.3
145.06560	0.8
145.10149	1.1
146.06027	7.1
147.04448	1.1
148.07518	1.8
150.09140	34.8
152.07129	1.5
153.01846	1.7
153.15350	0.9
160.03992	2.2
160.07593	1.1
162.05545	2.1
163.06123	0.9
166.08623	1.6
169.08765	1.0
172.03938	18.0
172.33369	0.8
174.05482	4.3
176.07037	4.4
182.09665	0.9
187.12198	1.0
190.04993	17.4
197.10658	1.2
198.09239	1.0
199.08655	1.9
200.09351	1.1
204.06560	28.3
211.08673	1.8
212.09299	1.0
213.10274	4.0
214.10884	1.3
215.11826	3.4
223.08600	1.0
224.09427	1.0
225.10234	2.6
226.08614	1.7
229.09746	1.0
229.13376	1.5
235.08820	0.9
236.09413	2.1
237.10275	3.8
238.11009	2.2
239.07741	1.1
239.11844	2.3
241.09773	3.7
243.11310	16.9
244.11545	1.0
249.10342	2.5
250.11057	1.4
251.08261	1.0
251.11871	2.4
252.09032	2.4
253.09808	1.8
253.13377	2.1
255.11267	2.0
255.14746	0.9
256.12003	1.9
257.12845	4.3
261.10138	1.1
261.12607	1.1
263.08179	1.5
263.11755	3.4
264.09036	3.0
265.09647	4.1
266.10599	1.4
267.11356	3.3
269.09308	2.3
269.12778	0.8
270.10141	0.9
271.10767	2.6
273.07663	1.4
273.12292	1.9
274.13379	1.3
277.09720	2.9
279.11374	3.0
281.12851	8.1
283.10785	4.7
283.14407	4.2
285.12354	34.9
287.10229	5.2
291.11255	0.9
293.09152	1.5
294.10101	1.2
297.12344	2.7
299.10352	2.4
301.11835	3.9
302.12842	2.8
303.13382	44.6
304.13925	1.1
307.10889	1.3
309.12320	36.6
311.10489	1.7
311.13922	6.2
312.14783	1.0
313.11844	1.5
314.13068	1.0
315.10086	1.0
316.11044	1.1
316.14636	1.5
317.15210	1.5
321.14648	2.0
323.10214	6.1
326.12903	1.0
327.13599	4.5
328.14703	1.0
330.12317	3.2
330.15961	1.8
331.13376	1.8
332.14163	1.4
340.14529	1.5
341.15210	8.9
342.12439	2.0
343.13370	2.2
344.13986	3.1
345.14822	1.6
346.15530	2.6
354.12448	1.5
354.16284	1.1
356.13962	1.8
357.14948	1.1
358.11649	1.5
358.15408	4.2
368.13977	1.6
370.11856	2.6
371.12640	3.7
372.13339	4.7
372.17444	1.4
373.14392	1.8
374.14944	1.9
376.16769	1.4
381.10666	1.3
382.15646	1.5
383.12555	1.3
384.17349	1.4
385.14386	3.0
386.10739	1.0
386.15085	10.9
387.15924	5.1
388.17017	1.1
391.48517	0.8
394.16718	1.0
396.13220	1.2
399.15616	1.3
400.12537	1.4
401.13330	1.1
402.14157	1.9
402.18784	1.2
404.16122	5.2
406.17456	2.0
410.15109	2.1
412.16510	1.8
414.14542	11.9
415.15244	25.0
416.16293	2.1
418.17450	2.3
420.15472	2.4
428.16061	3.4
430.17664	4.2
432.15616	13.3
433.15875	1.2
438.14716	3.1
441.18176	0.9
444.15509	2.7
446.16916	4.2
456.15540	9.9
462.16638	7.2
474.16614	50.7
475.17099	1.5
488.18231	2.2
504.21075	5.5
506.19000	16.9
551.22516	1.4
567.26050	1.9
569.23865	5.5
583.25787	4.3
593.23767	8.9
611.25018	100.0
612.25171	3.5
625.26459	3.7
629.26300	2.3
643.27319	3.9
661.31879	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	661.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47854	0.5
65.03933	0.9
67.05508	1.3
69.03442	0.5
70.06593	2.1
70.95616	0.9
79.05489	1.6
79.38424	0.5
80.05010	1.2
81.07059	1.0
84.08148	2.0
85.02910	0.6
86.09708	0.5
89.03926	1.5
91.05495	1.7
92.04984	0.6
93.05782	1.5
93.07052	1.1
94.06571	2.0
95.05000	1.1
96.04501	0.5
97.02894	0.7
103.05492	0.5
105.07047	1.2
106.06587	2.4
107.07342	8.5
107.08552	0.7
108.04481	1.8
108.08125	31.9
109.02880	0.5
110.06034	0.6
110.09742	0.7
115.63531	0.4
116.04988	4.4
118.06578	1.4
120.04478	4.3
120.08102	5.1
121.06479	0.7
121.08897	0.8
122.06016	3.2
122.09676	17.6
129.10214	0.6
132.04474	1.2
134.06023	2.1
135.06805	1.8
136.07533	2.8
138.05559	1.0
140.07045	1.2
144.04456	7.2
144.08089	0.5
146.06010	7.6
148.07596	2.8
150.09146	40.6
152.07045	1.3
157.07616	0.4
158.06119	0.6
158.09663	0.5
160.03973	2.1
160.07639	1.6
162.05533	2.8
166.08734	0.8
168.06587	0.9
170.09708	1.2
172.03940	19.6
172.07594	0.7
174.05522	4.3
176.07056	4.4
183.09169	0.7
185.10730	1.3
187.12346	0.8
188.07190	0.8
190.05002	20.2
195.08990	0.7
196.07591	0.7
196.09966	0.5
197.07100	0.7
197.10715	1.4
198.07745	1.0
198.09386	1.2
199.08701	2.1
200.09476	1.1
201.10258	1.4
204.06572	29.9
211.08731	1.3
212.09489	1.5
213.10222	4.1
213.13902	0.6
214.10861	1.1
215.11816	4.3
223.08678	1.3
224.09503	1.7
225.10144	3.7
226.08698	1.3
226.11005	0.7
227.08202	1.2
227.11885	1.5
229.13400	1.6
233.10782	0.7
235.08681	1.2
235.12323	0.6
236.09543	1.5
237.10240	5.1
238.10992	3.2
239.08293	0.7
239.11928	1.7
241.09666	3.7
241.13405	0.9
243.11298	20.2
247.08777	0.5
248.09618	0.8
249.10283	3.8
250.11076	1.7
251.08235	1.9
251.11899	3.4
252.09001	1.9
253.09702	3.0
253.13425	1.8
255.11369	1.8
256.12103	0.9
257.12845	4.5
259.10895	0.7
261.10187	1.1
262.11111	1.1
263.08215	2.6
263.11725	3.4
264.08908	3.1
265.09824	4.5
265.13171	1.3
266.10516	2.0
267.11356	2.1
269.09198	2.9
269.12561	0.6
270.10172	0.9
271.10773	2.3
273.12317	2.3
274.13159	0.6
277.09750	3.2
277.12494	0.5
278.10577	1.0
279.08121	0.9
279.11359	4.0
281.09689	1.0
281.12830	10.3
283.10867	4.9
283.14481	4.7
284.11536	1.3
285.12344	35.0
287.10205	5.3
291.11337	1.6
292.11978	0.6
293.09305	1.6
293.12939	1.0
294.09851	1.2
295.10941	1.4
296.11600	0.8
297.12274	2.7
299.10376	2.4
299.13974	1.1
301.11783	3.6
302.12885	2.7
303.13416	47.3
304.14352	0.5
305.09164	0.9
307.10693	1.2
309.12344	41.0
310.13092	1.0
311.10446	1.3
311.13986	4.7
312.11438	0.8
312.14920	0.9
313.12195	1.0
313.16034	0.9
314.13153	0.8
314.16638	1.3
315.10464	0.9
315.13879	1.1
316.10928	1.5
316.14572	2.0
318.16077	1.4
321.14618	1.5
323.10254	6.6
323.13678	0.8
325.12155	0.7
326.13007	1.9
327.13611	5.0
328.11249	0.9
328.14697	1.3
329.11417	2.3
329.15250	0.6
330.12390	3.3
330.16125	1.2
331.13165	0.8
332.13992	1.3
335.10239	1.4
336.11148	0.6
337.08310	0.7
337.11871	2.4
339.13681	1.2
340.14639	2.0
341.15112	8.9
342.12585	2.2
342.16284	1.1
343.13525	1.8
344.14001	4.5
345.14783	1.6
346.15610	3.0
347.16428	0.8
353.11633	1.0
354.12469	1.6
354.16251	0.7
355.13232	1.3
356.13959	1.8
357.15012	1.8
358.11768	2.1
358.15646	5.0
359.16516	0.9
360.17215	0.8
361.14072	0.7
366.12363	0.6
367.12933	2.9
368.14078	1.9
369.12375	0.5
369.14853	0.6
370.11945	2.2
370.15927	1.1
371.12524	3.7
372.13507	4.5
372.17261	0.8
373.14276	2.0
374.14584	2.4
376.16818	0.9
381.10516	0.6
382.11407	0.7
382.15652	1.7
383.12851	1.6
384.13223	1.3
384.17307	1.5
385.14383	3.4
386.15021	10.9
387.16034	4.8
388.16818	0.8
390.18588	1.0
392.16147	1.2
394.17551	0.8
396.13483	1.8
398.14920	0.6
400.12466	1.0
400.17236	2.7
401.13696	1.4
402.13882	2.6
402.18839	1.3
403.15555	0.7
404.16019	5.0
406.17587	2.5
410.15060	1.9
412.16550	1.5
413.14740	1.8
414.14481	13.9
414.19678	1.0
415.15335	25.8
416.16068	1.5
418.17722	2.4
420.15622	4.0
427.15082	0.7
428.16150	3.7
430.17752	4.2
431.15747	0.7
432.15524	14.3
433.16177	0.7
438.14517	2.8
444.15109	2.3
446.16904	4.4
456.15491	11.2
458.17941	0.6
462.16599	8.3
472.18665	1.1
474.16589	51.9
475.16803	0.9
488.18390	1.6
494.19516	1.0
504.21335	8.4
505.22150	0.7
506.18948	14.0
551.23071	0.6
565.24518	1.1
567.26288	2.4
569.24103	5.2
583.25354	4.7
593.24078	8.7
611.25031	100.0
612.25531	1.5
625.26532	3.4
629.25940	2.6
643.27509	3.6
661.29449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.05507	1.4
56.05043	1.0
56.73682	0.5
61.02917	1.1
67.05494	2.0
68.05016	0.8
69.03417	1.5
69.07058	0.8
70.06597	6.2
72.08146	1.9
79.05490	1.4
81.03427	0.7
81.07040	1.6
84.04505	1.3
84.08143	4.5
85.02905	1.8
86.06045	1.0
86.09705	2.5
89.83849	0.5
91.05489	2.2
93.07040	1.8
94.06538	1.0
95.04968	0.8
95.08598	1.5
96.08150	0.5
96.96951	0.5
97.02898	0.7
98.09686	0.8
103.05425	0.9
105.07027	1.6
106.06566	1.2
107.07363	3.0
107.08598	1.2
108.08118	2.5
109.06559	0.8
109.10140	0.9
110.07135	0.9
112.08707	0.6
117.05619	0.5
120.08092	4.6
121.06535	0.5
121.08936	0.7
121.10122	0.8
122.06020	0.7
122.09658	7.6
127.03896	0.8
127.12290	0.5
129.10216	1.5
131.08534	0.9
133.10094	0.9
134.83392	0.6
136.06161	0.5
136.07578	2.0
144.04439	0.8
145.10068	0.8
146.06046	0.8
146.09610	0.8
147.04333	0.5
147.08096	0.5
147.11583	0.7
148.07568	2.3
150.09143	23.2
151.07521	0.6
163.11066	0.6
166.08644	3.0
172.03917	1.3
173.09373	0.6
204.06598	1.7
204.10196	0.9
209.10793	0.8
210.78835	0.5
211.08658	0.9
213.10358	0.6
221.10785	1.4
222.11534	1.0
223.12317	0.9
225.10158	0.9
233.10803	0.5
234.11345	0.8
235.08676	3.3
235.12270	0.5
236.09456	1.9
237.10222	5.6
237.13817	0.7
238.10982	4.2
239.11819	1.3
243.11156	0.6
247.08693	2.4
248.09377	4.5
249.10228	8.3
250.11020	13.5
250.13567	0.8
251.11794	9.7
251.14171	0.9
252.12520	0.7
253.09521	0.7
261.10202	5.0
262.11060	3.6
263.08823	1.0
263.11801	24.4
264.09152	1.2
264.12531	2.3
265.09717	3.5
265.13412	4.1
266.10544	1.2
267.11328	2.4
268.12109	0.5
276.09125	0.7
277.09799	3.2
278.10541	2.2
279.11285	22.0
280.12003	1.1
281.12851	2.6
282.09933	2.0
283.10770	0.8
283.14645	1.0
285.12576	0.8
289.09665	3.0
291.11264	10.2
292.08301	0.6
292.12036	1.1
293.09372	1.4
293.12881	5.7
294.10260	0.7
295.10718	2.5
295.14520	1.4
297.12424	1.8
299.10239	0.5
303.13562	1.8
307.10742	8.4
308.11481	0.5
309.12299	7.6
310.13068	1.1
311.13928	2.3
313.11792	0.8
314.16415	0.7
317.09103	1.0
319.10922	1.7
321.12280	1.0
323.10352	1.2
323.13968	3.4
325.11914	2.0
325.15298	1.0
327.13507	1.2
328.14450	1.6
328.18033	0.8
335.10269	6.8
336.10876	0.8
337.11801	10.0
339.13672	1.1
341.11639	0.6
341.15277	1.1
342.15927	2.5
353.11353	0.9
355.12875	5.2
355.16827	0.8
356.13754	1.5
356.17792	1.9
357.14468	2.5
358.19220	0.9
367.12875	17.6
368.13770	1.2
369.14410	3.7
370.15393	2.0
371.16196	0.9
372.20892	0.7
384.17087	2.3
385.18066	0.8
386.18790	1.1
387.19534	2.5
398.18729	1.5
400.20248	1.4
412.16754	1.0
416.19870	1.9
426.18076	1.0
428.19955	1.4
429.16455	0.6
430.17343	0.6
431.18411	0.7
433.35205	0.7
444.19128	6.8
446.20840	1.2
448.18546	0.7
453.24500	0.6
454.17883	0.7
456.15579	0.8
460.22388	6.8
472.18796	3.8
474.20877	3.1
476.21829	2.2
478.23334	1.2
490.19626	3.7
492.17474	4.3
504.21289	100.0
505.21796	4.9
506.22913	29.2
507.22925	0.7
522.22406	5.4
524.21179	0.7
593.23718	1.2
607.25513	0.6
611.25104	3.2
625.26099	1.6
627.66089	0.5
629.26074	4.1
643.26715	0.6
661.27936	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.9
55.01870	10.3
55.05514	68.3
57.03438	16.3
57.07075	19.9
57.97080	2.7
65.03944	6.1
67.05508	100.0
69.03437	7.9
69.07075	29.9
71.04978	2.9
71.08637	19.7
71.52857	3.5
74.91195	2.7
79.05499	50.3
81.07056	92.1
83.04974	7.5
83.08620	44.4
85.06523	3.0
85.10215	6.1
85.34949	2.8
88.07618	2.9
89.06005	4.1
91.05480	48.3
93.07041	43.8
95.04987	4.5
95.08611	57.8
97.06528	4.8
97.10178	66.9
99.08082	5.1
101.16253	2.8
103.05454	4.1
105.07024	22.5
107.04995	3.4
107.08600	32.4
109.06487	5.9
109.10154	38.2
111.08099	6.5
115.05444	6.4
117.07004	23.8
119.08590	48.9
120.90493	2.8
121.10142	12.7
123.11679	5.7
125.09642	46.4
129.06993	5.6
131.08565	11.1
133.10164	14.0
135.08061	10.2
135.11707	6.4
137.09430	3.1
137.13257	4.5
143.08574	6.9
145.06476	18.3
145.10098	7.3
147.11732	4.6
149.13278	7.8
153.09134	6.3
155.01045	4.5
155.08551	4.3
157.10176	6.6
159.08057	9.2
159.11708	4.8
161.09561	4.9
161.13248	8.0
171.10199	4.6
173.09616	3.7
173.11786	7.6
189.11223	41.6
197.13171	4.3
215.14320	10.1
227.12782	87.8
229.14360	20.4
253.16014	4.7
254.90540	3.1
263.23627	6.7
269.17596	14.2
271.16916	42.7
277.21625	5.6
289.17923	17.0
290.23834	3.6
291.19583	9.4
313.27359	53.0
335.25818	8.7
337.27365	67.6
345.20441	6.9
351.25488	4.0
363.21582	16.7
365.23080	6.4
369.26328	7.0
418.47888	3.6
437.50314	3.1
438.23264	3.2
467.37173	21.4
507.36926	43.5
589.48547	4.6
607.42102	16.5
625.34625	6.1
625.44568	62.2
660.50281	3.5
680.49731	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	660.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01864	1.1
55.05515	4.9
57.03444	3.7
57.07079	0.7
61.02929	2.6
65.03937	0.8
67.05508	24.2
69.03430	0.7
69.07073	7.8
70.06586	0.9
71.04992	2.1
71.51603	0.5
71.51968	0.3
72.08177	0.4
73.02911	1.0
77.03925	0.4
79.05498	14.3
81.03432	2.0
81.07059	32.6
83.04998	2.0
83.08154	0.5
83.08617	7.2
84.08141	1.0
85.02911	2.1
85.06547	2.0
86.00349	0.3
86.09698	0.4
91.04003	1.4
91.04908	0.4
91.05485	11.2
93.07050	22.7
95.04961	1.9
95.08614	8.6
97.02871	1.8
97.06541	4.7
97.10195	0.8
99.04471	0.4
99.08076	1.1
103.05372	0.3
105.07029	5.8
107.04954	0.9
107.08600	14.1
109.02863	0.3
109.06530	1.6
109.10144	2.5
110.07244	0.3
111.08091	2.7
111.11724	0.4
113.06052	0.4
113.09626	0.4
117.07021	4.8
119.08576	2.6
121.06519	1.8
121.10148	8.0
123.08035	0.6
123.11718	2.3
125.09618	0.7
127.03909	0.7
127.07582	0.3
128.06180	0.3
129.07005	1.6
131.08572	6.7
133.10133	7.5
135.08020	0.9
135.11705	4.5
139.11203	0.5
141.06979	0.6
143.08578	1.6
145.04880	0.3
145.10132	2.0
147.07985	0.4
147.11703	1.1
149.09621	0.9
149.13266	11.2
151.11229	0.7
155.08540	0.8
157.10168	1.1
159.11705	6.2
167.08583	0.4
169.10184	0.8
171.11690	1.1
173.13187	0.4
177.12743	2.4
181.10139	0.4
183.11732	0.5
185.13281	0.5
195.11960	0.6
195.13797	5.7
197.13326	0.7
199.14874	0.8
201.12747	0.4
209.13275	0.6
213.14871	1.1
251.16364	1.9
269.17490	24.7
306.44577	0.3
353.24829	1.3
371.25977	1.1
389.26859	1.0
395.20279	0.4
413.21970	0.5
427.28448	0.7
445.29507	12.5
463.30569	100.0
464.30954	1.5
481.31573	1.3
531.75940	0.3
589.33148	0.4
607.34833	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	660.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01873	1.4
55.05503	1.2
55.92822	0.3
56.05024	0.6
57.03442	3.7
58.06582	0.8
59.05003	0.3
60.04522	0.3
61.02930	2.7
67.05503	5.2
68.05022	1.4
69.03430	12.4
69.07069	0.8
70.06596	12.3
71.01353	1.1
71.04994	3.3
71.51381	0.3
72.08165	1.6
73.02924	3.1
74.06096	0.6
79.05507	0.4
81.03419	4.6
81.07056	1.7
82.06600	0.4
83.01340	0.3
83.04987	1.5
84.04499	1.5
84.08149	11.7
85.02908	32.9
86.06079	1.7
86.09705	2.9
87.04469	2.6
91.03972	2.2
91.05482	0.7
95.04964	0.4
96.08144	1.4
97.02896	10.1
97.06533	0.3
98.06049	0.5
98.09697	78.3
99.04475	2.6
99.10040	0.4
102.05551	0.6
103.03928	0.6
107.04968	1.7
109.02888	3.6
109.10176	1.8
110.07180	1.4
110.09667	0.3
111.04453	0.9
111.10457	0.9
112.08759	0.4
112.11221	1.4
114.05484	0.4
115.03913	1.2
115.60309	0.3
119.05038	0.3
120.08096	0.3
121.02900	0.5
125.02377	0.8
126.12851	0.3
127.03926	7.6
127.12314	1.7
129.05496	0.5
129.10266	1.6
133.05002	1.9
135.04366	0.5
136.07576	1.3
137.05991	13.2
138.12782	1.4
140.14348	35.8
142.12434	0.3
145.04967	4.6
147.04393	0.7
147.06468	0.3
158.15410	16.3
181.39250	0.3
187.10910	0.4
201.12355	0.4
204.72356	0.3
245.26639	0.3
299.05383	0.3
320.18542	12.4
339.08752	0.6
352.21231	3.7
433.97424	0.4
510.66739	0.4
511.55405	0.3
516.07227	0.4
580.90051	0.4
624.39221	0.3
624.83459	0.4
628.29700	9.7
637.31433	0.4
660.32275	100.0
661.22717	0.5
661.32416	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.05487	0.7
55.97194	0.4
61.02880	0.5
61.09188	0.4
65.03930	0.5
67.05455	1.7
69.07028	0.7
70.06593	3.6
71.04946	0.5
71.36778	0.4
71.51884	0.5
72.08135	0.8
77.51603	0.5
79.05444	2.0
79.05852	0.4
80.04986	0.9
81.03368	1.0
81.06996	1.5
84.04491	0.4
84.08099	1.9
85.02867	1.3
86.09653	0.5
86.64629	0.4
87.05553	0.4
91.05435	1.1
93.06984	1.3
94.06563	3.1
95.04919	0.6
95.08572	0.8
97.02829	0.6
98.09675	0.6
99.04420	0.5
102.08466	0.4
105.07027	2.3
105.77649	0.5
106.06586	2.2
106.07164	0.5
107.07341	11.5
107.08514	0.5
108.04467	0.7
108.08107	2.2
109.10138	0.6
110.05982	0.9
114.40471	0.4
119.08496	0.5
120.04430	1.0
120.08105	2.2
121.06473	0.8
121.08828	0.8
122.06081	2.3
122.09674	21.9
129.06940	0.6
132.08072	0.6
133.06422	0.6
133.10068	0.8
135.06818	2.4
135.07704	0.5
136.07504	1.2
137.05978	0.8
140.07034	0.5
145.10008	0.6
146.06004	1.3
147.04420	0.8
150.09148	47.1
151.87352	0.4
159.07970	0.5
160.07571	1.5
172.04012	0.4
174.09119	0.5
178.04999	0.6
193.07603	0.6
197.07050	0.7
198.07805	1.2
204.06491	0.6
206.08345	0.6
207.09167	0.8
211.08658	2.4
219.10234	0.6
220.09885	0.9
221.10742	2.9
222.11417	0.6
223.08681	1.1
225.10332	1.1
233.10580	0.8
234.07794	1.0
234.11359	0.5
235.08694	3.5
236.09335	1.3
237.10268	2.4
238.11087	0.6
247.08733	3.2
248.09451	3.1
249.10245	24.7
250.11002	5.0
251.11781	3.7
253.09715	1.3
261.10181	3.8
262.11072	2.2
263.08209	1.7
263.11884	4.9
264.09003	1.2
264.12653	0.8
265.09662	2.2
267.11151	0.6
273.10181	1.0
275.08081	2.7
276.08957	0.6
277.09744	17.7
277.12872	0.9
277.16013	0.6
278.10495	6.1
279.07843	0.7
279.11227	4.7
281.09201	0.9
281.12711	0.6
283.10648	0.6
286.13086	0.6
289.09598	2.7
291.11301	5.7
292.11975	0.8
293.09201	2.3
293.12442	0.8
295.10822	1.3
297.12299	0.8
299.11710	1.2
299.14963	0.5
300.11395	1.2
300.15054	0.8
301.12292	0.7
302.12918	1.4
303.07507	1.3
304.08350	1.0
305.09076	0.5
307.10605	0.9
309.12378	7.9
310.13342	3.4
311.11337	1.0
311.14444	0.9
312.11560	1.4
313.12375	1.7
314.13007	3.5
315.10394	0.8
315.13818	1.1
316.11060	1.1
316.14551	1.0
317.08960	0.9
319.10449	0.5
321.08481	2.2
322.13162	0.5
323.10611	0.8
323.14053	1.6
324.11392	0.8
324.14893	2.6
325.12433	0.8
325.15729	1.5
326.09634	0.5
326.13034	2.4
326.16595	1.0
327.10245	0.9
327.14038	2.2
328.10782	3.8
328.14487	5.1
329.11603	1.4
329.15204	2.0
330.12418	1.8
330.15976	1.2
331.13193	0.6
335.10330	2.6
337.12030	1.6
338.13013	4.0
339.10318	0.9
339.14340	2.3
340.10605	2.5
340.14410	1.5
341.11588	3.6
342.12372	7.7
342.16098	1.7
343.13123	2.9
343.16797	0.7
344.13870	2.1
344.17419	0.8
346.15555	0.9
351.13867	1.2
352.10663	1.0
352.14468	7.9
353.11630	1.0
353.15164	2.4
354.12277	4.9
354.16208	3.0
355.13290	5.9
356.10373	1.2
356.13983	13.3
357.14838	5.0
358.11804	2.0
358.15662	2.6
359.12717	0.7
365.12112	0.9
366.12369	1.5
367.13116	1.3
368.10367	1.8
368.14438	2.5
369.10999	1.8
369.15112	2.4
370.11804	3.6
370.15781	7.3
371.12537	1.4
371.16711	3.0
372.13226	1.9
372.17099	5.0
373.14185	1.0
374.10986	0.7
374.15033	1.3
379.13263	0.9
380.13995	4.1
381.14630	1.7
382.11234	3.0
382.16016	4.6
383.12833	2.5
384.13416	11.7
385.13901	3.9
385.18066	1.7
386.11124	1.2
386.15216	2.3
386.19260	0.9
387.16190	0.9
388.12540	0.7
388.16986	1.0
389.17569	1.1
395.12845	0.7
396.13507	1.5
397.14136	4.0
398.15042	12.2
399.15961	7.0
400.16742	14.4
401.13583	0.8
402.14639	2.5
403.15533	0.8
408.13501	1.4
409.13974	0.6
410.10532	0.5
410.15109	3.9
411.12274	0.9
412.12921	4.6
413.13559	1.4
414.18726	3.3
415.15256	0.5
416.16153	5.7
417.16980	1.7
424.12552	0.5
425.13678	1.5
426.14496	12.9
427.14999	1.2
428.16138	11.1
430.13901	2.0
431.14536	0.7
436.12686	1.2
442.18118	7.2
443.14700	2.7
444.15527	10.0
445.16379	1.2
454.13989	39.5
455.14175	1.1
458.17145	1.4
460.18976	10.1
472.15076	100.0
473.15247	1.5
474.16562	2.2
476.18170	1.3
486.17041	2.2
490.15833	0.5
492.17697	6.2
504.17615	35.5
522.18768	5.9
563.23248	0.6
567.22839	0.8
581.24188	1.0
591.22485	6.1
595.26001	0.6
609.23431	28.9
610.23865	0.8
613.26788	2.9
623.24963	19.4
624.24884	0.7
627.24628	0.9
641.26074	98.9
642.25818	2.2
659.26624	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91228	0.4
55.01884	0.5
55.05498	0.4
56.05043	0.6
58.63223	0.3
58.71793	0.3
60.79607	0.4
67.05502	1.3
67.31723	0.5
69.07040	0.5
70.06596	4.1
71.51540	0.6
71.54414	0.4
72.08164	0.4
79.05475	1.4
80.05009	0.5
81.03403	0.4
81.07046	1.4
83.04959	0.7
84.04520	0.7
84.08157	3.0
85.02895	0.5
86.09714	1.7
91.05470	1.2
93.07050	0.9
94.06577	2.1
95.04960	1.1
95.08594	0.7
97.06536	0.3
98.09680	0.6
105.07024	1.1
106.06581	0.8
107.07346	4.8
107.08608	0.5
108.08138	1.5
109.02931	0.5
109.10213	0.8
110.06030	0.6
113.95313	0.5
119.08620	0.6
120.04484	0.5
120.08142	2.3
121.06541	1.0
121.08890	1.3
121.10100	0.6
122.06047	1.5
122.09674	10.7
122.81094	0.4
125.66808	0.4
129.10242	0.8
133.10150	0.6
134.00842	0.4
135.06815	1.1
135.07948	0.4
136.07581	1.0
136.11244	1.5
137.09714	0.3
140.07111	0.6
146.05945	0.4
148.07585	1.0
149.08339	0.5
150.09146	26.5
152.10667	0.4
160.07605	0.7
164.06972	0.5
165.09018	0.4
165.11526	0.9
166.12283	1.1
176.10715	0.5
178.05116	0.6
188.10791	0.4
210.09329	0.4
211.08743	0.7
220.10010	0.6
221.10773	1.4
223.08681	0.5
223.12271	1.0
225.10204	0.9
233.10858	0.6
234.07802	0.6
235.08676	3.9
236.09453	2.4
237.10213	5.1
238.11092	1.0
239.11775	1.4
247.08640	7.2
248.09413	4.5
249.10257	14.1
250.11024	4.7
251.08058	1.0
251.11777	4.6
252.12604	0.9
253.09753	1.3
253.13495	0.7
254.10312	0.5
261.10214	4.6
262.11078	1.0
263.08224	2.5
263.11774	2.9
264.08945	3.1
264.12692	0.4
265.09769	6.2
265.13446	1.4
266.10492	1.9
267.11264	2.2
268.12143	0.4
271.14484	1.0
273.10269	0.6
275.08240	1.5
276.08957	6.0
277.09726	14.8
278.10507	7.3
279.08301	0.5
279.11267	11.4
280.12125	1.4
281.09274	1.2
281.12881	2.0
282.54642	0.4
283.10876	0.7
287.05460	0.4
289.06226	0.5
289.09650	2.7
290.10562	1.0
291.07742	1.5
291.11322	5.4
292.08572	0.7
292.12036	1.4
293.09262	4.6
293.12872	8.6
294.10114	1.7
295.10730	1.8
295.14255	0.4
296.11633	0.8
297.12607	0.8
301.12115	0.5
304.08417	3.3
305.09247	6.6
306.09973	2.7
307.10776	9.2
308.11554	0.8
309.08820	1.1
309.12213	5.5
310.13168	0.5
311.10529	0.8
311.14047	0.9
312.11368	0.7
313.12201	0.6
314.12924	1.2
315.13818	1.1
316.14429	0.5
317.09167	0.5
319.07477	0.5
319.10770	14.7
319.14618	0.7
320.11282	0.5
321.08707	1.4
321.12421	6.6
322.13165	1.4
323.10541	1.9
323.13983	0.6
324.11264	0.7
324.15027	0.7
325.12137	1.5
326.12912	1.7
326.16446	0.5
327.13538	2.9
328.11130	0.8
328.14529	2.4
329.11655	1.0
329.15271	1.0
330.16299	0.5
332.07956	1.4
333.08725	4.8
335.10272	2.2
336.10977	0.6
337.08441	0.6
337.12067	2.6
338.12842	1.5
339.09531	0.8
339.13467	12.8
340.11127	1.2
340.14529	1.0
341.11807	1.3
342.12445	3.0
342.16031	1.2
343.13174	1.3
344.13943	1.3
347.10220	5.3
350.09094	0.6
351.09900	3.5
351.13824	0.5
352.10834	0.9
352.14560	2.3
353.11249	3.1
354.12314	5.2
354.16003	0.8
355.13165	2.9
356.13925	5.3
356.17709	0.4
357.14859	2.4
358.15317	0.9
365.11310	24.8
366.12054	4.0
367.13150	1.7
368.10403	1.6
368.14059	1.3
369.10849	0.8
369.15146	0.9
370.11411	2.2
370.15878	3.6
371.16583	1.0
372.13120	0.7
372.17175	1.8
373.14142	0.5
374.14767	0.5
380.13889	6.4
381.11581	0.6
382.11612	5.7
382.15768	1.7
383.12506	3.5
384.13351	6.3
384.17413	1.6
385.14233	1.9
385.18365	0.9
386.14804	1.1
386.18729	1.2
388.16797	0.6
395.12650	0.5
396.13162	2.3
396.17856	0.6
397.14075	2.2
398.14926	12.8
398.19870	0.7
399.15912	3.4
400.12637	0.5
400.16623	4.8
400.20602	0.5
402.14423	0.7
408.13507	1.3
410.15366	2.6
411.12256	0.8
412.12683	5.8
413.17786	0.7
414.13736	0.6
414.18719	0.7
416.15750	2.7
424.12695	0.6
425.13828	0.9
426.14438	15.9
427.14520	0.7
428.15518	6.6
430.13733	1.2
440.19949	0.9
442.18234	2.0
444.15317	4.0
446.21304	2.6
454.13965	22.8
455.14420	0.9
456.19086	1.4
458.21222	3.3
459.18109	1.6
460.13855	0.7
460.18790	1.5
461.28079	0.4
466.17514	0.6
470.17349	0.6
472.15039	50.0
473.15149	0.5
474.20557	4.7
476.22043	1.7
477.22388	1.0
484.18896	3.9
488.18497	0.9
490.16150	2.2
492.17819	1.2
502.19733	100.0
503.20419	14.1
503.27832	0.6
504.16727	3.8
520.20837	18.5
521.21851	0.4
522.18811	0.6
545.21332	0.5
581.24023	0.9
591.22290	3.2
609.23444	46.9
610.23322	1.1
613.26453	0.9
623.24768	3.7
627.24481	11.3
641.26074	18.3
642.26300	0.8
659.26929	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	658.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05275	3.1
55.05518	46.0
57.03447	13.2
57.07083	19.7
60.22533	2.4
65.03932	4.0
67.05512	58.9
69.07075	55.6
69.30554	3.6
69.30957	14.5
71.01353	2.2
71.04999	4.3
71.08640	25.1
79.05505	27.7
81.03399	3.1
81.07061	50.3
83.04974	5.2
83.08627	46.7
83.09114	2.2
85.06554	3.5
85.10186	7.6
86.82560	2.3
89.06052	12.6
90.97556	2.0
91.05489	15.6
93.07050	30.3
95.04959	4.3
95.08614	26.3
97.06551	7.8
97.10179	41.7
99.08109	6.3
105.07034	11.7
107.08615	23.1
109.06528	2.6
109.10162	34.7
111.08096	4.7
111.11717	6.2
112.41312	2.1
117.07042	3.6
119.08580	13.6
121.10138	13.0
123.11748	3.4
125.09634	10.4
131.08586	6.2
133.08586	8.4
133.10136	10.0
135.08017	2.4
135.11674	11.4
137.09651	2.7
139.11212	2.6
147.11702	4.6
149.13293	13.0
151.11246	3.7
159.11700	3.3
161.13173	2.2
163.11145	2.9
165.12723	3.2
166.15289	2.3
173.11754	7.8
179.14330	2.3
189.11227	2.9
193.83368	2.2
195.13873	3.8
227.12753	19.6
229.14368	30.4
231.43439	2.3
256.26434	2.3
269.17487	27.8
277.21600	9.1
295.22784	3.7
311.22171	4.7
311.25833	100.0
313.27338	5.0
351.25140	12.5
369.26474	10.2
409.33105	6.4
459.28006	3.7
465.35944	28.4
481.35223	5.9
489.39337	2.5
505.38898	85.2
587.39740	2.3
587.46802	27.5
605.48206	16.3
658.42834	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	658.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01869	0.7
55.05507	3.7
55.16489	0.2
57.03435	1.7
57.07065	0.4
62.08470	0.2
66.04716	0.3
67.05504	11.8
68.05031	0.3
68.05853	0.4
69.03423	0.6
69.07070	3.1
70.06571	0.2
71.04974	0.4
71.52578	0.4
77.03913	0.3
79.05494	7.6
81.03455	0.6
81.07056	12.0
82.06583	0.4
82.07369	0.2
83.04990	0.6
83.08620	1.5
84.08138	0.3
86.09666	0.3
86.89943	0.3
91.05484	5.6
92.05820	0.4
93.05797	0.6
93.07043	8.3
94.02952	0.4
94.06563	0.7
94.07382	0.3
95.04970	1.1
95.08605	7.7
96.04481	1.5
96.08102	0.3
97.06524	0.9
97.10145	0.6
98.06058	0.8
99.08086	0.3
105.07032	3.4
106.06552	1.3
107.04954	0.6
107.08593	4.1
108.08121	4.0
108.08851	0.2
109.06513	3.7
109.10157	3.5
110.06044	2.8
110.09766	0.2
110.47970	0.2
111.08067	0.4
112.03964	0.4
114.17399	0.3
117.07013	1.0
118.06535	0.5
119.08591	3.0
120.08113	1.1
120.08898	0.3
121.06506	1.1
121.07372	0.2
121.10131	2.4
122.06026	5.2
123.08053	0.5
123.11683	0.9
124.03945	0.5
124.07600	1.7
125.00033	0.4
129.07001	0.8
131.08548	2.1
132.08058	0.3
133.08679	0.3
133.10141	2.0
134.06015	5.5
134.09634	0.5
135.08057	0.6
135.11708	1.9
136.07578	100.0
137.08328	0.7
138.09146	1.1
143.08548	0.4
145.06511	0.4
145.10107	1.9
146.06032	1.8
146.07056	0.3
146.09659	0.3
147.08081	0.9
147.11690	1.4
148.07552	3.5
148.11162	0.6
149.09647	0.3
149.13263	0.7
150.05504	0.8
150.09145	1.4
152.07072	0.9
152.10689	0.5
159.08087	0.7
159.11708	0.9
160.07588	1.2
161.08336	0.3
161.09665	0.7
161.13237	0.7
162.05501	13.2
162.09129	4.5
163.11142	0.5
163.14839	0.3
164.07030	0.4
164.10704	0.9
169.10240	0.5
171.11595	0.3
173.09859	0.3
173.13286	1.0
174.09059	0.4
175.14835	0.3
176.07083	0.5
176.10677	2.3
178.12305	0.8
180.06596	0.4
183.38235	0.2
184.07361	0.8
186.48428	0.3
187.14827	0.8
189.11313	0.3
189.16360	0.7
194.11742	0.4
197.13194	0.3
199.14854	0.4
204.17526	0.8
214.15901	0.5
218.15414	0.5
232.16965	8.9
234.18565	2.9
242.15392	3.7
243.13782	0.5
244.16975	7.7
260.16458	20.8
261.22012	0.4
262.18015	15.3
270.14890	0.4
272.20178	0.4
278.17508	28.4
280.19064	2.8
288.15967	6.0
288.19272	0.2
300.19678	0.7
306.16980	39.7
307.17383	0.4
318.20746	1.2
324.18027	8.5
335.25803	19.1
336.21704	8.9
336.25739	0.4
362.19604	1.4
380.20691	19.6
398.21765	4.2
446.43796	0.3
492.84753	0.3
504.38324	1.4
578.41699	0.9
596.43005	4.2
622.41022	0.6
640.42023	9.1
658.41962	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.3
52.10534	0.2
53.03942	0.9
55.01873	0.5
55.05513	2.8
57.03441	1.8
66.11184	0.2
67.05508	8.8
68.05824	0.3
69.03426	0.4
69.07062	2.4
69.87272	0.4
69.87688	0.5
71.04981	0.2
77.03915	0.3
79.05495	7.3
80.05016	0.4
80.05824	0.3
81.07056	10.4
82.07417	0.4
83.04984	0.5
83.08619	0.9
85.06540	0.3
90.43813	0.2
91.05484	5.7
92.05801	0.2
93.05800	0.7
93.07043	7.7
94.02897	0.2
94.06567	0.5
95.05004	1.3
95.08609	6.3
96.04488	2.0
96.08126	0.5
97.06559	0.5
97.10154	0.4
98.06042	0.8
103.05467	0.2
105.04531	0.5
105.07031	3.5
106.06580	0.6
107.04961	0.3
107.08588	3.4
108.08128	4.2
109.06516	4.4
109.10152	1.9
110.06054	3.1
110.09697	0.4
111.08107	0.2
115.05396	0.2
117.07044	1.2
119.04904	0.3
119.08588	2.3
120.08105	0.8
121.06516	1.2
121.10159	2.1
122.06038	4.4
122.09689	0.5
123.06842	0.3
123.08077	0.7
123.11735	0.7
124.07600	1.8
128.06271	0.2
129.06992	0.4
131.08585	1.7
133.06548	0.3
133.10138	1.9
134.06021	4.6
134.09666	1.5
135.08057	0.5
135.11697	1.5
136.07581	100.0
137.05989	0.7
137.08290	1.2
137.09471	0.2
138.09146	1.3
143.08586	0.6
145.06512	0.4
145.10114	1.5
146.06013	1.5
147.06883	0.2
147.08081	0.6
147.11697	0.8
148.07558	3.5
148.11171	0.3
149.12169	0.2
149.13249	1.0
150.05493	0.6
150.09148	1.6
152.07076	0.6
152.10690	0.4
155.08572	0.3
157.10136	0.4
159.08058	0.5
159.11693	0.8
160.07579	1.0
161.08383	0.4
161.09634	0.3
161.13217	0.3
162.05505	13.2
162.09123	4.2
163.11154	0.7
164.07086	0.5
164.10721	0.9
169.10233	0.3
171.11665	0.4
173.09718	0.2
173.11917	0.3
173.13266	1.1
174.09180	0.5
175.14815	0.4
176.07114	0.5
176.10690	2.8
177.12769	0.2
178.12242	0.5
180.06555	0.4
184.07364	0.2
187.14757	0.6
190.08551	0.2
190.12285	0.5
197.13275	0.4
199.11218	0.3
200.10742	0.2
201.12828	0.3
204.17506	0.5
214.15924	0.6
215.14418	0.4
216.13843	0.3
216.17522	0.3
218.15512	0.2
232.16982	8.8
234.18498	3.6
235.13243	0.6
236.13698	0.4
242.15385	3.1
243.13776	0.4
243.21204	0.2
244.16994	9.4
249.93581	0.2
260.16473	18.5
261.22131	0.4
262.18015	15.6
272.20193	0.3
277.14380	0.6
278.17511	31.9
280.19116	2.8
288.12839	0.3
288.15942	5.1
288.18912	0.2
290.21320	0.3
300.19684	0.8
305.13809	0.5
306.16992	36.3
307.17221	0.5
308.18777	0.2
318.20660	1.6
323.15054	0.3
324.18060	8.7
335.25815	12.5
336.21704	9.1
336.26068	0.6
350.16483	0.2
361.16629	0.3
362.19717	1.1
379.17755	0.5
380.20700	17.3
381.20923	0.4
398.21771	0.9
451.71771	0.2
504.38141	0.5
522.39948	0.2
544.55298	0.2
578.42261	0.4
596.43231	2.7
612.39716	0.4
640.42023	7.9
658.41040	1.6
676.24854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01860	3.6
55.05503	10.5
55.45548	2.1
57.03434	6.2
61.02922	10.8
65.67017	2.4
67.05508	28.2
69.03420	5.3
69.07072	11.4
69.07395	2.5
70.06598	16.9
71.04999	2.7
71.51710	3.8
72.08141	4.5
72.22152	2.4
73.02897	2.7
75.56208	2.2
79.05499	20.0
81.03407	4.5
81.07059	25.2
83.04991	4.5
83.08598	8.8
84.04483	3.5
84.08138	10.4
85.02907	13.4
86.09702	11.7
91.03946	6.6
91.04996	2.5
91.05493	23.0
93.07050	21.3
95.04966	3.2
95.08620	15.4
97.02892	7.2
97.06495	3.3
97.10193	5.6
103.05471	2.2
105.07037	20.8
107.04951	7.8
107.08591	9.9
109.10151	8.0
109.28632	2.2
110.07174	3.4
117.07034	15.9
119.08572	10.5
121.06509	7.4
121.10131	3.9
122.25020	2.3
123.08042	4.7
127.03890	3.3
128.06232	4.3
129.07021	17.1
131.08586	24.8
133.06511	5.5
133.10149	9.0
135.08098	5.4
135.11659	4.6
139.11058	2.5
141.07011	5.7
142.07747	3.6
143.08559	16.2
145.06468	4.4
145.10136	16.8
147.08055	4.5
147.11708	3.6
149.09688	3.6
155.08609	11.6
157.10126	8.2
159.08054	3.8
159.11679	6.5
161.05957	2.6
161.09671	2.3
167.08537	4.1
169.10110	9.8
171.07996	3.2
171.11639	6.5
172.07362	2.4
173.09615	4.2
173.13235	3.2
181.10117	7.4
182.10985	3.0
183.08174	2.6
183.11670	8.7
185.13307	6.1
193.10257	3.2
193.12170	2.1
195.11667	6.4
197.13318	3.4
199.30450	2.4
201.12624	2.4
209.13263	4.1
213.12811	3.4
213.16373	2.7
221.13219	5.9
234.71785	2.6
312.45407	2.3
333.22168	3.5
351.23123	17.3
369.24185	18.3
387.25259	9.9
405.26501	2.2
425.26663	6.4
443.21951	5.1
443.27982	100.0
461.29037	95.3
517.35260	2.6
605.33557	3.8
623.34265	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	658.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
53.87025	0.5
55.01857	1.4
55.05506	2.7
56.58315	0.5
57.03438	4.1
57.07074	6.3
58.06591	1.8
61.02927	15.0
63.14847	0.5
65.03934	1.2
67.05504	8.6
69.03432	5.4
69.07061	2.4
69.33112	2.2
69.33542	2.1
70.06593	16.8
71.01349	0.8
71.04980	1.5
71.08633	2.5
72.08171	0.6
73.02914	5.5
79.05497	6.1
81.03436	3.3
81.07058	9.5
83.04967	1.3
83.08619	1.6
84.08150	1.0
85.02909	16.1
85.10178	1.3
86.09694	0.6
87.04484	0.8
88.07095	1.1
88.07632	20.0
91.03954	9.1
91.05484	4.4
93.07050	6.3
95.04958	0.9
95.08610	5.8
97.02897	14.5
97.06503	0.8
97.10154	0.8
99.04441	2.9
101.02359	1.4
102.09180	16.1
103.03946	1.4
105.07041	3.4
107.08579	3.4
109.02857	2.9
109.06527	0.8
109.10166	1.7
115.03919	1.0
117.07050	1.1
119.08559	2.8
121.10150	2.8
123.08128	0.8
123.11731	1.1
125.09691	0.5
127.03924	5.8
129.05481	1.5
131.08595	2.0
133.10141	2.1
135.11717	2.2
145.04907	3.6
145.10123	1.3
147.04430	0.8
147.11716	1.7
149.02350	32.3
149.03407	1.7
149.13243	1.3
159.11682	1.8
161.13229	1.1
163.06047	1.3
163.07538	0.6
163.14830	1.0
171.11673	0.8
173.13261	1.4
175.03931	1.3
177.05490	1.2
183.06534	1.8
185.09669	0.5
187.14819	0.7
193.04968	38.6
194.05267	0.6
199.91983	0.6
219.06601	1.2
219.08586	0.6
219.78218	0.5
237.07584	11.0
243.21068	0.9
256.26355	42.6
259.20508	0.9
261.22205	2.8
269.04556	1.1
297.03958	2.0
313.07150	2.3
335.25787	13.6
341.06543	8.6
359.07587	6.7
369.24234	1.0
377.27264	0.7
385.09164	17.3
386.08936	0.7
429.11816	24.5
443.27884	0.9
461.28836	1.2
479.30219	1.4
497.30786	0.6
640.33875	1.0
658.35840	100.0
659.36328	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	658.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
53.67333	0.3
55.05494	0.7
57.03428	0.3
57.07080	7.4
58.06600	2.2
65.03923	0.7
67.05489	0.8
68.05013	0.6
69.03407	0.5
69.07067	0.6
70.06596	18.2
71.02235	0.4
71.08643	2.3
72.08150	0.6
74.06071	0.3
75.07370	0.2
76.54973	0.2
79.05489	0.7
81.07059	0.6
83.04996	0.3
83.08617	0.3
84.08128	0.7
85.02898	0.3
85.10159	0.7
88.07636	19.9
91.05474	0.5
93.07043	0.6
95.08622	0.3
102.09188	16.3
103.05472	0.3
105.03382	0.4
105.07039	0.5
107.08566	0.3
109.10127	0.3
119.08559	0.5
121.02902	0.3
127.03871	0.2
131.04933	0.6
131.08627	0.4
133.10081	0.3
147.04408	0.6
149.02353	35.2
149.13171	0.2
175.03922	1.1
177.05516	1.0
178.58679	0.2
191.06929	0.3
193.04976	42.8
194.05339	0.2
212.23764	0.5
219.06537	1.3
225.05482	0.8
237.07587	12.3
241.42143	0.2
256.26367	44.4
257.26648	0.6
269.04453	1.4
270.89108	0.3
297.03964	2.4
300.29108	0.4
313.07120	1.9
341.06573	9.0
343.08267	0.5
359.07599	6.1
385.09195	20.5
403.10379	0.4
429.11850	27.6
430.11868	0.4
589.57068	0.3
640.34943	1.0
658.35883	100.0
659.36151	2.7
680.42419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	9.1
55.01871	7.0
55.05513	72.6
57.03439	22.4
57.07061	10.0
59.04988	2.7
65.03935	4.9
67.05505	83.8
69.03418	5.9
69.07067	26.0
71.05005	2.8
71.08620	2.8
71.52971	3.1
71.56305	2.4
79.05494	75.0
81.03412	3.8
81.07058	94.5
81.31207	2.3
83.04979	7.2
83.08627	32.2
85.10210	4.1
87.04459	3.4
89.06045	12.8
91.05483	37.0
93.07040	58.0
95.04986	7.4
95.08608	51.1
97.06509	5.1
97.10178	44.8
105.07041	32.3
107.04962	5.5
107.08596	47.0
109.06506	6.9
109.10155	28.6
117.07052	12.6
119.08611	24.7
119.23034	2.7
121.06507	3.9
121.10146	29.7
123.08061	3.8
123.11709	11.2
124.64001	2.7
125.08778	3.0
125.09636	35.0
129.07025	4.1
131.08551	22.5
133.08612	2.8
133.10124	16.9
134.06030	2.9
135.08025	4.8
135.11700	15.6
137.09578	3.9
137.13197	3.5
139.30164	2.3
143.08542	5.5
143.10675	8.5
145.10132	11.5
147.11684	12.5
149.09657	5.6
149.13254	11.0
157.10179	3.5
159.11711	10.3
161.13228	6.5
163.14888	6.2
169.10056	3.3
171.11720	4.0
173.13249	6.5
175.14810	5.1
185.13158	4.9
185.51367	2.5
186.35736	2.7
187.14799	3.5
189.16316	3.1
199.13281	5.3
215.12837	4.2
217.14360	96.1
221.13008	2.5
226.18494	2.6
243.21111	8.5
252.76842	2.9
253.14392	3.2
255.17351	2.9
259.20667	3.9
261.22159	37.0
273.18558	4.3
275.20023	6.3
291.19608	3.6
317.24564	3.0
335.25809	100.0
337.27444	4.0
349.23987	3.9
353.26791	3.6
385.30997	5.6
403.32141	17.9
477.35779	73.1
621.41602	3.3
639.41473	7.6
657.42206	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	656.51
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39757	2.8
53.03943	3.5
55.01868	7.6
55.05519	30.5
56.30288	2.5
57.03439	19.9
57.06837	3.4
57.07080	41.6
58.17146	2.4
65.03921	2.9
67.05187	3.9
67.05508	61.7
67.39143	2.5
69.03427	3.6
69.06740	3.2
69.07076	48.2
69.84267	5.2
69.84662	7.9
71.04993	13.1
71.08636	36.8
73.02900	3.0
79.05504	43.5
81.03429	17.5
81.07065	69.7
83.04974	11.4
83.08625	26.2
84.08101	2.6
85.06555	4.1
85.10187	17.6
89.06028	2.6
91.05482	35.1
93.07055	40.3
95.04988	16.9
95.08615	49.3
97.06535	48.9
97.10205	13.6
97.10698	2.7
98.21402	5.1
99.08157	2.8
102.94094	2.7
105.07030	25.5
107.04980	8.4
107.08598	22.2
107.31351	2.9
109.06523	17.8
109.10156	25.8
111.08085	5.5
113.06010	5.1
115.07592	21.3
117.07026	18.2
119.08575	22.4
121.06483	5.2
121.10112	9.8
123.08088	6.7
123.11739	5.1
125.09667	4.2
129.07013	5.3
131.08572	15.5
133.10126	12.4
135.08078	8.3
135.11700	6.4
143.08557	4.8
145.10085	12.1
147.08040	7.2
147.11650	5.0
149.09612	9.0
149.13268	9.4
151.11205	3.4
157.10129	6.7
159.11694	7.9
161.09642	5.3
163.11179	3.9
171.11626	3.9
173.09740	2.9
173.11667	3.2
175.11191	6.6
177.12743	7.8
185.13356	2.7
189.12637	3.3
193.12248	4.0
195.13821	3.0
199.06517	2.8
217.15964	7.3
221.15457	3.3
229.14314	8.3
233.15327	4.1
239.23740	5.9
245.18851	3.6
251.16519	3.7
253.14455	4.9
267.15976	8.5
269.17490	7.6
273.18494	28.1
279.15820	3.0
285.16888	4.5
291.19672	20.1
311.25879	11.4
313.27368	100.0
347.22147	9.3
358.23315	4.1
359.23169	3.4
365.23145	10.4
443.62521	2.8
467.37408	5.5
493.38596	4.6
505.38971	6.4
507.40482	48.6
521.37976	10.5
585.44788	4.3
603.46057	19.6
621.45984	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	656.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41555	1.0
55.01862	4.1
55.05517	6.8
57.03428	3.3
57.07082	14.4
66.24837	1.0
67.05180	1.5
67.05510	20.1
69.07072	5.6
71.08638	11.4
71.51978	1.3
71.52348	1.1
79.05505	6.2
81.07062	28.8
83.04987	3.2
83.08608	6.2
85.10180	6.6
89.06020	1.6
91.05486	2.4
93.07047	3.4
95.08617	12.2
97.10181	2.2
105.07048	2.3
107.08604	4.8
109.06525	8.5
109.10175	16.7
111.04456	15.6
111.08035	1.0
119.08566	4.7
121.10145	4.6
123.08116	1.4
123.11709	4.0
123.69281	1.1
125.05965	3.8
131.08530	1.6
133.10121	4.7
135.07997	2.3
135.11728	3.5
137.05989	100.0
137.13242	2.0
145.10092	1.7
147.11607	4.9
149.09630	4.2
149.13243	1.4
151.07535	3.5
157.10092	1.4
161.09654	6.2
161.13274	3.5
163.11182	3.8
163.14738	1.4
165.09106	2.2
173.11761	1.7
175.11198	5.1
175.14787	1.6
178.47290	1.4
179.10637	2.1
193.12225	2.0
199.76749	1.0
203.17964	5.9
210.69427	1.0
213.16406	3.3
221.19092	1.6
223.14980	1.1
231.17474	8.0
238.17163	1.1
241.15912	1.5
249.18381	7.4
277.18011	40.5
295.19046	6.0
313.23734	1.8
313.27368	31.2
316.93124	1.0
351.21661	19.8
383.24271	14.7
410.83566	1.1
418.43536	1.0
467.37320	14.1
534.51501	1.1
546.50909	1.1
589.44629	83.4
590.44403	1.5
607.45526	1.8
621.47162	14.0
638.58984	1.8
656.50079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83109	2.3
53.03944	8.5
54.29750	2.2
55.01862	7.1
55.05514	32.9
57.03436	11.6
57.07071	4.2
59.04990	4.3
65.03931	5.6
67.01856	2.2
67.05507	91.9
69.03410	6.3
69.07074	18.5
69.42456	14.0
71.05000	3.6
79.05497	81.8
80.05005	4.0
81.03406	5.8
81.07061	67.5
83.04980	6.5
83.08617	14.8
85.02895	3.4
85.06548	4.2
91.05485	50.8
93.07051	59.9
94.02944	5.2
94.06567	5.5
95.04981	12.1
95.08614	47.1
96.04486	10.3
96.08086	2.4
97.06517	5.0
97.10175	11.0
97.67777	2.0
98.21620	2.5
99.08144	2.8
103.05488	2.3
105.05806	3.0
105.07030	42.0
106.06547	39.6
107.04991	4.9
107.07362	2.7
107.08598	37.7
108.08150	4.3
109.06516	5.3
109.10166	37.9
110.06052	8.2
111.08081	6.4
112.03954	10.7
115.05508	3.8
117.05746	2.2
117.07025	21.9
118.06527	3.3
119.08583	36.3
120.08109	4.7
121.06523	2.9
121.10159	19.8
122.06033	31.1
123.08081	5.2
123.11672	3.5
124.03960	27.7
125.09635	6.3
129.05522	2.8
129.07034	12.1
131.08580	23.0
132.08095	7.5
132.78172	2.4
133.10146	25.3
134.06021	100.0
135.06792	5.2
135.08022	7.6
135.11697	11.2
136.03981	2.6
136.07590	45.1
137.09636	4.2
138.05518	20.2
138.09129	3.4
141.07034	3.1
143.07518	2.1
143.08549	13.0
144.08057	3.2
145.10098	17.5
146.06024	17.9
147.08003	2.5
147.11687	18.0
148.07565	8.0
149.09615	3.7
149.13235	5.4
150.05499	17.2
151.11166	2.0
152.07106	16.0
153.09079	5.3
153.12790	2.5
155.08504	7.3
157.10130	12.0
159.11691	18.8
160.03897	2.9
160.07581	9.2
161.13268	7.0
162.05504	3.4
162.09184	6.0
163.11182	3.3
164.07101	5.8
165.06984	2.7
166.08603	4.6
169.10135	5.5
171.10321	3.3
171.11694	8.7
172.07596	9.5
173.11748	7.2
173.13278	12.1
174.09140	5.2
175.11182	5.5
175.14761	2.4
176.06972	3.3
176.10768	3.0
177.12785	6.1
180.06636	4.7
181.10173	3.3
183.11726	4.0
184.07632	3.1
185.13322	6.7
186.09196	3.2
186.98225	2.7
187.14835	4.4
188.10715	3.6
193.12202	3.2
197.13350	3.1
198.09108	4.4
199.14821	4.0
200.10782	3.7
201.12715	2.6
209.13295	3.4
211.09950	2.6
211.14893	3.3
212.10889	2.4
227.12790	11.3
229.14304	11.3
230.15405	3.0
241.19551	4.0
246.14946	3.8
254.15515	4.4
258.15094	2.4
259.20560	6.8
261.22137	5.9
270.14868	4.8
272.16406	3.0
275.20053	3.5
277.21634	4.2
285.22028	4.7
286.14288	6.9
288.15985	3.2
304.15350	7.5
322.16385	3.2
333.24203	5.3
335.25790	8.5
366.27756	3.3
378.19415	2.4
380.20746	4.8
382.11420	2.6
392.25851	13.7
394.27176	11.9
404.20334	2.7
410.26953	7.0
435.32864	3.0
471.34827	3.8
484.30777	4.0
489.36136	4.7
502.37024	3.1
527.37061	2.6
622.40906	27.5
628.41626	7.1
638.40479	14.8
639.41205	2.8
656.41492	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.0
53.03944	7.7
53.57508	1.8
55.01870	5.7
55.05519	30.8
57.03428	9.6
57.07071	5.7
65.03938	5.0
67.05509	81.9
68.05043	2.1
68.05864	2.6
68.43172	2.1
69.03432	4.4
69.07067	18.8
69.73104	3.6
69.73513	8.8
71.04981	2.1
79.05495	72.9
80.05025	4.4
81.03420	7.4
81.07057	54.6
83.04986	4.6
83.08608	12.1
85.02934	2.2
85.06535	4.5
91.05486	45.7
93.07044	47.2
94.02953	3.3
94.06583	5.2
95.04966	9.7
95.08608	40.0
96.04502	9.6
97.06540	4.6
97.10177	7.3
103.05487	3.8
105.04529	2.5
105.07034	39.0
106.06563	40.9
107.04961	4.4
107.07327	3.8
107.08595	31.3
108.08131	5.2
109.06534	5.1
109.10162	42.9
110.06055	6.3
111.08083	9.1
112.03966	7.6
115.05460	3.6
117.07036	16.0
118.06579	2.3
119.08585	26.3
120.08088	4.0
121.06502	4.2
121.10155	15.0
122.06037	22.6
123.08069	5.3
123.11729	5.2
124.03952	20.8
124.07575	4.4
125.09662	9.8
128.06242	2.7
129.07033	10.7
131.08557	26.1
132.08127	3.8
133.06438	3.1
133.10161	22.0
134.06018	100.0
135.06807	4.5
135.08049	6.3
135.11711	7.5
136.07590	51.0
137.05969	2.8
137.09615	5.2
138.05522	18.5
142.07729	2.8
143.08574	11.1
144.08092	4.2
145.10143	22.3
146.05983	21.1
147.11678	14.2
148.07556	7.3
149.13281	7.8
150.05501	12.3
150.09084	3.2
152.07152	12.6
153.09116	3.1
155.08588	8.2
157.08907	3.2
157.10138	10.2
159.11693	17.3
160.07584	11.4
161.09760	3.0
161.13274	8.2
162.05499	2.6
163.11188	2.4
163.14816	2.8
164.07045	5.0
169.10150	4.3
171.11697	8.1
172.07608	7.6
173.11758	6.0
173.13297	9.1
174.09169	7.7
175.11230	3.2
175.14825	6.0
177.12782	5.4
179.10681	2.2
180.06587	3.5
181.10135	3.9
183.11717	3.0
184.07597	4.1
185.13284	7.2
186.09123	3.0
187.14822	5.9
188.10710	3.8
189.11156	3.9
197.13280	3.4
199.13129	2.4
199.14850	2.8
201.16458	3.0
210.08934	2.1
211.15128	2.7
212.10686	2.6
227.12794	6.6
229.14319	10.4
230.15381	2.7
240.13820	3.5
241.19453	4.8
252.13858	3.2
259.20551	9.9
261.22064	4.8
270.14929	5.3
272.16458	2.6
273.18451	3.4
275.20065	3.8
277.21552	4.4
285.21918	4.1
286.14438	4.9
288.16055	3.5
304.15298	3.5
309.21579	2.2
314.27640	2.8
333.24335	7.0
335.25839	7.4
364.21725	2.4
366.27875	2.5
380.20621	3.4
384.80478	2.3
392.25790	9.6
394.27603	13.6
410.26956	7.1
412.28424	3.5
422.26752	3.1
435.32379	4.1
453.33746	3.7
460.18771	3.2
461.19028	4.2
468.31271	2.8
489.35748	3.1
502.36966	3.1
527.37299	4.9
528.35022	3.6
604.39874	5.1
620.39081	5.8
622.40918	24.9
624.25226	3.3
628.41724	7.5
638.40863	20.0
642.41040	2.3
656.29047	2.9
656.41644	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	655.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79378	0.4
55.05511	5.1
57.03437	3.5
57.07081	38.6
61.02660	0.6
61.02931	8.2
67.05509	10.4
69.03417	1.3
69.07074	7.0
70.21019	0.9
70.21403	1.0
71.04973	1.1
71.08638	29.1
73.02921	3.4
75.04485	1.4
79.05483	0.9
81.03400	0.7
81.06597	0.8
81.07065	14.7
83.08629	9.2
85.02906	9.4
85.10187	16.6
89.06042	0.7
91.03961	8.2
91.05492	0.7
93.07054	0.6
95.08614	21.5
97.02894	5.3
97.10191	6.1
99.04438	0.6
99.11717	1.1
101.02293	0.5
107.08561	0.8
109.02923	0.6
109.09479	0.7
109.10172	10.1
111.11720	1.6
114.61852	0.5
115.03951	0.5
123.11724	4.5
127.03893	2.3
129.07014	0.7
131.08633	0.8
137.13289	1.2
145.04991	3.7
163.06041	5.3
165.16347	1.0
168.73811	0.6
170.28047	0.5
183.06461	0.5
184.87465	0.5
194.85634	0.5
211.27243	0.5
221.22641	0.9
239.23721	26.1
247.97571	0.4
257.24774	4.6
262.34299	0.5
273.18689	0.7
291.19440	0.9
293.12943	1.2
311.13849	0.6
313.27386	100.0
314.27597	1.0
331.28433	20.5
365.23273	0.8
457.31894	0.7
475.32870	2.7
655.41803	0.7
666.76892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98193	0.4
55.05487	0.8
57.35724	0.5
67.05479	1.7
69.07051	1.3
69.15931	0.5
71.53094	0.6
75.04465	0.5
79.05474	1.3
81.03386	0.6
81.07064	2.3
83.08605	0.6
91.05444	1.7
93.07000	1.4
95.08607	0.8
99.58511	0.5
105.06990	1.2
107.04929	0.6
107.08571	0.7
109.10156	0.6
117.07082	0.5
119.08559	0.9
121.10128	0.5
125.09573	0.4
129.07033	0.5
131.08519	0.6
147.11603	0.5
175.11128	0.5
178.42010	0.4
227.12659	0.5
270.97449	0.4
273.18573	0.7
291.19534	1.6
299.34134	0.4
347.22403	0.5
351.86508	0.5
375.29697	0.6
391.18842	0.8
392.19781	0.5
393.20688	0.6
405.16879	1.6
407.22403	4.1
419.18228	2.5
420.19214	1.1
421.19763	1.0
432.19382	0.9
433.20508	5.0
434.21072	4.7
435.21820	7.4
436.22421	0.6
447.17175	1.0
447.21997	1.6
448.18381	0.9
449.19647	1.5
461.19623	1.7
462.20367	4.4
463.21216	3.6
475.21140	1.8
476.22263	1.0
477.22574	1.3
479.20123	0.8
489.22556	1.0
493.21933	1.0
495.23813	1.0
507.20425	1.4
508.24863	2.0
509.25137	1.9
521.25604	10.8
535.26862	0.7
547.27081	0.7
549.24951	16.6
553.24365	0.9
563.26569	2.6
564.26868	1.0
577.23682	0.8
580.25977	0.7
581.27802	2.6
595.29187	10.7
609.17822	0.7
609.27057	11.5
623.27997	1.9
637.39545	0.5
655.30670	100.0
656.31415	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	655.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07915	0.2
51.81502	0.2
53.03944	0.9
55.01858	0.9
55.05498	0.9
56.05029	1.0
57.03420	0.7
61.02900	0.3
63.64079	0.2
65.03928	0.3
67.05507	1.2
69.03432	2.1
69.07073	1.5
69.58870	0.2
70.06596	7.0
71.01357	0.2
71.04985	1.0
72.08160	2.6
73.02930	0.4
77.03918	0.3
79.05492	2.3
79.19924	0.2
80.04988	0.2
81.03423	3.8
81.07059	3.8
82.06554	0.2
83.04975	0.6
83.06097	0.4
84.04508	10.9
84.08155	4.0
85.02903	2.5
85.06538	0.4
86.06061	0.6
86.09706	3.4
87.05593	0.2
88.04012	0.2
91.03922	0.2
91.05478	3.8
92.79124	0.2
93.07048	9.5
94.06545	0.2
95.04982	1.5
95.06111	0.2
95.08608	0.8
97.02892	1.7
97.06525	0.9
98.06033	0.5
98.09692	2.1
99.04459	1.8
99.09980	0.3
101.07134	0.4
102.05531	0.7
103.05461	2.8
104.63403	0.2
105.04532	0.3
105.07029	4.0
107.04956	0.7
107.08603	6.1
108.04478	0.3
109.02879	1.9
109.06525	1.6
109.10149	0.5
110.07182	1.3
111.04453	0.3
111.08096	1.0
112.08709	0.3
113.06001	0.3
115.08692	0.3
117.07002	0.8
119.04935	0.3
119.08591	1.6
120.08114	1.6
121.06509	100.0
121.10133	5.4
122.06027	1.1
122.06860	0.5
123.08138	0.2
124.07600	0.3
126.05527	0.6
127.03901	2.1
127.07556	0.6
129.10240	1.7
130.05008	12.3
130.07779	0.3
131.08575	0.8
133.06134	0.2
134.06020	0.2
135.08076	1.4
135.09018	0.2
135.11705	2.1
136.07565	0.8
137.09631	0.4
138.09145	17.7
139.07579	0.2
139.11189	0.4
140.14359	0.8
143.08566	0.3
145.06551	0.3
145.10127	4.9
145.56505	0.2
147.04395	1.2
147.11685	0.7
148.04880	0.2
148.07608	0.7
149.06009	0.5
149.09618	1.9
155.08366	0.2
158.15384	0.3
163.07568	0.7
163.11188	9.5
167.10703	2.4
169.08626	1.2
171.11594	0.2
172.06104	0.3
173.09683	1.0
176.07068	1.3
181.12245	0.9
183.15005	0.3
191.10669	4.4
192.06503	0.2
204.10208	3.2
209.11792	1.4
220.06099	0.5
221.12877	4.5
227.12759	1.5
238.07231	0.2
249.12427	0.6
250.10767	12.4
255.75047	0.2
267.13409	38.9
287.05557	0.8
309.14532	0.4
313.15662	0.2
353.15701	0.3
357.14539	0.4
361.02310	0.6
371.17026	0.4
387.05481	0.3
411.17700	0.4
429.18860	0.5
472.22934	0.2
508.25546	0.5
526.26410	5.0
554.84381	0.2
593.30511	0.4
601.27765	0.3
613.81989	0.2
637.30005	0.4
638.28271	1.7
655.30731	37.8
656.31073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.4
55.37082	0.2
56.05043	0.5
59.65193	0.2
59.69545	0.2
60.34275	0.2
64.70358	0.2
67.17200	0.2
68.05041	0.3
69.03419	0.3
70.06595	100.0
70.24557	0.3
70.24924	0.6
71.04998	0.2
71.06927	0.3
72.07754	0.4
72.08157	6.0
72.08547	0.4
74.06073	2.0
84.04513	0.9
84.08143	1.8
85.02911	0.8
86.06078	0.4
86.09711	9.0
90.05547	0.2
91.48255	0.2
96.08118	0.3
97.02937	0.2
98.06065	0.2
98.09687	1.4
100.07641	0.6
115.08701	1.9
116.07152	0.2
117.44854	0.2
122.08370	0.2
127.08681	0.9
128.10736	0.3
129.10223	0.6
130.05017	0.8
131.08177	0.3
136.07556	0.3
138.09113	0.2
138.12810	1.6
139.08640	0.3
140.14342	0.9
143.11800	5.3
147.04404	0.3
151.12215	0.2
153.10252	1.0
155.08174	0.9
158.15382	0.2
159.07669	0.5
167.08160	0.3
167.11792	0.2
169.13368	27.5
170.13615	0.2
171.11293	2.9
181.09724	1.4
183.14870	0.3
185.12975	0.2
187.10782	19.0
188.11107	0.2
197.12862	14.9
199.10776	1.6
199.14452	0.4
201.12352	4.0
209.09149	0.3
213.12268	0.3
214.15508	1.5
227.13898	0.4
236.13881	0.4
237.19661	0.6
238.11833	0.2
240.13458	0.6
244.16580	0.3
252.17079	0.2
254.15041	1.6
256.12952	0.2
258.14578	0.7
268.16537	3.1
270.14478	0.5
270.17853	0.4
272.16013	0.8
280.16556	3.7
287.05496	2.8
288.05859	2.7
288.15543	7.8
298.17615	12.2
310.20801	0.3
311.17215	0.4
326.20691	0.8
337.18628	0.6
339.23959	1.6
351.20160	0.4
355.15842	0.3
355.19815	4.0
367.23389	2.4
369.21445	1.3
422.27493	0.4
423.25967	0.5
424.25558	0.3
436.11185	0.2
440.28757	8.0
450.11212	0.3
450.27216	3.2
450.74844	0.5
451.25000	0.3
466.26611	1.9
468.28207	23.7
469.28293	0.5
484.27701	12.1
485.27847	0.2
526.46313	0.3
565.33234	0.3
636.36774	0.7
654.28400	0.4
654.37885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05504	0.6
56.05038	5.0
57.03435	1.0
58.06598	0.7
60.04527	0.6
60.05634	0.5
65.03963	0.3
67.05500	0.9
68.05032	2.1
69.03426	0.9
70.06592	3.9
71.01357	0.6
71.51210	0.4
72.08155	0.9
73.02918	1.0
74.06084	5.4
79.05551	0.2
80.15791	0.2
81.03441	0.3
82.06576	1.6
83.06061	0.2
84.04506	3.3
84.08146	100.0
85.02911	1.4
85.06541	0.5
85.07668	0.4
85.08482	0.4
86.06071	3.9
86.09710	7.1
86.81327	0.2
87.04459	0.3
91.05493	2.5
93.07063	0.6
94.06570	0.3
95.04972	0.3
96.08146	0.5
97.02892	1.1
98.06070	0.3
98.07205	0.3
98.09689	1.3
99.05595	0.2
101.07131	0.3
101.10794	3.7
102.05542	2.4
102.31567	0.2
103.05447	0.3
106.92103	0.2
107.04971	2.3
108.04407	0.3
109.06523	0.3
110.06065	0.4
110.07159	1.2
110.09669	0.3
111.09216	1.2
112.07603	1.0
112.08736	0.7
113.07127	0.7
114.05531	0.3
114.09208	0.3
115.03937	0.7
115.08727	0.3
116.07230	0.3
119.04950	2.2
120.08125	1.7
121.06494	2.9
123.09211	0.5
123.30279	0.2
125.07118	0.3
126.12888	0.2
127.03939	0.5
127.08691	1.7
127.09811	0.5
129.10245	27.6
130.04984	0.4
132.10208	3.8
133.04973	0.8
135.06781	0.7
136.07582	20.7
137.07899	0.3
138.06619	0.9
139.08699	0.5
139.12314	0.3
140.07066	3.1
140.10710	1.1
147.04396	2.5
150.09161	0.6
151.08678	1.0
153.10262	0.3
155.08186	0.4
158.08176	0.7
158.11842	0.3
165.05453	0.3
167.08202	1.0
167.11812	1.2
168.05086	0.3
169.09767	0.3
169.13390	0.6
174.09178	0.4
178.06161	0.5
185.07834	0.3
185.09222	1.4
185.12859	0.5
187.14452	0.8
195.07692	0.4
195.11287	2.3
200.10645	0.3
202.08636	1.2
202.12291	1.9
203.10315	1.0
204.46982	0.2
207.11383	0.3
212.14047	0.4
213.08789	1.1
213.12312	1.3
215.13966	1.0
229.13383	0.3
231.09814	0.7
233.14935	3.0
233.16862	0.3
234.12532	0.3
247.14433	2.7
257.13019	0.4
264.17123	0.7
265.11816	2.3
274.15573	1.7
275.13855	1.5
280.13129	0.3
280.16364	0.3
287.05304	0.2
292.16510	3.2
293.11310	2.6
295.16644	0.3
326.16965	0.4
329.15048	0.5
344.18231	0.9
347.13113	0.5
358.17685	0.3
362.19382	0.8
376.14923	0.3
386.17258	0.9
393.21707	0.3
394.16174	0.8
403.19751	1.5
404.18399	0.5
421.20883	3.6
503.05151	0.3
504.24521	1.4
505.66534	1.2
505.85651	0.7
506.05768	0.3
507.24622	1.0
510.85898	0.3
521.06952	0.3
521.26642	0.6
521.46771	0.3
522.25769	2.1
523.26929	0.3
525.25873	1.1
530.07196	0.3
531.87073	0.3
532.66193	0.5
540.26715	0.9
565.09259	0.3
573.49982	0.4
573.90448	0.5
631.83252	0.5
632.32587	0.4
635.33917	2.7
636.32916	0.6
653.35065	52.3
654.35150	0.9
661.84418	0.3
664.59143	0.6
664.84418	0.9
665.08386	0.4
665.33325	0.9
665.57483	0.7
681.60229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36669	0.3
53.03909	0.3
55.01875	2.5
56.05007	0.5
56.76881	0.3
67.05480	0.7
69.03410	0.7
69.07078	2.1
69.16650	0.6
69.17052	2.4
70.06599	3.9
71.04948	0.6
72.08124	0.8
72.64402	0.3
72.68195	0.3
74.06055	0.4
77.66433	0.3
77.78222	0.3
79.05452	0.5
81.03401	0.4
81.07043	0.5
84.04495	0.7
84.08151	2.5
85.02911	1.4
86.06042	0.4
86.09705	1.9
87.04438	0.3
89.06012	0.7
91.05453	0.8
93.07022	0.7
94.06548	1.3
95.04948	0.4
96.04465	0.4
97.02847	0.5
97.06552	0.4
98.09129	0.3
98.09696	3.5
106.06474	0.3
108.04430	0.7
108.08141	1.3
109.02913	0.4
110.07156	0.5
111.04416	0.3
112.07578	0.7
118.06556	0.4
119.04906	0.4
119.07282	0.3
120.08115	2.9
122.05995	1.0
122.09661	0.3
124.07623	0.3
129.10222	1.2
133.08612	0.5
134.05896	0.5
136.07584	2.6
138.05484	0.6
138.09103	1.0
139.06337	0.4
140.07082	3.7
140.14343	1.7
141.14696	0.3
146.05992	0.7
146.08379	0.6
147.04379	0.8
147.09161	0.4
148.07590	5.4
150.05400	0.4
152.07022	0.4
156.06543	0.7
160.07520	0.8
164.07033	0.4
166.08626	0.8
168.06589	4.0
172.07585	0.4
173.07135	0.4
174.05489	0.7
174.07834	0.6
174.09164	0.7
175.08603	0.8
176.07133	0.3
178.08623	0.6
186.09117	0.7
187.08696	0.5
188.07124	0.3
188.13818	0.3
189.10219	0.7
190.08641	0.3
194.08176	0.4
196.09793	0.6
197.10690	0.6
198.09169	1.2
198.12790	0.8
198.37309	0.3
199.08635	3.5
199.12332	0.7
201.10176	0.4
201.12111	0.3
202.08633	0.5
204.08904	0.9
205.09743	0.8
206.08368	1.5
210.09215	0.6
211.08577	0.4
211.10352	0.4
211.12157	0.5
212.10945	0.5
213.10204	1.8
214.11011	1.0
215.11826	1.7
217.09769	0.6
221.10768	0.5
224.10971	0.3
225.10254	5.0
226.06586	0.3
226.08624	1.2
226.10815	0.8
227.08257	2.1
227.11807	6.7
228.10480	0.4
228.12550	1.0
232.09714	1.6
237.10193	0.5
238.08739	0.3
238.10970	0.4
239.11830	2.3
240.08922	0.3
241.09787	1.6
241.13351	2.5
242.10419	1.8
243.11327	2.0
243.14948	0.3
251.11858	0.6
252.10254	0.9
254.10631	0.6
255.11307	20.0
256.11874	0.4
257.12930	1.9
259.10800	0.4
267.11340	3.2
269.12830	6.7
271.10760	0.6
272.11526	2.1
273.12216	0.4
275.13837	2.0
285.12338	4.1
287.05457	0.9
287.13922	6.9
290.12613	0.5
291.54715	0.3
297.12363	8.1
298.13358	0.6
299.13913	0.9
303.13391	6.2
313.11902	0.3
315.13397	100.0
316.13907	1.7
321.14566	1.5
325.11646	0.3
348.53082	0.3
353.14999	0.4
355.16595	0.5
371.16095	0.4
373.17621	0.7
383.16162	1.1
399.15570	0.4
401.17178	4.0
443.24356	0.3
499.65823	0.4
589.26093	0.4
590.24823	0.3
607.27179	0.4
617.26367	2.3
635.27148	25.8
652.83508	0.6
653.28174	33.5
654.28162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1709
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.03951	0.6
55.01853	0.4
57.03425	0.5
61.02928	0.8
63.03492	0.1
68.99795	0.4
69.03431	2.8
69.21584	0.1
69.42800	0.3
69.43217	0.3
70.06590	0.6
71.04985	0.4
72.08150	0.2
73.02905	0.4
81.03416	1.9
83.01318	0.1
84.04491	0.1
84.08147	0.5
85.02905	5.4
85.65435	0.1
86.09682	0.4
86.60035	0.1
87.04456	0.2
91.03951	0.2
95.04918	0.1
97.02895	2.5
98.09676	0.4
99.04453	0.6
105.03369	0.2
107.04916	0.2
109.02898	1.5
111.00786	0.5
120.08097	0.2
121.02003	0.2
121.02869	2.9
121.66206	0.1
127.03916	2.4
127.84004	0.1
129.10271	0.2
133.02852	0.5
133.04999	0.1
137.02347	0.8
140.14319	0.2
145.04953	1.3
147.04402	0.6
153.01836	2.6
157.06474	0.1
161.05891	0.1
165.01833	1.4
165.06943	0.1
169.96619	0.1
171.03006	0.1
174.83400	0.1
183.02852	0.7
185.06007	0.2
187.06010	1.6
189.05508	0.1
197.05899	0.1
203.07057	0.2
213.05438	1.0
217.04890	0.1
231.06528	0.6
241.04930	0.6
258.05295	0.9
259.06003	0.4
269.04468	0.2
287.05496	100.0
288.05753	1.2
305.77420	0.1
332.78467	0.1
449.10852	0.4
450.24997	0.1
461.71948	0.1
491.11841	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	653.1715
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.03950	1.4
55.01866	0.3
55.05503	0.4
56.05037	1.3
57.03446	0.9
58.06584	0.1
60.04513	0.3
61.01157	0.6
61.02943	0.7
64.73618	0.1
65.03948	0.1
67.05488	0.4
68.05024	0.5
68.99818	0.3
69.03436	6.4
69.07050	0.3
70.02969	0.1
70.06597	5.1
70.58523	0.4
71.01346	0.2
71.05001	1.0
71.06927	0.3
72.08162	2.0
73.02923	0.8
74.06075	0.3
76.50014	0.1
79.05496	0.2
81.03425	7.4
81.07059	0.1
82.06557	0.1
83.05004	0.1
84.04510	2.1
84.08150	5.9
85.02914	5.4
85.03448	0.2
85.07661	0.2
85.08474	0.3
86.06062	0.5
86.09714	2.1
87.04468	0.2
87.05600	0.1
88.03968	0.3
91.05473	0.3
95.04993	0.2
95.06107	0.2
96.04501	0.1
96.08148	0.1
97.02901	3.9
98.06049	0.4
98.09108	0.2
98.09702	2.6
99.04465	1.5
99.05515	0.1
99.10057	0.2
101.07139	0.2
101.10801	0.1
102.05553	1.3
103.03933	0.2
104.05343	1.1
105.03422	0.2
105.07011	0.1
107.04958	0.3
107.08618	0.1
109.02891	5.3
110.06063	0.2
110.07181	0.6
111.00801	0.4
111.04427	0.2
112.08725	0.6
113.07152	0.2
113.74406	0.1
115.03922	0.3
115.08684	0.4
119.04891	0.2
120.08125	0.8
121.02863	2.1
121.06516	0.4
122.06046	0.2
125.07117	0.1
125.10806	0.1
126.12807	0.2
127.03931	4.7
127.12323	0.2
129.05484	0.1
129.10258	3.8
130.05037	0.1
130.10608	0.1
131.04913	0.1
133.02885	0.3
133.04987	0.2
136.07599	1.0
137.02350	0.4
137.05977	0.2
138.06572	0.1
138.12849	0.1
139.03925	0.2
140.08134	0.1
140.14368	1.3
145.04965	1.2
145.06088	0.1
145.06583	0.1
146.06302	0.4
147.04422	0.8
150.09169	0.1
153.01851	2.3
155.08168	0.1
157.06464	0.3
158.15395	0.2
159.11227	0.1
165.01872	1.2
167.08125	0.1
169.04951	0.1
169.06299	0.2
171.04440	0.1
174.05830	0.2
174.09198	0.1
175.07565	0.2
183.02890	0.7
185.05923	0.3
186.12363	0.4
187.06021	5.0
187.10738	0.2
187.12506	0.1
189.12411	0.2
195.11316	0.1
197.05919	0.2
199.03886	0.1
203.03310	0.1
205.07085	0.4
205.09813	0.1
213.05435	0.7
214.15387	0.1
225.17065	0.2
231.06531	0.6
239.15103	0.4
241.04967	0.7
241.07805	0.1
258.05261	0.7
259.06042	0.2
269.04373	0.1
286.04767	0.2
287.05515	100.0
288.05823	1.0
299.05548	0.2
303.09915	0.1
304.19095	0.3
304.69229	0.2
311.05484	0.1
315.13382	0.2
329.06567	0.7
353.06668	0.2
377.22263	0.2
378.12088	0.2
395.07745	0.2
436.73337	0.1
443.24142	0.3
444.29340	0.8
445.29230	0.1
449.10834	11.5
450.24860	1.3
450.75275	0.7
451.24918	0.2
458.24487	0.4
458.74670	0.2
464.84085	0.1
473.10706	0.1
491.11642	0.1
501.76651	0.2
540.31531	0.1
557.27899	0.2
566.29120	0.2
617.25916	0.2
652.70862	0.2
652.81085	2.0
653.31274	1.8
653.81268	0.2
654.28522	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	651.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59159	1.4
53.03939	5.9
53.60036	1.5
55.01872	4.2
55.05268	2.3
55.05513	27.3
57.03434	10.5
57.07060	1.5
59.04999	3.8
59.63279	1.3
65.03929	3.0
67.05507	100.0
69.03430	28.5
69.07071	13.6
69.28261	10.8
69.28671	2.6
71.01343	1.5
71.04981	7.4
79.05495	32.8
81.03426	38.0
81.06590	3.3
81.07057	51.9
83.04985	16.0
83.08613	14.5
85.02902	6.9
85.06533	2.3
91.05481	28.2
93.07047	37.0
95.04965	7.3
95.08608	36.9
97.02895	11.3
97.06556	4.7
97.10148	11.0
98.11707	1.7
98.21548	2.8
99.04465	5.2
99.08085	2.6
105.04529	1.5
105.07035	23.1
105.98918	1.4
107.04949	3.4
107.08608	23.0
109.02873	8.0
109.06534	5.4
109.10163	66.9
111.04451	7.4
111.08084	5.4
113.06026	1.4
116.11549	1.4
117.07026	12.6
119.08583	20.5
121.06525	4.8
121.10149	14.4
123.04457	1.8
123.08044	1.7
123.11700	6.0
125.09617	10.1
127.03931	6.9
128.06224	3.0
129.05501	8.8
129.06996	6.8
131.08565	13.9
133.06522	2.1
133.10147	13.0
135.08044	4.8
135.11722	7.2
137.09586	5.5
141.06952	2.0
142.07793	1.8
143.08589	7.9
145.06522	3.1
145.10126	12.3
147.08066	3.1
147.11693	10.8
149.09671	3.4
149.13280	6.8
155.08589	3.8
155.10661	9.1
157.10115	5.1
159.11711	9.5
161.09581	2.8
161.13280	4.4
163.11143	1.7
167.08502	1.8
169.10164	3.6
171.11652	7.4
173.11748	14.8
173.13297	6.8
175.11293	2.2
175.14787	2.1
181.10143	2.6
183.11627	3.9
185.09627	2.1
185.13281	6.1
187.14760	4.2
189.11215	5.6
189.12820	1.9
197.13370	2.8
199.14905	1.8
201.12802	2.0
203.14282	2.4
207.92380	1.4
209.13268	2.2
211.14902	2.3
213.12801	1.5
219.26483	1.5
227.12836	6.4
229.14372	35.9
243.21173	1.8
245.13844	2.8
256.09473	1.6
259.20639	4.2
261.22183	6.6
263.23557	2.1
277.21802	3.8
283.20651	2.9
289.21494	1.9
291.23114	1.8
299.15002	4.3
301.21777	7.6
301.24762	1.6
303.23279	3.5
319.22607	2.7
327.23239	2.5
335.25800	11.2
337.27271	8.2
339.22931	1.7
341.24805	3.3
345.24280	2.8
351.23074	7.5
357.24182	2.0
369.24225	11.1
371.16599	3.4
371.25674	2.6
373.18542	9.8
375.25351	1.7
387.25226	5.9
405.26395	4.9
443.28116	4.5
461.28894	6.7
479.30173	6.6
489.35730	6.6
507.36935	3.6
516.56738	1.6
597.37427	6.1
615.38623	7.0
633.40002	40.5
651.40906	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.0
53.03952	6.6
55.01860	4.4
55.05508	31.4
57.03444	11.0
57.07073	2.0
59.04998	2.6
65.03925	4.3
67.05504	100.0
69.03088	1.8
69.03432	22.8
69.07069	15.0
69.63972	2.7
69.64391	4.1
71.04986	7.7
73.02899	1.2
75.14394	1.1
75.76542	1.0
79.05496	33.2
81.02929	1.9
81.03419	47.2
81.07053	58.9
83.04982	22.4
83.08620	13.1
85.02889	5.1
85.06529	3.7
87.04444	1.9
91.05478	23.8
93.07047	34.7
95.04964	7.0
95.08604	41.6
97.02896	13.3
97.06516	3.8
97.10171	14.2
99.04424	3.7
99.08091	1.2
103.03921	1.7
103.05420	1.2
105.06393	1.8
105.07038	22.0
107.04916	2.6
107.08603	22.6
108.96931	1.0
109.02879	7.6
109.06509	3.2
109.10154	60.9
111.04434	8.5
111.08057	4.0
113.05980	1.5
113.09657	1.3
116.06293	1.1
117.07030	9.0
119.08582	16.4
121.06493	2.5
121.10146	16.1
123.08036	1.7
123.11674	5.4
124.75869	1.2
125.09639	11.0
127.03926	6.5
128.06157	2.9
129.05499	10.1
129.06940	6.4
131.04927	1.3
131.08569	16.4
133.06467	2.3
133.10136	15.2
135.08040	3.7
135.11714	8.7
137.09595	5.9
137.13264	1.6
139.11143	1.6
141.06949	2.0
142.07761	2.4
143.08580	6.9
145.06490	1.9
145.10106	11.8
147.08043	3.1
147.11665	7.6
149.09650	1.8
149.13283	6.3
151.07549	1.2
153.06970	1.3
153.09113	2.2
155.08569	2.6
155.10666	4.1
157.06509	1.1
157.10141	5.9
159.08035	1.3
159.11690	8.9
161.09590	2.3
161.13275	3.4
163.11163	1.4
163.14825	2.4
165.62984	1.0
169.10106	5.3
171.08078	2.4
171.10324	1.4
171.11632	5.5
173.09593	2.7
173.11717	13.7
173.13257	6.1
175.11169	1.7
175.14864	2.2
177.12733	2.4
179.08612	1.1
179.14374	1.6
181.10121	2.6
183.08005	1.6
183.11710	3.3
185.09683	2.2
185.13234	3.4
187.11189	3.4
187.14845	3.4
189.11205	7.7
189.16386	1.6
195.11772	2.0
197.13239	2.5
199.14835	2.5
209.13400	1.6
211.14806	1.9
213.16496	1.6
215.14355	1.3
223.14909	1.8
227.12706	12.5
229.14343	25.9
241.19597	1.4
245.13786	3.5
257.19089	1.3
259.20511	2.8
261.22241	5.3
263.23676	1.6
273.18604	1.3
273.21960	1.7
277.21643	3.2
279.23093	1.4
281.14108	1.2
282.36200	1.1
285.22064	1.3
289.21451	1.5
290.34732	1.1
299.14874	2.9
301.21637	3.7
303.23148	2.1
315.23096	1.7
317.24677	1.3
319.22763	3.1
333.84561	1.1
335.25839	18.4
337.27435	11.3
339.22754	1.4
341.24857	1.7
345.24335	1.7
346.17157	1.1
351.23151	4.5
369.24298	9.4
371.16895	6.2
371.25903	1.1
373.18518	11.3
375.25238	1.9
387.25223	7.2
405.26273	3.3
425.26999	1.3
443.27765	3.6
461.29037	6.3
478.00952	1.3
479.29803	5.8
489.35590	9.0
505.34531	1.5
507.36755	4.3
531.36505	1.3
559.35498	1.6
585.38287	1.1
597.38287	5.8
615.38611	5.8
633.39954	32.4
651.40936	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.4
55.01865	3.3
55.05520	23.9
57.03438	10.2
61.67668	1.6
67.05507	100.0
69.03095	1.9
69.03432	28.8
69.07067	15.4
70.77047	5.4
71.04980	8.3
71.91986	1.6
79.05495	29.5
80.07191	1.9
81.03422	29.4
81.06598	2.8
81.07063	52.4
83.04988	16.6
83.08624	9.7
85.02891	6.6
85.06529	5.2
87.04460	2.3
91.05489	28.9
93.07050	37.1
95.04989	9.6
95.08609	36.0
97.02894	11.5
97.06503	3.4
97.10204	9.7
99.04468	4.1
99.08072	3.9
103.05414	1.9
105.07048	24.6
107.04939	3.7
107.08594	22.7
109.02894	4.9
109.06521	5.1
109.10161	80.1
111.04449	7.9
111.08090	6.5
117.07020	15.5
119.08581	21.2
121.06512	6.4
121.10159	17.4
123.04390	2.1
123.08064	4.1
123.11697	8.2
125.09665	10.3
127.03863	5.1
128.06219	1.7
129.05449	7.2
129.07016	8.6
131.08578	20.6
133.06444	4.1
133.10141	15.5
135.08023	6.2
135.11697	10.4
137.09566	5.8
139.11153	3.7
141.07010	3.6
143.08580	9.8
145.06485	3.4
145.10118	15.2
147.08026	3.4
147.11679	11.3
149.09583	4.0
149.13228	3.4
153.09204	2.2
155.08545	3.7
155.10637	4.6
157.06502	2.2
157.10109	8.2
159.08113	2.6
159.11661	14.4
161.06133	1.9
161.09608	3.2
161.13264	5.7
163.11191	4.7
169.10124	4.7
171.07977	3.5
171.10263	2.6
171.11687	7.5
173.09560	3.5
173.11742	22.8
173.13251	6.9
174.04506	1.8
175.11189	3.7
175.14832	3.7
181.10019	3.2
183.11621	5.1
185.09637	3.8
185.13225	5.2
187.14781	3.4
189.11140	7.4
189.12695	3.5
191.14435	2.0
195.11679	2.1
197.13280	2.3
199.14838	4.8
202.13509	2.2
209.11627	2.3
227.12766	7.8
229.14349	58.2
245.13713	4.6
259.20612	3.4
261.22211	4.3
277.21573	3.0
279.23218	3.6
285.22101	2.4
301.21613	6.8
303.23111	2.8
315.23291	2.5
323.23721	2.1
327.23145	4.1
331.96796	2.0
335.25854	8.2
337.27371	4.9
341.24600	2.6
345.24225	5.0
351.22971	9.1
353.24496	2.8
369.24240	17.7
371.16739	3.6
373.18546	6.2
375.24741	2.0
387.25400	8.4
405.26138	5.9
425.27264	2.9
443.27902	5.8
461.29053	6.6
479.29868	5.3
487.34036	3.0
489.35629	7.6
505.34366	2.1
507.36371	2.7
547.36780	2.2
573.37524	2.5
597.37958	11.9
603.38733	3.4
615.38849	12.1
633.29742	2.6
633.39966	48.9
651.40826	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	651.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.3
53.03936	4.1
55.01878	5.1
55.05514	26.0
57.03442	12.9
57.07070	2.9
59.04995	3.5
65.03936	3.3
67.05510	100.0
69.03434	24.1
69.07072	15.1
69.81687	4.1
71.01359	1.1
71.04994	7.9
71.08609	1.0
71.79523	0.9
73.02898	1.8
79.05500	28.1
81.03426	43.2
81.07065	52.6
83.04992	17.9
83.08627	12.5
85.02919	4.9
85.06526	2.6
87.04474	1.2
91.04906	1.3
91.05485	24.7
93.07050	31.8
95.04980	8.4
95.08617	35.5
97.02898	14.8
97.06524	3.5
97.09648	1.1
97.10184	15.2
98.32041	0.9
99.04456	3.1
99.08111	2.2
99.62691	1.0
103.03945	1.4
103.05427	1.1
105.07041	23.2
107.04955	3.5
107.08601	21.3
109.02262	1.0
109.02872	6.6
109.06528	4.9
109.10165	63.7
111.04469	7.3
111.08112	5.3
115.05451	1.9
117.07047	11.5
119.08583	18.2
121.06496	4.1
121.10150	16.3
123.04497	1.1
123.08047	3.8
123.11700	6.3
125.09628	10.1
127.03941	6.9
128.06198	1.8
129.05522	6.9
129.07027	7.7
131.08578	15.0
133.06474	3.0
133.10132	13.7
135.08064	3.7
135.10774	1.4
135.11694	8.8
137.05948	0.9
137.09653	4.8
137.13226	1.5
139.07626	1.3
139.11168	2.9
141.06972	3.2
142.07762	1.5
143.08569	8.2
145.06467	2.8
145.10133	11.7
147.08047	3.5
147.11678	9.8
149.09633	3.5
149.13293	5.5
151.07565	1.8
153.09077	1.7
155.08542	4.3
155.10580	4.7
157.06502	1.3
157.10181	5.2
159.08121	2.2
159.11705	11.3
161.09630	2.9
161.13271	4.8
163.11137	1.5
163.14755	2.1
165.09071	1.3
165.12811	1.3
167.08560	2.2
169.10138	4.1
171.08075	1.9
171.10313	1.0
171.11681	5.0
173.09607	2.2
173.11742	17.7
173.13274	6.8
175.11174	2.7
175.14809	2.2
177.12762	2.2
179.10709	1.1
181.10039	1.9
183.11746	5.1
185.09605	2.5
185.13194	4.3
187.11171	1.9
187.14804	3.6
189.11237	8.4
189.12810	2.4
189.16348	1.4
191.14276	1.4
193.10165	1.3
195.11755	1.5
197.09659	1.3
197.13219	2.9
199.11163	1.9
199.14796	2.5
201.12799	1.2
207.11813	1.2
207.13791	1.2
209.13266	1.4
211.11339	1.3
211.13158	2.1
213.12831	2.0
215.14394	1.2
221.13356	1.1
221.15385	1.2
223.11218	1.1
227.12743	15.5
227.14603	1.2
229.14363	46.5
235.14854	1.4
241.19586	1.6
243.21129	1.7
245.13753	3.9
251.18167	1.1
259.16757	1.0
259.20596	3.2
261.22128	3.9
263.23718	1.9
264.80023	1.0
273.22055	1.5
277.21622	2.1
283.20453	1.1
285.22183	2.0
289.21689	1.6
295.17206	1.0
297.13171	1.8
299.14850	3.0
299.23410	1.1
301.21686	5.1
301.24750	1.1
303.23190	2.1
315.23129	2.6
319.22620	2.9
327.23172	2.1
333.24194	1.7
335.25891	10.0
337.27487	9.1
341.24753	3.2
345.24109	1.6
351.23163	6.3
357.24478	1.7
359.25998	1.3
369.24277	13.1
371.17209	6.5
371.25842	2.1
373.18579	7.5
385.23032	1.1
387.25323	7.8
389.26953	1.3
393.26318	1.3
405.26324	5.2
413.26523	1.2
423.27759	1.3
425.26755	1.8
443.27982	3.9
461.28964	7.8
479.30023	4.2
487.34174	1.8
489.35852	9.5
505.34714	1.7
507.37009	2.9
529.35022	1.1
531.36658	1.3
547.35956	1.3
559.36334	1.9
573.37402	2.3
585.37634	2.5
597.38007	9.2
603.39215	2.1
615.38898	11.0
633.40002	35.1
651.40942	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	21.0
57.03433	12.3
57.07072	7.2
63.79905	4.6
67.05513	78.6
69.07079	26.2
70.53548	4.0
75.74847	4.3
79.05499	46.9
81.06602	5.1
81.07066	100.0
83.04991	6.6
83.08615	20.9
88.66735	4.0
91.05489	20.5
93.07054	61.3
95.04972	3.9
95.08615	75.6
97.06558	6.7
97.10191	12.8
98.21517	13.1
105.07038	32.4
107.08609	33.5
109.10162	25.5
117.07035	7.3
119.08582	18.8
121.10165	28.9
123.11720	13.1
131.08546	14.2
133.10153	14.4
135.11673	11.9
145.10072	6.0
147.11716	11.6
149.13275	10.5
158.67935	4.4
161.13234	12.4
163.14827	11.1
173.13300	9.2
175.14790	4.5
216.92871	4.1
229.10313	5.1
243.21068	17.6
245.87204	4.7
261.22171	26.2
263.23749	4.6
317.24692	8.5
335.25836	51.0
337.27399	61.3
523.45587	5.9
597.49139	20.2
615.49872	52.3
650.49554	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01855	3.1
55.05508	4.1
56.05022	0.7
57.03440	1.9
57.28363	0.7
59.04992	0.9
60.04522	0.8
65.03938	0.7
67.05504	5.9
68.05006	1.3
68.99792	1.6
69.03436	11.1
69.07064	6.0
70.06589	10.4
71.04974	1.5
71.52680	1.1
72.08165	3.8
73.02907	0.8
74.06087	0.8
79.05505	4.5
81.03407	1.3
81.07058	8.8
83.04492	1.2
83.04980	23.1
83.08614	2.3
84.04504	1.7
84.07696	0.9
84.08151	9.3
85.02899	2.7
85.06541	1.6
86.06056	2.7
86.09704	5.1
87.00826	3.3
87.04435	1.0
91.03960	1.0
91.05478	10.0
93.07047	28.8
95.01296	0.9
95.04982	3.2
95.08604	13.0
97.02895	0.8
97.06532	2.6
98.09678	3.0
99.08111	0.8
101.06008	2.8
103.03937	3.2
105.07028	13.4
107.04946	2.6
107.08579	7.4
107.90302	0.8
109.06509	5.6
109.10168	4.7
110.07173	2.1
111.04445	7.9
111.08091	7.8
112.08710	1.0
114.05515	0.6
115.03922	1.7
115.05431	0.9
117.07021	2.3
118.43834	0.6
119.04951	4.5
119.08590	9.4
120.08107	2.6
121.02837	1.2
121.06506	9.8
121.10137	6.9
123.04408	0.9
123.08060	2.8
123.11707	1.5
125.06001	0.9
127.03929	0.9
129.05473	7.8
129.06935	0.9
129.09134	2.7
129.10234	4.3
131.08560	2.8
133.06506	5.4
133.10133	21.7
135.08049	7.9
135.11679	6.0
136.07584	2.9
136.08832	4.7
137.05991	8.2
137.09624	3.8
139.03886	1.1
139.07553	9.7
140.14346	1.1
142.07770	2.3
143.07031	2.2
143.08589	0.8
144.09322	1.6
145.06508	1.0
145.10167	1.3
146.07275	0.8
147.04404	3.6
147.08058	3.2
147.11694	12.1
149.05978	3.2
149.09621	24.1
149.13249	2.9
151.07545	1.3
151.11186	6.9
157.08614	3.2
157.10124	7.9
159.08102	1.1
159.11662	7.0
160.08804	6.1
161.06007	1.9
161.09619	24.9
161.10954	1.2
163.11148	1.1
165.05502	1.5
167.07027	1.8
173.12823	0.6
175.11186	43.9
176.11676	0.8
177.12773	10.1
179.10678	2.4
181.66800	0.7
185.08170	1.4
185.09680	2.1
187.11264	0.8
188.08264	4.1
189.04047	0.9
193.12251	11.7
195.13824	15.4
203.08882	1.4
203.10681	22.0
205.12257	1.2
221.11726	56.8
222.12021	1.3
223.13293	4.7
225.17122	0.8
239.12750	8.4
241.14334	20.6
307.11722	5.7
309.13303	11.6
311.05673	1.3
313.07111	1.0
325.12811	100.0
326.13239	2.3
327.14374	95.5
328.14532	1.7
431.28772	0.7
432.90076	2.2
433.23682	1.5
489.14075	3.4
505.85938	0.8
506.05539	0.7
514.15509	0.8
521.45520	0.8
613.86511	0.8
632.57050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
55.01886	1.7
55.05516	19.6
57.03436	5.1
57.07073	6.9
59.04998	5.5
61.02920	3.2
63.74215	1.2
64.75189	1.2
65.03946	1.8
67.05509	27.2
69.03436	13.8
69.06734	1.7
69.07076	23.0
70.06600	19.0
71.04997	20.4
71.06922	1.3
71.08620	2.0
72.08151	4.7
73.02917	3.9
74.06077	1.4
75.00598	1.2
77.03931	1.5
79.05500	17.9
81.03432	15.2
81.07066	93.1
83.04974	4.7
83.08634	15.2
84.04542	3.2
84.08152	12.7
85.02913	38.5
85.06084	2.1
85.06554	20.7
86.09724	9.2
91.03978	2.1
91.05496	15.3
93.06483	2.7
93.07054	39.6
95.04975	5.4
95.08617	80.5
97.02898	17.4
97.06558	13.7
97.10169	7.9
98.09695	13.6
99.04461	25.8
99.05503	1.3
99.08122	13.0
99.10037	1.5
103.03954	35.9
105.06394	2.3
105.07044	28.5
107.04961	1.9
107.08604	46.0
109.02911	13.5
109.06519	4.8
109.10165	56.1
110.07174	2.9
111.08103	9.6
111.11721	4.1
112.07610	1.5
112.08746	1.8
113.09655	22.6
115.03919	2.2
117.07035	3.9
119.04918	5.2
119.08604	32.3
120.08115	5.0
121.06534	3.0
121.10155	45.0
121.11038	2.2
123.08076	5.1
123.10825	3.0
123.11720	51.4
124.07615	2.4
125.09650	14.6
127.03934	43.9
127.11199	18.7
129.06987	1.9
129.10240	5.3
130.06595	1.4
131.08609	8.1
133.06572	1.3
133.10143	25.4
135.08076	2.4
135.11703	23.7
136.07574	3.8
137.07117	1.5
137.09624	7.0
137.13272	6.6
139.11229	6.9
140.14328	3.3
141.14601	2.1
142.07776	1.7
143.08574	3.5
145.04991	18.2
145.10170	9.9
146.06000	1.7
147.04439	18.3
147.08131	1.8
147.11702	32.6
148.04761	4.4
149.09637	3.5
149.13272	26.8
150.09149	1.3
151.11192	4.9
151.14832	12.7
153.12755	3.1
157.10133	3.0
158.15451	4.6
159.09280	1.3
159.11711	11.6
161.09645	1.5
161.13254	17.9
163.06055	9.5
163.11218	3.2
163.14845	20.7
165.09116	22.8
165.12772	3.6
165.16399	1.9
166.04950	1.3
167.14352	4.8
173.13307	10.3
175.14842	13.9
177.16441	9.5
179.14285	8.7
181.15936	3.7
185.15341	9.7
187.06052	3.1
187.14764	9.8
189.16367	9.3
191.14410	1.5
191.17961	7.4
193.12381	1.3
193.15944	2.5
197.13361	1.4
197.15404	7.9
201.16423	9.1
203.17982	42.6
204.06520	1.6
205.12358	1.7
205.19414	2.1
207.17471	5.5
215.17924	7.0
217.19540	2.4
219.17416	3.9
221.15416	1.5
221.19008	21.0
225.18549	6.4
229.19543	3.9
231.21120	3.7
233.19028	2.3
235.20622	1.9
237.18515	2.1
238.91626	1.5
239.20111	3.3
245.22647	4.0
259.24249	1.9
263.23727	3.0
271.08084	2.5
271.24246	21.5
277.25333	5.4
285.12296	2.7
289.25314	46.7
295.26370	3.8
297.12363	3.4
303.13461	2.4
307.10355	1.7
307.22675	1.5
307.26337	50.8
325.27405	100.0
343.28378	3.9
379.53510	1.3
401.12759	1.5
559.32996	2.0
599.24890	8.2
649.34283	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	648.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65673	1.9
53.03965	2.9
55.01866	2.0
55.05514	16.8
57.03429	6.8
57.07063	6.1
67.05180	3.4
67.05507	43.8
69.07067	18.8
71.08643	9.9
71.52500	3.1
79.05489	25.3
81.07053	45.6
81.40103	1.8
83.04989	3.3
83.08611	8.9
85.06524	3.5
85.10174	2.6
87.41916	2.0
91.05495	16.3
92.35542	1.8
93.07047	27.3
95.04974	3.8
95.08608	38.9
97.06573	2.6
97.10174	5.4
99.08097	7.0
105.07051	11.0
107.08591	21.1
109.06515	2.0
109.10154	18.2
119.08583	6.6
121.10136	15.3
123.11707	5.4
131.08551	5.5
133.10150	7.6
135.11678	13.2
137.13274	2.6
145.10115	3.7
147.11708	6.3
149.13255	5.8
151.11168	3.1
161.13245	5.3
163.14752	2.8
179.14288	19.5
227.12750	2.2
243.21356	2.4
261.22220	8.2
277.21570	13.2
279.23151	5.8
335.22125	4.1
335.25809	34.9
337.27353	35.9
339.40103	2.1
351.25314	9.2
353.26874	16.0
392.25024	2.7
500.66669	2.3
613.48297	51.4
648.48871	100.0
667.04938	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	648.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29107	0.2
53.03948	0.4
55.05521	0.8
57.03443	0.4
65.03940	1.7
67.05517	3.6
68.05034	0.4
69.03436	0.7
69.07051	0.6
69.20050	2.0
69.20454	0.4
70.06602	7.8
71.04984	0.6
72.08157	0.8
79.05507	0.7
81.03418	1.1
81.07066	1.6
83.07371	0.3
83.08626	0.4
83.15665	0.3
84.04493	0.6
84.08146	3.5
85.02901	1.3
85.06538	0.3
86.09714	1.7
87.04462	0.4
91.03934	0.4
91.05490	11.5
93.07046	0.9
95.04980	0.6
95.08627	1.1
96.08154	0.8
97.02908	0.3
98.09703	50.3
98.20808	0.5
105.07054	0.6
107.08601	0.8
108.08153	0.4
109.02898	0.9
109.06535	0.4
109.10164	4.3
110.07187	0.4
110.09721	0.4
111.10474	0.7
112.11245	0.6
115.08660	0.3
119.04955	28.0
119.08599	0.6
120.08120	1.0
121.06535	0.8
121.10151	0.4
127.03928	1.0
129.10263	0.9
136.07562	0.6
137.08571	0.3
137.09627	6.6
138.12866	0.3
140.14357	18.9
140.26646	0.3
147.04424	100.0
148.04839	0.5
150.09172	0.3
158.15422	22.2
165.09131	3.5
166.08629	0.4
168.01048	0.3
172.94679	0.2
174.09142	0.3
227.12868	0.4
293.09314	0.3
304.19186	0.6
308.08984	0.3
309.13281	0.3
311.34183	0.3
327.14374	1.0
348.12158	0.2
454.24225	0.3
551.22894	0.6
551.49402	0.3
616.22821	0.7
648.33862	81.0
649.34241	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
54.52917	1.2
55.05269	1.8
55.05514	22.0
57.03441	17.0
57.07069	5.3
59.12019	1.1
65.03920	2.9
67.05508	72.3
69.07072	27.6
69.30649	8.7
69.31063	2.2
71.04996	2.5
71.08628	2.1
79.05495	42.1
81.07059	71.3
83.04975	2.9
83.08618	15.6
85.06551	3.8
91.05484	28.8
93.07047	42.9
95.04964	4.1
95.08609	57.5
97.06526	4.3
97.10181	7.2
99.08081	2.7
105.07034	28.3
106.22487	1.0
107.08592	26.7
109.06509	4.5
109.10162	21.7
111.08067	3.2
111.11767	1.9
113.09570	1.0
117.07012	8.1
119.08581	24.2
121.09315	2.4
121.10142	23.0
123.08129	2.1
123.11713	7.1
125.09640	3.0
129.07018	4.1
131.08560	15.0
133.10136	19.1
135.11707	13.9
137.09627	1.5
137.13284	3.0
139.11205	1.2
143.08553	2.6
145.10129	10.5
147.11679	12.8
149.09634	2.2
149.13281	8.1
157.10136	2.7
159.11702	9.4
161.13254	10.1
163.11214	1.7
163.14819	3.2
165.12706	1.6
169.46690	1.1
171.11679	3.3
173.13251	4.4
175.14838	4.3
177.12798	1.3
177.16402	1.9
179.14317	2.0
180.12431	1.1
185.13260	3.5
187.14809	6.9
189.11104	1.3
199.14813	2.8
201.16412	1.4
203.17944	1.9
205.15837	3.0
213.16379	2.0
221.19131	1.9
227.12767	1.2
229.14386	2.1
231.21101	2.3
241.19542	8.3
245.22678	2.6
257.18875	1.5
259.20563	21.0
261.21997	1.5
263.23663	3.5
267.37320	1.2
275.20303	1.4
277.21643	17.3
293.21240	4.2
315.23135	1.7
333.24298	12.2
335.25882	3.5
337.27377	100.0
351.25284	30.5
491.36990	1.4
531.40521	2.1
595.47241	2.7
613.48248	32.0
648.48364	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	647.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
57.03427	0.8
57.07082	2.3
67.05502	1.7
69.07079	0.8
69.31763	3.3
71.08645	1.9
72.71013	0.4
76.63734	0.4
79.05495	0.6
81.07054	1.5
83.08633	0.8
85.10188	1.2
90.05597	0.4
91.05486	0.5
93.07053	0.5
95.08609	1.6
98.21581	0.8
109.10184	0.8
110.05940	0.4
134.73415	0.4
141.92186	0.4
165.67447	0.4
166.65733	0.4
313.27426	1.5
335.21960	7.4
365.52850	0.4
391.24716	3.3
547.40076	0.5
647.48572	100.0
648.49054	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01860	0.4
55.05501	1.0
56.05029	0.4
58.06579	0.3
58.99581	0.4
61.02918	0.5
65.03928	1.7
67.05504	3.9
67.62519	0.3
68.05026	0.5
69.03424	0.6
69.07058	1.0
70.06593	9.7
71.02920	0.5
71.04995	0.7
72.08167	1.4
73.02925	0.3
74.06079	0.3
76.02221	1.6
76.06161	0.3
79.05486	0.6
81.03396	1.3
81.07069	1.4
83.08604	0.5
84.04491	1.2
84.08144	4.7
85.02910	2.2
86.06122	0.3
86.09704	3.4
87.04482	1.5
91.05483	12.3
93.07050	0.8
95.04967	0.7
95.08617	1.4
96.08140	0.5
97.02892	1.0
98.09695	56.3
98.20967	0.3
99.04463	1.2
102.12733	0.3
103.03949	1.1
105.07050	0.6
107.04906	0.3
107.08591	0.7
108.08111	2.0
108.08765	0.4
109.02888	1.1
109.06528	0.4
109.10156	3.5
110.07159	0.5
111.10431	0.3
112.08742	0.3
116.01634	0.7
116.05014	0.3
119.04945	30.6
119.08607	0.6
120.05324	0.4
120.08127	1.3
121.06519	0.8
121.10143	0.5
127.03889	2.0
129.10236	1.4
130.05060	0.3
131.08589	0.3
136.06155	0.7
136.07588	1.0
137.09610	5.2
139.88225	0.3
140.14343	21.2
145.04973	0.8
145.10127	0.3
147.04411	100.0
148.04750	0.7
150.09134	0.4
158.15407	24.8
159.15742	0.3
162.02223	0.7
163.06042	0.6
165.09093	3.3
166.08641	0.4
172.03917	1.9
173.12994	0.3
179.04886	0.9
184.10793	0.3
190.05045	1.3
204.06548	1.8
213.08859	0.4
233.05917	0.5
281.12683	0.3
287.05774	0.3
304.19104	1.1
307.10577	0.3
308.09180	2.4
309.12216	1.4
327.14151	1.0
395.53406	0.3
616.21661	0.5
648.33789	88.5
649.34045	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	646.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.01877	1.5
55.05521	13.0
57.03445	8.6
57.07079	3.0
57.71846	0.9
65.03944	1.6
67.05513	39.3
69.03395	1.1
69.07075	10.2
71.04984	2.1
71.12005	1.8
74.37253	0.8
76.09355	1.0
79.05500	27.7
81.07063	39.8
83.04989	1.6
83.08625	6.5
85.06544	2.8
89.88866	1.0
91.05490	23.3
93.07050	32.0
95.04967	3.4
95.08618	29.0
97.06553	2.4
97.10184	3.3
99.08099	1.2
103.05477	1.1
105.07043	19.9
105.07704	1.8
107.08606	18.5
109.06519	1.5
109.10166	15.0
111.08107	1.8
117.07014	7.2
119.08596	13.7
121.10158	15.2
123.08063	1.9
123.11736	3.5
125.09615	2.1
129.07007	1.9
131.08574	9.3
133.10149	12.4
135.11711	9.6
137.09657	1.5
143.08565	1.6
145.10129	8.4
147.11708	8.5
149.13304	5.6
151.11253	1.3
157.10210	1.4
159.11705	6.2
160.91446	0.9
161.13283	5.3
163.14848	2.4
171.11711	2.3
173.13263	2.9
175.14876	2.3
177.12697	1.2
177.30612	1.0
185.13304	2.5
187.14848	3.4
193.16216	0.9
201.16422	1.6
205.15933	1.8
221.18864	1.2
241.19569	3.6
259.20609	10.4
261.22195	2.7
277.21674	8.3
317.24716	1.4
333.24451	6.3
335.22079	4.2
335.25803	46.0
336.15762	0.9
336.22369	2.8
351.25339	15.3
391.24280	1.2
392.25009	1.5
529.38922	1.4
602.67871	1.0
611.46667	13.2
646.47382	100.0
647.25421	1.1
647.47919	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80145	0.3
53.03936	0.9
55.01870	1.5
55.05507	1.3
56.05031	0.8
57.03191	0.3
57.03445	3.6
58.06597	0.8
59.04992	0.3
60.04509	0.5
60.05627	0.3
61.02935	3.7
63.17303	0.3
67.05508	5.4
68.05031	1.7
69.03435	13.1
69.07063	1.5
69.66205	1.2
70.06596	12.4
71.01365	0.9
71.05000	3.1
71.92384	0.3
72.08160	1.6
73.02934	3.4
74.06090	0.4
79.05512	0.4
81.03428	4.4
81.07069	1.2
82.06607	0.4
83.01340	0.4
83.04972	1.2
83.07359	0.6
84.04507	1.2
84.08150	6.9
85.02910	32.6
85.07674	0.4
86.06071	2.8
86.09708	1.9
87.04485	3.1
87.05569	0.3
91.03944	1.8
91.05479	0.8
94.36964	0.3
96.04472	0.5
96.08138	1.3
97.02902	11.5
97.08936	0.3
98.09701	82.8
99.04464	3.0
99.10023	0.4
101.02384	0.5
103.03953	0.7
105.26725	0.3
107.04944	1.4
109.02882	3.9
109.10165	1.8
110.07171	0.8
110.09673	0.4
111.04440	0.8
111.10474	1.4
111.11717	0.3
112.11259	1.4
113.06046	0.3
113.07121	0.4
114.05531	0.6
115.03957	1.9
119.04964	0.4
120.08092	0.6
125.02380	0.9
127.03922	8.7
129.05489	0.9
129.10287	1.9
133.04987	2.4
136.07587	1.2
137.06012	0.4
138.06618	0.3
138.12801	1.6
140.14349	41.4
145.04980	4.3
147.04401	1.1
147.06526	0.5
155.08148	0.4
158.15413	12.5
187.10876	0.5
216.16011	1.9
255.19170	0.3
278.07166	0.4
320.18588	14.4
321.19055	0.4
338.19644	3.7
364.71884	0.3
458.02875	0.4
619.70087	0.4
628.29755	13.8
646.30713	100.0
647.21198	0.4
647.30896	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.0
55.55563	0.4
57.03444	0.8
57.07067	1.4
67.05498	1.5
69.07079	2.7
70.64011	1.2
71.08640	0.8
79.05486	0.9
81.07073	1.9
83.08630	1.9
91.05509	0.8
93.07032	1.5
95.08591	2.0
97.06508	0.4
97.10188	1.7
105.07055	0.8
107.08621	0.5
109.10165	0.7
115.48330	0.4
119.08585	0.5
121.10149	0.7
133.10110	0.6
135.11699	0.8
153.32315	0.4
287.84860	0.4
311.25903	0.9
333.20471	0.7
334.89444	0.4
335.21967	8.5
335.25919	0.7
391.24536	2.8
645.47058	100.0
646.47510	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	645.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01882	1.3
55.05272	1.7
55.05513	19.5
57.03428	4.6
57.07066	4.8
65.03931	2.5
67.05509	48.5
69.03436	2.2
69.07070	19.2
69.93724	4.7
71.04981	4.3
71.08636	43.4
77.03899	1.2
78.16443	1.0
79.05496	45.4
81.03412	5.7
81.07058	54.7
82.92068	1.1
83.04983	8.2
83.08614	10.8
85.06538	2.0
89.06029	1.4
91.05479	34.2
93.07048	67.9
95.04984	9.1
95.08616	39.5
95.09144	1.0
97.06531	10.6
97.10168	3.2
99.06662	1.5
99.08099	25.9
103.25136	1.1
105.04488	1.4
105.07040	24.5
107.04952	9.2
107.07877	2.1
107.08598	36.1
109.06525	4.3
109.10158	13.5
111.08083	3.5
113.09644	5.0
117.07007	4.0
119.08588	23.9
121.06487	1.9
121.10151	31.7
123.08084	4.8
123.11666	1.4
129.07010	3.5
131.08540	6.9
133.10132	17.0
135.11691	34.8
137.09605	4.4
141.09085	3.0
142.08607	1.5
143.08575	3.1
145.10127	5.3
147.08029	1.4
147.11696	6.6
149.09616	1.2
149.13249	9.2
151.11179	15.6
153.12753	1.6
157.10114	2.2
159.11693	4.0
161.09608	1.9
161.13268	15.1
163.11197	8.1
163.14859	2.7
167.10730	2.6
169.10205	1.2
171.11685	3.0
173.13222	1.8
175.14854	3.0
177.12758	4.5
179.14316	100.0
181.12247	2.3
185.13281	2.2
189.12721	2.4
195.13806	2.3
199.14792	1.7
207.13686	1.4
221.15298	3.1
231.21342	1.5
235.16904	4.3
259.20639	5.3
273.18570	1.9
277.21625	78.2
291.19476	3.1
295.22653	5.0
335.25876	1.4
337.27304	3.1
351.25302	67.6
365.23260	2.4
449.32996	1.3
467.96530	1.2
480.84457	1.3
501.07407	1.2
531.22363	1.1
537.72845	1.3
609.44855	1.5
627.46204	90.0
645.45288	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	643.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.05509	3.2
57.03440	1.3
57.07077	0.8
67.05516	5.0
69.07066	2.6
71.04996	0.5
71.08635	1.8
71.52788	0.6
79.05492	4.8
81.07066	6.4
83.04977	0.7
83.08626	1.5
91.05492	3.9
93.07044	6.0
95.04993	1.1
95.08606	4.1
97.06578	1.5
97.10168	0.9
99.08101	1.6
105.07028	4.1
107.04967	1.0
107.08590	3.2
109.06567	0.6
109.10191	2.6
111.08124	0.7
116.68700	0.5
117.07038	1.1
119.08601	3.3
121.10132	2.0
123.11679	0.7
125.09637	1.0
129.07011	0.7
131.08560	1.8
133.10144	2.0
135.08063	0.6
135.11702	2.1
143.08597	0.7
145.10158	1.8
147.11729	1.3
149.13283	1.2
151.11176	0.9
159.11797	0.9
161.13300	1.0
163.03900	0.7
163.11232	0.6
163.88721	0.5
165.16830	0.6
171.11734	0.5
173.13327	0.8
179.14351	3.4
227.12819	0.5
259.20401	0.6
275.20129	2.2
277.21686	2.3
291.19608	1.0
335.26019	0.5
337.27396	0.9
348.10837	0.6
349.23706	1.2
351.25220	0.9
439.30475	0.5
545.38928	1.2
625.44519	3.8
643.25275	100.0
643.44647	2.5
644.25244	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	643.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.5
55.05499	1.1
63.50865	0.4
67.05504	3.2
69.07059	1.2
70.56093	0.9
70.56441	0.7
79.05495	2.6
81.07055	3.3
83.04972	0.7
83.08603	0.6
86.41188	0.4
91.05498	2.5
91.09658	0.4
92.10503	0.4
93.07026	2.7
95.08607	2.3
97.06507	0.7
99.08081	0.8
105.07063	2.2
107.04951	0.4
107.08572	1.8
109.06512	0.8
109.10162	1.0
110.48334	0.4
114.83656	0.4
117.07047	0.7
119.08549	1.7
119.74989	0.4
121.06526	0.4
121.10107	1.5
129.07034	0.6
131.08578	1.2
133.10088	0.7
135.08031	0.5
135.11613	0.6
137.09605	0.5
144.42831	0.5
145.10114	1.0
147.11713	0.6
156.20978	0.4
157.10132	0.5
159.11659	0.7
163.11157	0.5
185.25647	0.4
186.62903	0.5
189.11122	0.5
227.12802	0.5
273.18515	0.5
323.01047	0.5
335.25897	0.7
365.23270	0.5
396.12231	1.6
397.13013	1.8
398.14029	0.7
409.12875	0.6
410.13727	2.1
411.14633	5.3
412.15283	4.0
413.16116	1.5
423.15097	1.1
424.10855	1.0
424.16278	2.0
425.16360	11.2
426.16910	7.7
427.17563	1.4
428.18646	1.2
437.16403	0.8
438.12415	3.1
439.13651	15.0
440.19156	4.4
441.19296	37.0
442.19495	1.3
444.18146	0.5
451.18240	0.8
452.14233	3.6
453.15320	16.1
454.15845	4.2
457.14685	0.5
463.14322	1.1
465.15778	0.7
466.16867	0.5
467.17184	25.3
468.17896	15.8
469.18854	12.4
478.17017	0.4
479.16760	0.7
480.17410	0.8
481.14819	13.3
482.15268	3.1
482.21768	0.5
485.18436	0.5
494.16129	0.7
495.17148	2.9
496.17078	15.2
497.17798	2.3
508.18832	1.0
509.18155	2.3
512.20392	1.0
513.21436	0.6
514.22668	2.7
522.17657	0.8
523.19714	1.5
527.23499	3.4
540.20068	0.7
542.21606	0.8
555.22443	28.8
556.22595	1.4
568.19257	1.0
583.21930	100.0
584.22253	4.4
586.20898	0.6
587.25110	1.9
611.21716	2.5
615.24591	12.5
616.25159	0.6
625.44128	0.8
643.23944	82.9
644.24023	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	642.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01870	1.2
55.05514	10.4
57.03439	5.9
57.07079	31.1
65.03932	1.1
67.05507	32.1
69.03435	0.6
69.07071	12.3
70.10512	2.0
70.10855	0.5
71.05001	2.2
71.08636	21.7
79.05499	17.4
79.05970	0.6
81.03414	1.7
81.07060	35.6
83.04973	5.1
83.08627	10.9
85.06538	1.6
85.10188	11.8
89.06029	0.9
91.05485	12.6
93.07050	21.0
95.04980	5.0
95.08613	26.7
97.06528	3.1
97.10169	4.7
99.08113	3.3
99.11723	0.8
99.42666	0.5
105.04536	0.5
105.07043	6.8
107.04962	0.6
107.08602	9.9
109.06503	1.7
109.09470	0.9
109.10165	12.3
109.10929	0.6
111.08068	2.5
111.11674	0.9
113.09630	0.8
117.07032	4.9
119.08581	3.5
121.06508	1.3
121.10143	5.7
123.08083	1.1
123.11710	3.9
125.09628	0.8
129.07028	0.7
131.08591	4.6
133.10159	4.5
135.08075	1.4
135.11702	2.9
137.09586	0.6
137.13251	1.6
139.11200	1.5
145.10124	1.4
147.11687	1.8
149.09673	0.6
149.13263	5.2
151.11197	3.7
157.10150	0.9
157.13390	0.5
159.11694	4.0
161.13280	1.7
163.11192	1.8
165.12697	0.6
171.11745	0.7
173.11778	0.9
175.11195	0.6
175.14790	1.2
177.12772	2.1
179.14325	1.5
195.13838	3.5
199.15280	0.5
213.14897	0.5
227.10760	0.4
227.12657	2.3
229.14317	1.0
229.67789	0.4
231.21173	0.7
233.15327	0.6
239.23734	3.6
241.19528	1.0
243.21301	0.5
251.16406	1.0
257.24924	0.7
259.20618	2.4
269.17493	8.7
277.21616	7.5
313.27371	39.7
333.24265	0.9
351.25339	10.8
411.34836	1.0
467.37338	8.4
483.36810	0.8
507.40469	100.0
508.40814	1.2
589.48285	7.7
607.49139	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03936	1.6
54.12181	0.4
55.01870	1.0
55.05268	0.7
55.05513	8.4
57.03438	4.5
57.07080	23.0
61.30215	0.5
65.03933	1.2
67.05507	24.9
68.05837	0.4
69.03432	0.6
69.07071	10.9
69.30076	1.0
69.30476	2.8
71.04984	1.7
71.08634	18.3
74.17867	0.4
79.05495	14.9
81.03415	1.9
81.07059	27.6
83.04990	5.2
83.08623	10.2
85.06554	1.3
85.10188	8.5
89.06042	0.7
91.05480	10.6
93.07047	16.8
95.04980	4.5
95.08610	18.9
97.06535	4.2
97.10174	4.0
98.20764	1.0
99.08087	2.5
103.07569	0.5
105.04558	0.5
105.07035	5.1
107.08605	8.2
109.06510	1.3
109.10162	7.5
111.08073	1.7
111.11740	0.5
115.05419	0.6
117.07017	3.7
119.08576	2.9
119.48923	0.5
121.06488	0.8
121.10152	4.0
123.08052	1.0
123.11738	2.3
125.09632	0.7
129.07001	0.8
131.08563	3.9
133.10143	4.7
135.11708	3.4
136.56654	0.5
137.13272	1.1
139.11215	0.9
143.08640	0.6
145.10202	1.1
147.11665	1.4
149.09618	0.8
149.13231	5.3
151.11169	4.0
157.10239	0.4
159.11694	4.3
161.13281	1.3
163.11147	2.3
165.12773	0.7
173.13324	0.6
173.84702	0.6
175.14836	0.5
177.12720	2.2
177.59805	0.5
179.14334	0.9
185.13216	0.5
195.13799	3.4
213.14853	0.7
227.12788	1.3
231.21040	0.5
233.15393	0.6
239.23756	2.8
241.19577	1.0
251.16432	2.2
255.15637	0.5
257.24850	0.9
259.20639	1.6
269.17496	10.2
277.21667	5.9
294.21521	0.6
295.22421	0.7
313.27374	27.0
334.20129	0.5
341.26990	0.6
351.25305	11.2
403.78989	0.5
410.79147	0.4
411.34848	0.8
467.37326	1.6
491.40964	0.6
507.40472	100.0
508.40726	2.6
589.48260	5.7
607.48590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01867	4.4
55.05512	18.3
57.03432	8.0
57.07077	37.8
59.47224	1.5
61.32330	1.7
61.40838	1.8
61.81470	1.5
66.94682	1.9
67.05508	40.4
69.07062	18.7
69.60619	8.6
71.04969	2.0
71.08636	33.9
74.23937	1.6
74.24352	1.8
79.05494	24.0
81.03414	3.1
81.06594	2.6
81.07058	46.7
83.04964	5.2
83.08622	17.9
85.06541	2.2
85.10186	11.5
85.28398	1.8
91.05479	17.5
93.07049	30.7
95.04951	6.1
95.08613	28.6
97.06514	5.1
97.10168	10.3
99.08067	6.0
105.07031	12.2
107.08598	17.5
109.06487	2.7
109.10163	12.9
111.08055	5.7
117.07012	5.7
119.08568	7.1
121.10136	8.4
123.11696	6.6
125.09625	7.7
131.08575	7.7
133.10112	7.3
135.11685	7.1
139.11203	1.9
145.10072	2.9
146.38359	1.9
147.11629	3.8
149.13266	9.2
151.11191	4.4
151.78015	1.8
159.11710	3.9
161.13188	3.2
162.69820	1.7
165.12802	2.0
167.75272	1.6
177.12796	3.5
179.14345	2.0
181.23918	1.8
189.11263	3.2
195.13779	5.1
227.12801	11.5
239.23624	2.1
241.19214	2.2
259.20468	3.4
269.17465	24.2
277.21616	13.6
295.22519	2.3
313.27383	55.6
314.27740	2.2
333.24142	2.2
351.25314	20.6
411.34619	7.4
463.43967	1.7
467.37201	2.7
483.37097	8.1
491.40460	2.8
507.40460	100.0
589.48657	15.7
643.45123	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	642.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	4.8
57.07081	32.0
59.04994	1.0
67.05507	4.6
69.03435	5.2
69.07084	5.7
69.34766	4.2
69.35174	2.0
71.05000	1.8
71.08639	29.4
72.19973	0.8
73.06566	8.6
79.05485	3.2
81.03423	1.4
81.07059	3.7
83.08634	6.0
84.08144	2.9
85.10190	20.1
87.04480	9.1
89.06037	100.0
91.05494	2.1
93.07035	2.3
95.04955	1.0
95.08599	4.0
97.10178	8.3
99.11724	2.2
105.07030	1.5
107.04941	1.2
107.07079	1.7
107.08608	1.8
109.06535	0.9
109.10155	2.1
110.06912	0.8
111.11717	2.9
112.07631	11.1
113.13278	2.4
117.09129	7.5
119.08587	1.8
121.90826	0.9
124.07641	1.2
125.13286	2.2
127.14806	1.5
130.08656	3.4
131.07036	3.2
133.08617	55.5
135.10155	1.6
136.07547	2.0
139.14836	0.9
140.07072	10.3
141.16374	1.6
142.08563	1.0
150.89687	0.7
155.18001	1.3
157.10173	1.0
158.08144	1.3
161.11743	2.1
175.09685	1.4
177.11237	27.5
196.65825	0.8
209.22310	1.1
211.24254	1.7
221.13817	5.3
239.14880	1.8
244.96010	0.9
248.28767	0.8
255.26839	3.5
265.16464	2.0
267.15955	2.2
283.17584	2.3
288.15964	2.9
299.29459	8.2
309.19125	1.6
309.29343	0.8
313.27472	1.4
313.43164	0.9
327.20206	2.2
337.27356	3.7
343.32126	5.8
362.19571	0.8
371.22549	1.3
383.35489	0.8
415.25262	5.2
432.55667	0.9
467.37372	0.9
529.38739	2.3
624.44537	6.4
625.48914	11.4
642.43982	2.4
642.51300	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
53.86789	0.4
54.00036	0.5
55.01867	4.2
55.05515	5.4
57.03456	2.7
57.07079	13.1
67.05503	7.4
68.39034	0.5
69.07070	5.3
69.87303	2.3
70.18511	0.4
71.08634	9.7
75.08994	0.4
79.05495	4.6
81.07059	28.7
83.04987	2.3
83.08630	4.0
85.06539	0.9
85.10182	4.7
91.05482	1.7
93.07047	3.8
95.08057	0.9
95.08613	10.3
97.06535	0.5
97.10172	1.3
98.21445	0.7
101.09666	0.7
104.51495	0.6
105.07022	2.1
106.64182	0.5
107.08602	4.2
109.06520	9.1
109.10152	4.3
111.03716	0.9
111.04448	14.4
111.08064	0.9
111.11591	0.5
117.74818	0.6
119.08589	4.0
121.10155	3.9
123.08064	1.1
123.11702	2.7
125.06001	3.9
130.24469	0.5
131.08562	1.5
133.10143	3.8
135.08054	2.4
135.11693	3.8
137.05981	100.0
137.13245	1.5
142.07610	0.5
143.08553	1.1
145.10184	1.6
147.08041	1.4
147.11717	5.1
149.09608	3.3
149.13248	1.6
151.07561	2.5
151.11189	1.6
157.10139	1.8
159.11754	1.4
161.09607	5.0
161.13254	2.8
163.11179	3.0
163.14819	0.9
165.09137	1.8
167.10620	0.6
171.11748	0.8
173.13257	1.0
175.11197	4.9
175.14795	1.2
177.12723	0.6
179.10732	1.5
189.12775	0.8
193.12346	0.9
203.14355	0.7
203.17923	4.9
213.16423	2.2
221.19008	1.7
231.17436	6.0
239.84943	0.5
241.15961	1.2
249.18518	4.5
257.24677	0.7
277.18002	41.5
295.19049	6.5
313.27377	27.7
351.21680	17.2
351.25949	1.1
369.22504	1.1
589.44629	68.8
590.45007	1.2
592.07745	0.7
607.46088	4.0
643.45459	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	642.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01867	1.5
55.05516	5.7
57.03430	1.9
57.07055	0.5
61.02931	2.9
61.49703	0.4
65.03928	1.0
65.23569	0.4
67.05507	15.5
68.25266	0.4
69.03419	1.1
69.07066	4.8
69.45245	3.2
69.94522	0.4
70.06597	0.5
71.04997	1.4
71.08638	0.4
73.02901	0.6
79.05489	13.0
81.03414	1.3
81.07055	14.6
83.04980	1.4
83.08611	3.4
85.02908	2.8
85.06546	1.1
90.58546	0.4
91.03956	1.6
91.05479	15.2
93.07043	13.0
95.04949	2.0
95.08610	11.8
97.02883	1.3
97.06519	2.3
97.10178	1.7
103.05507	0.5
105.07031	18.6
107.04955	1.1
107.08599	7.3
109.06511	1.9
109.10162	4.4
110.44466	0.4
111.08106	0.8
115.05444	1.1
117.07017	9.6
119.08578	11.8
121.06494	2.4
121.10146	4.7
121.11475	0.4
123.08066	1.6
123.11750	0.7
125.09608	0.7
128.06248	0.9
129.07007	6.6
131.08565	14.2
133.06459	1.0
133.10117	7.1
135.08069	1.7
135.11734	2.4
137.09627	1.0
138.09088	0.9
141.06981	2.6
142.07773	1.0
143.08569	7.1
145.06464	0.5
145.10121	9.4
147.08017	1.7
147.11699	2.5
149.09647	1.5
149.13284	0.6
155.08517	3.2
157.10126	4.5
159.08015	0.7
159.11699	4.6
161.09618	1.5
161.13239	1.0
163.11223	0.4
164.59787	0.4
167.08540	1.1
169.10103	4.1
171.11710	3.6
173.09592	0.9
173.13280	1.8
175.11116	0.5
177.12698	0.5
181.10126	1.9
183.11723	2.4
185.09651	0.6
185.13258	3.2
187.11143	0.4
187.14856	1.7
189.12740	0.6
195.11670	1.7
197.13257	1.9
199.11186	0.7
199.14851	1.1
201.12761	0.7
209.13240	1.1
211.14775	1.5
213.12805	0.7
213.16473	0.5
215.14417	0.9
217.15935	0.7
219.13838	0.4
223.14862	1.1
225.16412	0.7
227.14392	0.8
231.17636	0.6
235.16983	0.5
247.16962	1.3
255.17667	0.5
259.17007	0.8
261.18509	1.3
275.20032	1.0
276.20386	0.6
325.25339	0.8
335.23279	0.8
343.26260	2.0
353.24683	4.2
371.25821	4.9
389.26758	4.6
427.28616	0.8
445.29483	100.0
446.29691	1.5
463.30521	20.5
464.31192	0.5
501.03848	0.5
624.43158	0.7
642.43787	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	641.1719
Annotation	Isorhamnetin 3-laminaribioside
Peak:m/z	Relative Intensity
53.03961	0.3
55.01899	0.3
56.05055	0.3
57.03440	0.6
60.04516	0.1
61.02931	1.1
65.03969	0.1
65.10725	0.1
68.05036	0.1
68.99810	0.1
69.03437	2.5
70.06599	2.7
71.05023	0.3
71.06953	0.1
72.08177	0.4
73.02947	0.3
74.06082	0.2
78.97205	0.1
81.03423	1.2
83.01375	0.1
84.04507	0.5
84.08148	1.8
84.08614	0.1
85.02911	6.7
85.08493	0.1
86.06094	0.2
86.09712	0.5
87.04496	0.3
87.05621	0.1
88.04028	0.1
88.07715	0.1
91.03961	0.5
91.05513	0.2
92.02655	0.3
93.03410	0.7
97.02898	2.3
97.03524	0.1
98.09721	0.3
99.04462	0.4
102.05574	0.2
109.02885	0.8
110.07172	0.4
110.09655	0.1
111.00858	0.2
112.08777	0.1
115.03940	0.1
115.08699	0.2
117.14997	0.1
120.08152	0.2
121.02886	0.8
126.03146	0.3
127.03929	1.4
127.04839	0.1
129.10284	0.6
131.04965	0.1
136.07608	0.4
137.02371	0.3
138.06673	0.1
138.44217	0.1
139.03917	0.8
140.14441	0.1
145.04958	1.2
147.04448	0.1
151.03908	0.8
153.01837	4.6
155.08325	0.1
163.03917	0.2
165.01878	0.6
176.04837	0.1
177.05530	0.3
181.06085	0.1
183.02950	0.2
201.05540	0.4
203.03352	0.2
217.05031	0.3
217.08237	0.2
218.05804	0.4
228.04170	0.9
229.04979	2.1
231.02904	0.3
239.03409	0.1
243.06682	0.1
245.04515	0.6
246.05276	1.3
256.03760	0.2
257.04483	1.9
260.03165	0.3
261.07626	0.2
271.06076	0.2
273.03922	1.3
274.04742	3.7
284.03256	0.5
285.03961	3.8
286.04755	0.2
287.02216	0.1
288.06216	0.2
301.03497	0.2
302.04236	12.7
303.04578	0.1
317.06573	100.0
318.06976	0.9
359.07574	0.2
403.55975	0.1
479.11868	10.0
480.11996	0.1
500.04309	0.1
640.86578	0.1
641.07489	0.1
643.59961	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	640.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01881	2.4
55.05516	24.6
57.03442	5.8
57.07079	10.8
65.03941	1.6
67.05509	22.8
69.07072	30.3
71.04996	2.2
71.08641	8.8
79.05499	16.6
79.71319	0.4
81.03426	2.8
81.07062	24.6
83.04981	5.7
83.08624	24.1
85.06521	1.2
85.10178	2.3
87.04465	0.5
89.06047	2.4
91.05485	12.4
91.06030	0.9
93.07050	21.2
93.07642	1.0
95.04980	5.1
95.08607	11.6
97.06532	5.1
97.10175	16.0
99.08104	2.5
105.04478	0.6
105.07037	6.6
107.04987	0.9
107.08598	10.2
109.06504	1.4
109.10155	3.9
111.08089	1.9
111.11722	4.0
117.07024	5.7
119.08588	3.2
121.06499	0.7
121.10163	6.3
123.08039	0.7
123.11697	1.2
125.09635	1.4
125.13262	1.0
129.07040	1.1
131.08591	4.4
133.08621	1.0
133.10129	5.0
135.11690	4.8
139.11203	1.6
145.10138	1.9
147.11710	2.2
149.09680	1.1
149.13246	5.7
151.11188	3.5
153.12772	0.7
157.10147	0.7
159.11714	4.5
161.13286	1.3
163.11221	1.8
163.14784	0.7
165.12746	0.7
171.11732	0.6
175.14769	0.8
177.12799	1.5
179.14388	0.9
187.14940	0.6
195.13815	3.0
195.80006	0.6
205.10080	0.5
213.14853	0.6
219.21292	0.7
227.12831	0.8
237.22078	2.6
241.19531	0.8
251.16492	1.6
259.20605	2.0
269.17480	7.3
275.20074	1.1
277.21588	6.5
295.22510	0.8
311.25833	28.0
313.27338	2.1
345.95676	0.6
349.23856	0.9
351.25296	9.8
369.26541	0.8
413.34436	0.6
442.36713	0.5
448.04257	0.5
465.35358	1.0
505.38919	100.0
506.39059	1.6
507.40338	1.6
587.46704	11.3
605.47961	1.2
640.48175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
55.05503	0.8
57.07080	0.4
67.05493	1.2
69.07061	0.7
69.18301	0.9
69.18710	3.2
70.86810	0.3
73.19578	0.3
77.59026	0.3
79.05487	1.6
81.07056	1.5
83.01115	0.9
83.04992	0.4
83.60221	0.3
91.05473	1.3
92.22233	0.3
93.07037	1.1
95.04955	0.5
95.08597	1.2
95.40515	0.4
97.06522	0.4
98.03475	0.3
105.07030	1.0
107.08582	0.4
109.06538	0.4
109.10170	0.6
111.04212	2.5
119.08622	0.6
121.10136	0.5
125.29717	0.4
127.03719	2.7
129.07025	0.7
131.08621	0.5
133.09187	0.4
133.10132	0.6
135.08144	0.3
136.42491	0.4
141.05183	0.3
143.08568	0.4
147.11731	0.6
155.06801	2.6
171.06308	2.1
180.62894	0.4
183.10010	0.5
185.07933	0.5
199.09427	3.3
201.07222	0.4
204.10234	1.7
205.10559	1.3
210.05698	0.4
215.08923	1.6
227.12729	0.5
243.12111	1.4
271.15298	0.6
275.20041	0.8
285.53271	0.3
287.14633	2.0
303.14282	0.7
304.28235	0.4
331.17444	0.5
375.19815	0.8
391.19397	0.9
513.26117	0.4
553.29865	5.1
597.28253	0.5
639.40778	100.0
640.41138	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	639.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	17.4
54.75224	2.6
55.01879	17.0
55.05515	35.2
57.03440	14.7
57.16002	2.5
59.04998	5.4
65.03949	5.4
67.05509	100.0
69.03084	4.1
69.03426	45.9
69.07068	28.0
70.06557	3.6
70.63599	6.1
70.63960	5.6
71.01332	4.3
71.04994	13.6
73.02902	5.7
79.05497	63.1
81.03423	92.9
81.07058	93.0
83.01347	4.0
83.04990	23.6
83.08620	21.8
85.02908	20.2
85.06532	7.6
87.04443	3.3
91.03964	2.8
91.05486	52.4
93.07049	66.7
95.04963	16.7
95.08604	37.3
97.02901	37.3
97.06554	16.8
97.10155	14.7
99.04454	11.3
99.08108	5.1
105.04516	3.4
105.07030	26.0
107.04978	24.7
107.08599	40.6
109.02872	34.5
109.06531	7.3
109.10146	29.0
111.04427	14.2
111.08085	8.4
117.07020	15.7
119.08599	28.4
121.06521	9.1
121.10146	31.2
123.04426	3.3
123.08079	11.6
123.11742	3.6
124.74060	2.5
125.09640	13.2
127.03915	23.5
129.07027	8.8
131.04909	3.5
131.08588	17.7
133.06451	3.1
133.10095	19.1
135.08055	5.9
135.11707	20.0
137.05865	3.1
137.09599	5.6
143.08627	6.6
145.06451	4.3
145.10106	15.3
147.08046	3.9
147.11719	12.7
149.09645	5.7
149.13290	18.4
151.11182	3.6
153.12798	8.2
155.08563	6.7
157.10095	5.0
159.11682	11.6
161.09673	5.6
163.11200	27.4
165.12807	3.1
171.08037	4.3
173.04486	37.3
173.09637	5.3
173.11760	7.4
173.13191	4.8
177.12813	4.2
181.12210	8.2
183.06470	5.7
187.11145	4.0
189.11340	3.2
191.10706	12.0
193.12212	2.8
195.13792	14.7
209.11719	28.7
227.12793	25.7
229.14320	7.6
253.18057	2.8
261.14905	2.8
265.14386	6.9
267.15878	3.3
269.17447	23.0
273.15109	3.5
275.19833	2.5
281.13733	3.1
283.15399	11.9
303.16016	3.7
339.18057	4.1
353.15958	9.3
371.16611	3.6
409.18655	5.1
423.22379	3.2
423.27151	14.3
427.19589	11.1
449.28995	6.5
459.27469	12.3
477.28430	25.7
495.29639	11.0
512.26855	3.4
602.51654	3.1
603.31226	7.1
621.32794	24.2
639.33551	82.6
639.43842	4.7
641.39185	3.0
651.60327	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	639.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	12.8
55.01870	11.9
55.05513	43.5
57.03427	11.0
59.48528	2.2
61.02905	5.9
65.03947	3.7
67.05506	73.1
69.03429	20.9
69.03751	4.1
69.07066	22.1
69.69784	7.7
69.70210	7.7
70.06592	10.0
71.04997	11.7
73.02926	4.4
73.50033	2.5
73.87996	2.3
79.05494	59.5
81.03417	47.6
81.07056	72.8
83.04982	14.3
83.08619	29.1
84.04476	3.0
84.08150	6.6
85.02917	19.9
85.06524	5.9
86.09729	2.8
91.03941	4.7
91.05483	49.1
93.07047	46.6
93.42417	2.2
95.04967	14.5
95.08601	25.5
97.02897	24.1
97.06529	9.1
97.10166	24.4
98.09660	2.6
98.21539	2.8
99.04446	6.6
100.99387	2.4
101.02351	3.0
101.76806	2.4
103.05507	11.6
105.07032	39.1
107.04977	16.5
107.08590	36.7
109.02870	15.4
109.06489	6.2
109.10160	31.1
110.07174	3.5
111.04449	10.5
111.08077	9.1
115.05471	8.3
117.07019	48.4
119.04928	5.2
119.08598	25.1
120.08044	3.9
121.06521	12.8
121.10146	19.5
123.08072	7.8
123.11671	3.3
125.09620	27.2
127.03915	12.5
128.06212	5.8
129.07011	24.3
129.10280	2.3
131.04964	3.9
131.08580	33.3
133.06494	8.7
133.10110	16.9
135.08063	10.1
135.11697	12.1
137.09613	2.7
140.98795	2.3
141.07027	10.3
142.07774	3.6
143.08578	12.7
145.06494	10.6
145.10162	18.2
147.04445	3.0
147.08087	5.8
147.11710	7.2
149.05951	2.8
149.09605	7.3
149.13261	9.9
151.07617	2.7
153.12718	4.6
155.08571	8.7
157.06445	3.0
157.10098	7.3
159.07944	3.4
159.11668	8.0
163.11197	10.7
165.12753	2.7
167.08543	3.2
169.10147	6.0
171.08052	3.8
171.11676	7.5
173.04498	12.0
173.09653	7.4
173.11760	5.1
177.12685	2.6
181.12274	4.4
183.11678	2.5
185.13281	6.1
187.14876	5.7
189.11214	13.5
189.12715	5.6
191.10712	5.8
193.12259	5.5
195.11784	5.9
195.13773	5.2
197.13281	11.2
199.11227	2.8
203.14330	2.8
209.11714	18.4
209.13347	3.4
213.12762	9.7
215.14293	33.4
227.12746	31.3
229.14410	11.4
230.15291	2.7
231.13795	8.6
233.15443	5.4
241.16037	3.2
245.13794	4.8
253.18135	2.6
265.14276	3.8
269.17578	12.3
271.17264	3.6
273.14633	2.6
283.15402	10.7
305.17520	7.2
339.17953	3.8
349.21616	4.6
353.15997	4.5
367.22620	14.1
385.23856	15.7
403.24695	5.5
413.21417	3.2
427.19714	5.3
441.26419	46.7
459.27429	100.0
477.28473	42.0
495.29175	8.0
603.31543	5.8
621.32721	17.7
624.97382	2.6
639.24640	3.2
639.33698	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18569	0.2
55.01867	0.6
55.05511	0.7
56.05037	3.2
57.03423	0.7
60.04508	0.5
60.05635	0.4
61.02927	0.3
67.05499	0.7
68.05035	1.5
69.03418	0.9
69.07053	0.2
70.02953	0.8
70.06594	7.6
71.01359	0.2
71.06934	0.4
71.52181	0.2
72.08142	1.7
73.02916	0.7
74.06082	0.9
79.05508	0.3
81.03390	0.3
82.06573	0.8
83.06132	0.2
84.04514	1.7
84.08144	86.1
85.02912	1.7
85.04028	4.1
85.06528	0.3
85.07666	0.3
85.08485	0.8
86.06073	2.5
86.09708	7.8
87.05589	0.4
88.03992	1.6
91.05479	2.6
93.07004	0.2
94.06555	0.2
95.06071	0.4
96.04460	0.3
96.08136	0.5
97.02876	0.8
97.06491	0.2
98.02422	0.5
98.03262	0.2
98.06030	0.4
98.09715	1.0
101.07147	0.5
101.10783	2.2
102.05535	0.7
102.09195	0.3
107.04967	2.1
110.06053	0.2
110.07160	1.7
111.09213	1.5
112.07619	0.4
113.07112	0.3
114.05540	0.2
115.03950	0.5
115.08734	0.3
116.07106	0.3
118.06532	0.3
119.04958	2.6
119.05809	0.3
120.06625	0.3
120.08098	1.3
121.02845	0.2
121.06562	0.4
127.03899	0.3
127.08684	0.5
129.10242	100.0
130.10611	0.4
133.05000	0.7
133.06480	0.3
134.06046	0.3
135.06819	2.5
136.07579	18.8
137.06033	0.3
137.07031	0.3
137.07979	0.3
138.06642	0.6
138.12941	0.2
139.08682	0.7
140.10677	0.2
140.14363	0.6
141.10233	0.5
145.06189	0.3
146.06004	6.2
146.07098	0.3
147.04395	1.4
147.07697	0.3
151.08669	0.3
152.14365	0.8
155.08147	0.8
160.07611	2.1
163.08707	0.4
164.07059	0.4
166.08603	0.3
167.11858	0.4
169.13321	0.2
181.09735	0.3
187.10838	0.5
188.07056	2.3
191.08182	1.7
192.11508	0.2
195.14992	0.4
196.10852	0.9
197.16467	2.5
202.12245	0.3
205.09856	0.4
206.08101	2.2
207.15038	0.7
213.12341	1.0
214.19186	0.3
215.13998	0.3
223.11935	0.3
224.17625	2.0
225.15994	0.4
233.09189	1.3
233.14911	0.5
234.07661	0.6
241.15443	0.3
242.18581	1.5
247.14424	0.4
251.10269	9.7
252.16852	0.3
260.19617	0.2
261.08759	0.3
266.11606	0.3
270.18161	1.0
275.13943	0.4
279.09836	1.3
284.16232	0.3
292.16550	2.3
302.15021	0.9
344.16312	0.4
361.24448	4.9
387.24167	0.6
389.18152	2.4
405.25018	1.1
407.19266	6.9
433.24347	0.7
492.28238	0.8
502.26617	5.2
503.25143	0.3
520.27686	21.7
521.27826	0.3
524.30847	3.3
532.86169	0.3
560.09192	0.3
573.79517	0.3
621.32684	1.9
638.82166	0.5
639.33508	22.3
640.33557	0.5
661.83917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.01878	5.5
55.05515	46.8
57.03438	13.6
57.07076	19.3
61.78297	1.9
67.05507	50.9
69.03442	3.3
69.07069	63.1
71.04971	2.4
71.08640	17.8
71.36975	2.9
71.37308	2.0
73.02918	2.5
73.06522	1.9
79.05492	36.3
81.07058	56.0
83.04988	9.2
83.08617	47.6
85.06514	2.2
85.10185	4.8
89.06033	8.1
91.05484	35.8
93.07044	39.4
95.04978	7.4
95.08610	26.6
97.06509	11.8
97.10162	33.9
105.04508	2.5
105.07031	21.5
107.04966	5.6
107.08584	24.0
109.06533	3.9
109.10144	13.9
111.08095	4.5
111.11722	7.4
117.07019	14.2
119.08573	18.3
121.06517	3.9
121.10144	17.9
123.08125	3.9
125.09628	3.9
129.07031	3.5
131.08583	12.1
133.08598	3.3
133.10132	13.4
135.08018	2.8
135.11710	15.9
143.08553	3.8
143.82390	2.1
145.10109	10.2
147.11716	8.8
149.09613	6.5
149.13261	8.1
151.11214	2.3
157.10144	3.4
159.11736	9.4
163.11195	4.8
171.11659	4.4
173.13214	4.0
177.11259	2.4
177.12770	2.6
195.13806	4.5
199.14740	2.4
210.69768	1.8
212.71915	1.9
219.21007	2.5
227.12808	3.8
229.14381	2.4
229.19478	2.9
237.22113	5.3
239.17882	2.2
251.16434	1.9
255.15921	6.8
255.54355	2.0
257.19025	6.6
267.16132	2.2
269.17627	13.2
273.18420	2.3
275.19998	19.4
311.25793	72.0
316.40698	2.4
331.22516	3.3
349.23816	20.4
465.35736	3.7
491.37408	31.8
505.38895	100.0
585.45215	20.2
603.46271	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	636.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
57.03420	0.3
57.97664	0.2
60.98259	0.2
64.49931	0.2
67.05499	1.6
69.03416	0.4
69.07049	0.8
70.06590	0.4
71.04989	0.2
71.52177	0.2
71.52615	0.3
79.05466	0.5
81.03400	0.2
81.07060	1.3
91.05470	0.5
92.93781	0.2
93.07063	0.3
93.54176	0.2
95.08582	0.9
98.98458	2.6
105.07022	0.4
107.08546	0.3
109.10154	0.6
117.07021	0.3
118.06518	1.1
119.08596	0.2
125.00007	7.0
126.25085	0.2
131.07248	0.2
132.08067	0.4
133.08749	0.2
133.10091	0.5
138.31065	0.2
144.08080	8.5
145.08871	0.3
146.09604	0.3
158.09659	3.6
159.10397	1.6
160.11227	0.6
162.09091	0.3
172.11220	2.9
173.12003	0.5
176.14349	10.6
184.07318	0.3
195.81139	0.2
202.15906	91.4
203.16316	0.6
220.15274	0.1
220.16957	9.1
300.13586	100.0
301.13989	0.6
397.21771	0.2
618.39075	1.1
636.40442	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	634.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
54.06259	0.6
55.05503	1.6
56.07640	0.6
57.07079	23.6
58.30410	0.7
60.05853	0.6
65.87364	0.7
66.96552	0.7
67.05487	0.7
69.03424	1.3
69.07053	1.7
71.08634	43.3
73.06570	2.3
75.06441	0.7
81.07056	0.6
85.09657	1.0
85.10186	24.0
87.04472	16.3
89.06036	100.0
91.05476	11.7
91.07596	0.8
93.07048	4.8
95.04956	1.9
95.08621	1.3
103.05475	1.4
105.07041	4.1
107.04962	3.2
107.07069	1.8
107.08618	2.4
117.07024	2.2
117.09151	1.1
118.07815	0.9
119.04977	2.5
119.08569	4.2
121.06509	23.4
121.10139	1.4
123.08076	0.9
127.14856	2.6
130.08643	1.7
131.07047	9.9
131.08562	1.5
133.08612	66.7
135.08078	4.4
135.11687	1.8
145.10115	1.4
147.08044	10.7
149.09648	4.6
149.13324	1.1
150.06769	1.4
154.04196	0.6
159.11736	0.9
163.11230	2.9
165.09122	10.0
167.10715	1.5
175.09656	5.5
177.09682	1.5
177.11241	30.0
191.10696	2.6
191.14352	0.9
193.12253	0.8
194.12746	0.7
209.11714	4.8
211.13300	3.2
221.13861	5.8
235.13365	2.6
247.20601	15.9
253.14439	1.4
255.16003	2.2
265.16568	2.2
273.22238	3.2
278.27640	0.6
279.16000	2.0
283.17606	1.1
289.25159	1.0
291.23221	31.5
299.18701	1.4
303.46024	0.7
309.19131	2.1
317.24771	3.0
335.25870	9.4
353.21713	1.1
359.20645	1.7
403.23260	1.3
447.25635	1.2
450.16498	0.7
485.34692	1.1
491.28568	7.8
573.39752	1.4
617.42596	18.9
634.45313	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	633.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.7
51.93021	0.6
53.03948	3.2
55.01884	4.6
55.05515	20.0
57.03439	5.5
57.07071	2.4
59.05005	3.5
65.03944	4.7
67.05507	100.0
69.03432	32.4
69.06723	1.3
69.07073	13.1
69.22306	0.9
69.22711	5.9
71.01368	0.8
71.04987	6.1
71.08626	0.7
73.02924	0.9
77.03925	0.7
79.05495	32.1
81.03421	22.8
81.07059	42.1
83.04984	8.1
83.08620	10.1
85.02907	4.8
85.06545	4.3
87.04469	0.9
91.05482	31.9
93.07045	33.0
95.04971	10.0
95.08608	28.2
97.02892	6.1
97.06542	3.9
97.10178	6.5
99.04472	2.2
99.08110	1.2
103.04008	0.9
103.05444	1.3
103.55034	0.8
105.04527	2.7
105.07033	24.9
107.04955	4.6
107.07884	1.5
107.08595	21.7
109.02882	4.3
109.06531	6.9
109.10160	57.4
111.04458	6.4
111.08054	4.8
113.02361	0.7
113.06049	2.0
115.05473	1.2
116.06180	0.8
117.07027	13.5
119.05031	0.9
119.08588	23.4
121.06487	4.1
121.10148	13.6
122.10515	0.9
123.04461	2.4
123.08070	4.7
123.11736	2.9
125.09632	5.3
127.03900	4.3
128.06230	2.8
129.05547	1.4
129.06999	7.8
129.07793	0.7
130.07794	1.2
131.04968	1.0
131.08572	18.2
133.06523	3.8
133.10136	12.7
133.11095	0.9
135.08070	4.1
135.11694	8.3
137.06018	1.4
137.09595	5.3
139.07574	0.9
139.11221	2.1
141.07050	2.3
142.07806	1.7
143.08559	7.4
144.09340	1.0
145.06462	4.1
145.10130	13.5
147.08040	4.4
147.11690	8.6
149.05992	1.6
149.09605	4.2
149.13272	4.8
151.07561	1.2
151.11214	1.7
153.09151	1.3
155.08548	4.7
155.10718	2.8
157.06575	1.3
157.10121	7.6
159.08113	2.6
159.11690	9.8
161.06139	1.1
161.09659	3.1
161.13245	4.9
163.07466	0.7
163.11209	2.5
163.14804	1.5
165.07022	1.2
165.09160	1.4
165.12845	0.9
167.08636	2.9
167.10780	1.0
168.09125	0.7
169.08980	0.7
169.10104	4.2
171.08098	1.9
171.10307	1.3
171.11668	6.2
173.09682	2.4
173.11774	14.5
173.13307	6.4
175.11168	4.2
175.14864	1.5
177.12808	0.7
179.08630	0.8
179.10712	0.8
181.10068	1.4
181.12331	1.4
183.08052	1.0
183.11722	3.1
185.09688	2.6
185.13245	5.2
187.11237	1.6
187.14880	1.9
189.09406	0.7
189.11237	2.9
189.12817	2.1
189.16460	1.6
191.10703	1.4
191.14366	1.2
193.10204	1.3
193.12216	1.0
195.11662	3.6
197.09763	1.0
197.13312	3.1
199.11104	1.6
199.14902	2.4
201.12773	2.1
201.16475	0.9
203.14281	1.5
205.12181	1.1
207.11771	1.3
207.13716	1.0
209.11649	1.1
209.13419	1.6
211.11143	1.3
211.14882	2.0
213.12953	1.7
213.14774	0.9
215.14436	1.5
217.15984	0.9
221.13409	1.5
221.15346	1.4
223.14964	1.3
225.12808	1.0
227.12799	2.0
227.14656	0.8
229.14320	21.1
231.13725	1.0
233.15503	0.8
239.14427	1.3
241.19585	1.0
241.83408	0.9
245.13867	0.9
255.17863	0.8
257.18829	0.8
259.20676	2.6
261.22314	2.3
269.18967	0.7
271.20624	1.3
273.22241	1.2
275.20193	0.9
277.21796	3.4
283.20520	1.1
287.20123	1.1
289.18430	0.8
289.21796	2.0
291.23416	1.5
297.22250	1.1
299.14999	2.7
299.20007	1.0
301.21616	7.1
303.23190	1.6
309.22281	1.1
313.21796	1.0
315.23129	2.4
317.24716	1.4
319.22791	2.6
327.23291	2.5
331.22507	1.0
335.26083	1.3
339.23230	1.2
341.24805	2.8
343.22763	1.0
345.24023	0.9
351.23080	6.5
353.24716	1.1
355.17590	2.6
357.24265	1.0
359.26062	0.9
363.25476	0.9
369.24307	11.2
371.25873	1.4
384.35547	0.8
387.25266	6.0
389.27133	1.1
393.26282	1.6
405.26385	2.0
425.26889	1.6
427.28418	1.1
443.27930	4.3
445.51807	0.7
461.28915	8.6
461.45245	0.8
489.35556	1.5
505.34232	1.0
529.35535	1.2
559.36621	0.9
573.38190	0.8
585.37891	1.4
597.37878	6.4
603.38812	0.9
615.38922	11.7
633.39923	60.1
634.39978	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67709	1.4
53.03928	3.2
55.01861	3.7
55.05274	1.8
55.05512	23.2
57.03444	7.8
57.07062	6.1
65.03930	2.6
67.05508	62.1
69.07068	29.3
71.04971	1.8
71.08638	27.3
79.05497	44.4
81.03415	4.3
81.07059	70.3
83.04974	7.8
83.08627	13.2
85.06531	1.9
91.05487	31.0
93.06494	2.8
93.07047	49.7
95.04950	6.6
95.08608	61.3
97.06519	6.7
97.10157	5.0
99.08096	17.3
103.94749	1.5
105.07037	19.1
107.04946	5.1
107.08601	28.9
107.09766	1.5
109.06503	3.3
109.10175	16.0
111.08064	3.0
113.09630	2.8
117.01744	1.5
117.07012	3.8
119.08597	13.6
121.10156	21.3
123.08047	2.3
123.11706	4.7
131.08553	3.6
133.10153	11.8
135.11697	29.4
136.55240	1.6
137.09653	2.1
139.11223	2.2
145.10156	3.9
147.11674	4.0
149.13222	9.2
151.11208	9.2
159.11673	4.3
161.13284	9.8
163.11214	4.0
163.14812	3.9
167.10640	3.2
175.14793	2.3
177.12791	3.6
179.14325	79.6
200.43571	1.4
221.15439	2.7
235.16910	2.6
236.60336	1.5
241.19643	2.0
259.20435	2.0
277.21625	59.5
280.51581	1.7
293.21103	5.0
295.22595	3.6
335.25922	3.8
337.27368	71.1
351.21771	2.2
351.25372	22.9
367.46451	1.6
407.37238	1.8
440.05060	1.7
613.48279	100.0
614.47980	2.6
631.48431	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	631.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01865	4.9
55.05511	9.1
57.03438	1.7
57.07067	2.0
67.05508	22.8
69.06734	0.8
69.07072	9.0
69.26501	3.2
69.26923	2.6
71.08646	1.2
77.48911	0.7
79.05499	12.1
81.07062	43.6
83.04984	3.4
83.08614	4.0
91.05492	7.4
93.07046	10.8
94.65393	0.6
95.05003	1.0
95.08612	20.6
97.06535	2.4
97.10157	1.2
98.21548	1.4
99.48758	0.6
105.07037	5.7
106.89571	0.7
107.08601	9.2
109.06521	10.0
109.10170	8.3
109.88320	0.6
111.04445	15.2
111.08075	1.5
117.07019	1.2
119.08588	6.7
121.06522	0.6
121.10152	8.0
123.08066	2.7
123.11743	3.1
125.05978	5.0
129.07011	0.8
131.08578	2.7
133.10133	6.8
135.08069	3.0
135.11723	6.3
137.05984	100.0
137.09615	1.7
137.13254	3.1
143.08580	2.7
145.10179	2.2
147.08054	1.7
147.11691	8.7
149.09618	4.4
149.13271	2.2
151.07500	3.7
151.11200	1.5
153.09096	0.8
157.10112	3.1
159.11662	1.6
160.12347	0.6
161.09641	5.8
161.13268	3.4
163.11176	4.2
163.14786	2.1
165.09120	2.7
165.12740	1.2
171.11682	1.3
173.13284	1.4
175.11214	5.2
175.14825	2.0
177.12785	0.9
179.10683	2.1
181.12215	0.9
181.98216	0.6
189.12740	1.6
193.12248	1.1
195.00490	0.7
203.14328	0.7
203.17976	5.8
205.19554	0.7
213.16234	3.2
221.19035	2.4
231.17461	7.3
241.15941	1.3
249.18497	11.5
261.22287	1.1
277.18005	82.5
279.20084	1.1
279.23245	2.6
295.19070	12.0
311.55835	0.7
335.25790	0.9
337.27371	27.9
351.21646	15.9
351.25854	1.1
413.81439	0.7
424.05850	0.7
613.44629	33.4
631.45758	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	631.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.2
55.05511	21.2
57.03432	4.5
57.07063	11.0
59.04991	10.5
65.41817	2.0
67.05508	30.1
69.03423	22.9
69.07076	19.9
69.95243	8.6
70.06596	2.5
71.04983	7.7
72.22731	2.5
77.03942	2.8
79.05493	38.2
81.03404	5.3
81.07062	39.9
82.99169	2.0
83.04989	19.4
83.08624	17.9
85.06531	11.2
87.04488	3.0
91.05488	53.6
91.96442	2.1
93.06484	3.9
93.07050	65.8
94.55694	2.2
95.04973	31.4
95.08617	37.1
97.06532	16.6
97.10147	2.9
99.04461	5.6
99.08119	2.5
103.05441	3.0
105.07037	67.7
107.04948	9.1
107.08601	56.4
109.06519	29.5
109.10155	26.2
111.04438	5.5
111.08073	8.3
111.11730	3.0
111.53078	2.8
113.09635	5.2
115.05455	7.4
116.06223	2.9
117.07034	22.0
119.04933	4.7
119.08588	65.3
121.06506	26.2
121.10148	61.7
123.04389	3.9
123.08080	34.5
123.11713	7.1
125.05980	10.1
125.09625	14.2
128.06224	11.1
129.07007	19.4
130.07793	7.6
131.08553	44.6
133.06546	15.1
133.10135	43.9
135.04413	3.8
135.07108	3.7
135.08058	32.6
135.11668	11.7
137.05986	5.2
137.09622	16.6
139.07581	3.6
139.11172	5.7
141.06966	12.6
142.07805	17.7
143.08575	34.8
144.09338	4.7
145.06480	12.5
145.10138	49.0
146.07274	2.5
147.08049	30.1
147.11702	15.2
149.05887	3.0
149.09619	32.5
149.13266	2.8
151.07541	44.5
151.11214	4.3
153.07002	6.7
153.09081	5.5
154.07709	4.1
155.08565	18.7
155.10635	5.7
156.09363	17.7
157.10136	42.5
158.07320	4.2
158.10895	6.5
159.08052	30.8
159.11700	29.0
160.08885	2.5
161.09616	22.2
161.13257	6.5
163.07585	7.2
163.11232	16.2
165.06987	6.4
165.09119	27.3
166.07733	3.1
167.07175	3.4
167.08554	10.5
167.10693	51.7
168.09354	5.4
169.10126	22.3
170.10889	10.3
171.08069	8.7
171.11732	25.5
172.08786	5.1
172.12520	2.7
173.09630	29.0
173.13278	22.9
175.07590	5.3
175.11198	16.2
175.14857	6.5
177.09085	10.0
177.12759	4.2
179.08554	10.5
179.10768	2.8
180.09393	8.2
181.10161	19.7
181.12206	17.4
182.10931	10.3
183.08047	3.6
183.11682	17.7
184.12419	2.5
185.09634	15.8
185.13258	13.4
187.07556	4.4
187.11218	11.9
187.14835	14.7
189.09106	7.1
189.12721	24.3
189.16487	2.8
191.14296	7.7
193.10172	10.5
194.10880	7.5
195.08119	3.5
195.11716	17.7
196.12517	4.2
197.09631	8.9
197.13254	15.5
198.10408	4.0
199.11177	24.9
199.12747	2.9
199.14752	14.6
200.11961	4.4
201.09074	9.1
201.12778	8.9
201.16385	2.7
203.10623	3.4
203.14339	11.4
205.10254	5.5
205.12218	3.3
206.10860	3.3
207.11726	10.8
207.13806	18.4
208.12460	6.6
209.09624	5.4
209.13286	14.6
209.15410	14.9
210.10446	4.1
211.11169	7.4
211.14876	13.0
211.16580	2.6
213.12842	13.3
213.16357	3.3
215.10661	8.9
215.14282	15.1
217.10298	3.4
217.12222	5.1
217.15883	4.7
219.11621	5.5
219.13745	3.9
221.13289	12.7
221.15390	55.5
222.10400	2.7
222.14008	3.6
223.11180	9.4
223.14931	12.0
225.12752	9.4
225.16321	5.9
227.10704	3.3
227.14227	7.1
229.12296	5.3
229.15878	4.2
230.10793	3.1
231.11758	5.1
233.09514	2.7
233.13335	5.0
233.15366	90.3
235.14885	5.0
236.12039	2.5
236.15756	3.1
237.12663	5.0
237.14795	7.0
237.16663	5.8
239.10651	2.9
239.14288	5.6
241.12213	7.3
241.15895	3.1
243.13826	4.0
245.13411	3.8
247.14793	4.6
247.16966	7.0
249.12787	5.2
249.16304	4.1
250.13586	3.1
251.14325	4.0
251.18037	4.7
253.12253	3.5
253.15956	4.7
255.17429	9.5
257.13177	4.4
259.13196	5.9
261.12970	4.1
261.16263	3.5
263.14203	4.3
264.15225	2.5
265.15839	6.5
267.13699	2.9
267.17462	6.8
273.18509	7.8
279.17441	9.3
281.19012	3.6
283.17032	4.6
285.18588	4.5
287.12659	6.5
287.17413	2.8
289.16055	3.2
291.17276	3.6
293.18936	4.7
297.18533	15.8
301.18332	3.2
311.20337	5.0
315.19543	33.5
325.18097	5.4
333.22043	3.0
343.19046	100.0
361.21713	3.1
391.22803	3.2
397.23874	2.3
405.24219	4.7
409.23871	7.3
423.29132	4.8
441.29895	10.2
467.31284	6.2
507.34354	4.1
508.93842	2.3
515.34399	3.0
577.36530	6.4
595.37555	19.5
599.40869	5.3
613.38507	40.6
631.39862	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.8
57.07077	30.8
59.04987	0.9
67.05514	4.7
69.07070	2.2
70.79955	0.6
71.04989	0.9
71.08636	22.6
71.51689	0.7
71.52127	1.1
73.06550	9.2
75.48696	0.6
78.48391	0.7
79.05487	3.1
81.07072	3.9
83.08628	3.4
85.10182	19.3
86.06058	0.8
86.86951	0.7
87.04469	7.6
89.06033	100.0
91.05478	2.6
93.07038	3.5
95.04955	1.0
95.08607	2.3
97.06510	0.8
97.10172	3.8
99.11730	5.5
105.07031	2.6
107.07054	2.1
107.08610	1.9
109.10146	2.0
111.11720	1.1
113.13313	0.9
117.09146	6.9
119.08588	2.7
121.10184	1.3
122.10467	0.7
123.08063	1.0
130.08635	2.2
131.07033	2.1
131.08551	0.9
133.08609	51.1
133.10204	1.7
135.10179	1.0
135.11668	0.9
145.10155	1.3
147.08115	0.7
155.17950	5.3
161.11752	2.6
162.09041	1.0
163.09537	0.9
167.10606	0.9
171.11781	0.9
175.09770	1.8
177.11232	21.2
181.12338	1.0
183.11670	0.7
195.11658	0.7
199.20621	4.0
221.13704	5.2
230.15636	1.1
231.15840	1.3
239.14821	0.9
240.23282	1.5
243.23228	9.7
265.16599	1.6
283.17563	1.7
287.25873	7.6
292.19104	2.0
293.19351	2.9
294.19717	1.2
309.19028	1.0
327.20044	1.4
353.21805	1.2
371.22855	1.0
377.21622	0.7
378.88547	0.7
415.25238	1.1
454.06842	0.7
459.27988	3.9
489.35721	1.7
505.35013	0.9
525.39600	0.8
569.42371	1.0
613.45306	9.0
630.47052	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	630.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
53.04622	0.4
55.01622	0.3
55.01865	2.0
55.05511	1.9
56.05028	0.7
57.03445	4.1
58.06589	0.8
61.02934	4.8
65.03938	0.4
67.05510	4.6
68.05026	1.3
69.03436	16.0
69.07059	1.4
69.97196	1.5
70.06596	14.2
71.01359	1.1
71.04996	4.7
71.06899	0.5
72.08156	2.9
73.02919	4.0
74.06064	0.4
79.05519	0.5
81.03422	4.9
81.07056	1.5
81.65285	0.4
82.06581	0.8
83.04987	1.7
84.04501	2.1
84.08153	8.5
85.02910	39.8
86.06062	1.6
86.09711	4.5
87.04482	3.0
91.03959	2.1
91.05488	1.8
95.04943	0.7
96.08137	1.8
97.02899	14.0
98.06056	1.1
98.09698	92.4
99.04461	2.8
101.02396	0.5
101.07133	0.9
103.03948	0.8
107.04989	1.1
107.41979	0.4
109.02898	4.2
109.10185	1.2
110.07183	1.2
110.09640	0.5
111.04449	0.9
111.10473	0.6
112.08730	0.6
112.11251	1.3
115.03941	1.9
119.04955	3.8
120.08111	1.0
123.04469	0.8
125.02390	0.9
126.12753	0.4
127.03917	9.1
129.05566	0.4
129.10239	2.8
133.04953	2.6
136.07587	1.7
138.12810	2.2
140.14348	31.5
141.14687	0.5
143.11829	0.4
145.04973	6.0
147.04419	25.0
158.15413	15.1
163.06081	0.5
163.07594	0.5
192.07693	0.4
200.16507	1.0
233.16539	0.7
275.09174	0.5
275.84344	0.4
287.05432	2.9
298.88632	0.4
304.19061	11.9
322.20148	1.8
325.00388	0.5
343.01480	1.2
361.02356	5.8
362.02762	0.5
366.03461	0.5
379.03491	1.0
387.05499	3.5
387.55444	0.5
468.08105	1.6
612.30237	26.9
623.20404	0.5
630.31201	100.0
631.31439	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	630.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95187	0.2
53.03936	1.1
53.58106	0.2
55.01868	1.8
55.05516	1.5
56.05031	0.9
57.03437	4.3
57.21246	0.3
58.06591	1.0
59.04997	0.5
60.04523	0.5
60.05608	0.2
61.02925	4.6
67.05182	0.3
67.05508	4.1
69.03430	15.3
69.07066	1.0
70.06594	14.8
71.01350	1.2
71.04992	3.3
71.52096	0.3
72.08157	2.4
73.02913	3.7
74.06086	0.5
75.04479	0.4
79.05500	0.3
81.03416	4.8
81.07061	1.3
82.06550	0.3
83.01344	0.6
83.04965	1.8
83.06105	0.5
84.04506	2.1
84.08146	7.9
85.02908	37.6
85.06596	0.2
85.08480	0.3
86.06062	1.8
86.09708	4.6
87.04472	3.5
88.03995	0.4
91.03948	2.0
91.05494	1.9
94.06580	0.3
94.27693	0.2
95.04961	0.5
95.06042	0.3
96.08150	2.4
97.02895	13.1
97.08910	0.3
98.06070	1.5
98.09695	90.5
99.04457	3.1
99.10030	0.5
101.02379	0.6
101.07167	0.4
102.05561	0.4
103.03934	0.6
107.04978	0.8
107.08603	0.3
109.02882	3.9
109.10181	1.3
110.06048	0.3
110.07172	0.9
110.09695	0.3
111.04454	0.9
111.10471	1.0
112.08762	0.6
112.11263	1.2
113.07142	0.3
114.05522	0.3
115.03954	2.1
115.08687	0.3
117.33286	0.3
119.04948	4.0
120.08127	0.7
121.02866	0.3
121.06547	0.4
122.09663	0.3
123.04443	0.9
125.02374	0.8
126.12790	0.3
127.03921	9.4
127.08696	0.3
129.05492	0.9
129.10249	3.2
130.04980	0.3
133.04970	2.7
136.07584	1.1
137.05966	0.3
138.06664	0.3
138.12793	2.3
138.17291	0.3
139.08630	0.3
140.14345	29.9
141.14755	0.4
144.96637	0.3
145.04958	5.3
145.06027	0.5
147.04414	25.0
148.04784	0.6
155.96092	0.3
158.15410	14.3
159.15758	0.4
160.05013	0.4
160.26799	0.3
173.12857	0.3
177.05446	0.4
187.46181	0.3
197.12833	0.3
200.16481	1.0
206.22887	0.3
209.10263	0.3
215.13881	0.3
234.16795	0.2
239.34335	0.3
253.14452	0.3
275.09167	0.4
287.05441	1.6
304.19049	10.6
322.20132	1.7
325.00443	0.3
343.01544	0.7
361.02277	4.1
379.03546	0.6
387.05579	2.7
387.55750	0.6
401.72208	0.3
450.24741	0.3
468.08170	1.0
508.87155	0.3
563.31567	0.3
612.30170	25.3
613.30865	0.4
624.82257	0.3
630.31195	100.0
631.30896	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82643	1.4
53.03940	6.8
55.01880	9.1
55.05268	2.7
55.05516	35.4
57.03447	15.0
57.07080	6.2
59.04974	1.7
65.03931	3.4
67.05509	84.7
69.03426	2.5
69.07071	34.0
69.86501	8.2
71.04994	4.2
71.08632	7.3
73.78551	1.4
79.05498	59.9
80.48640	1.7
81.03403	3.9
81.07060	100.0
83.04988	7.8
83.08628	22.1
85.06543	4.0
89.06039	3.0
91.04915	2.2
91.05486	51.9
93.07052	55.5
95.04980	6.4
95.08612	71.0
97.06548	13.4
97.10177	14.3
98.21439	2.0
99.08103	8.0
105.04508	2.1
105.07034	50.4
106.13121	1.8
107.04958	6.8
107.08598	41.4
109.06512	8.7
109.10164	31.4
111.08098	5.2
111.32049	2.1
113.05992	1.8
113.09621	2.7
115.05466	2.5
117.07008	15.9
119.08583	39.4
121.06486	4.3
121.10156	27.0
123.08097	6.1
123.11703	11.2
125.09649	6.7
128.06201	1.7
129.07028	7.8
130.07805	1.9
131.08585	25.1
133.10146	33.2
135.08084	4.9
135.11691	16.2
135.27170	2.0
137.09608	5.6
137.13251	3.3
141.06975	2.3
143.08577	11.1
145.10130	29.0
147.11702	24.4
149.09641	12.8
149.13228	8.3
151.11237	3.3
153.12776	2.0
155.08553	3.9
157.10143	11.0
159.11700	18.8
161.09586	2.4
161.13261	12.7
163.11179	5.0
163.14865	5.4
165.12828	3.5
169.10185	6.2
171.11690	10.0
173.12006	1.9
173.13277	11.2
175.11169	2.2
175.14883	6.6
177.12779	2.4
177.16312	2.2
179.14301	3.2
183.11696	4.9
185.13318	8.3
187.14803	8.0
189.11243	3.0
195.11769	3.1
197.13266	3.2
199.14871	4.5
201.16380	3.0
203.14299	4.2
205.15825	3.1
211.14755	2.6
213.16449	3.7
215.17952	4.7
216.09154	1.8
219.17412	11.1
223.13229	2.2
227.12881	7.2
229.19479	3.0
231.21056	2.4
231.34395	1.8
239.18025	5.3
241.19701	4.3
243.21211	2.9
247.20602	2.8
255.21266	2.1
257.19147	8.3
259.20395	3.9
261.22275	4.9
267.15839	2.0
275.20074	45.1
277.18875	1.7
277.21609	10.6
279.23291	4.7
291.19635	3.4
293.21033	8.1
294.21454	3.5
325.25485	2.2
331.22824	4.5
333.24365	3.0
335.25928	11.0
337.27408	41.7
337.31171	3.3
349.23715	21.2
351.25513	5.5
507.36880	2.2
517.38898	3.0
519.42010	4.0
529.38831	2.6
537.43347	6.6
539.41095	1.9
543.40698	3.5
555.44073	5.0
557.41937	12.4
593.45850	3.5
611.46735	74.0
629.47729	78.6
630.47766	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.01870	7.3
55.05513	31.3
57.03438	7.0
57.07079	13.3
59.04994	2.2
67.05507	70.9
67.28712	2.0
68.05832	2.9
69.07066	30.9
69.07420	2.4
71.05013	4.7
71.08638	22.2
72.46831	1.7
73.65349	1.9
77.03945	2.3
79.05495	43.6
81.03424	6.2
81.07060	77.7
82.07405	2.1
83.04994	5.2
83.08621	18.6
85.06553	5.4
85.10169	4.2
87.04475	2.1
89.06037	11.2
91.05489	40.4
93.07048	52.7
93.07649	3.3
94.07365	2.2
95.04967	8.6
95.08614	55.8
96.08967	2.5
97.06547	7.8
97.10174	10.0
99.08092	13.4
105.04532	2.5
105.07034	43.8
106.07309	1.8
107.04963	2.9
107.08589	32.0
109.06556	2.9
109.10155	25.6
109.10854	2.5
111.08102	4.7
113.09646	4.4
115.05534	1.7
117.07035	16.5
119.08583	36.6
119.09376	3.0
120.08907	2.0
121.06545	4.0
121.10153	22.8
123.08097	2.2
123.11738	9.5
125.09657	5.9
129.05489	3.0
129.07013	11.2
131.08574	30.6
133.08614	7.3
133.09167	2.2
133.10114	22.8
135.08081	4.9
135.11696	15.1
137.09641	2.8
137.13263	2.0
139.11183	2.8
141.07001	4.1
142.07805	2.3
142.70277	1.9
143.08562	11.3
144.09412	1.8
145.06451	2.2
145.10126	25.3
146.10548	1.8
147.11693	17.3
149.09630	6.1
149.13295	6.9
150.51099	1.8
151.11159	4.2
155.08598	6.7
157.10135	10.7
159.11728	16.7
161.09624	1.9
161.13248	10.6
163.11266	3.0
163.14856	4.9
165.12802	4.3
167.08553	3.1
169.10159	8.1
171.11667	11.4
173.11977	2.5
173.13301	10.8
175.14859	7.4
179.14288	3.5
181.10036	2.2
183.11600	4.6
185.13330	5.0
187.14897	8.0
189.11238	2.1
189.16428	4.0
195.13921	2.5
197.13290	4.3
199.14850	6.0
201.01851	1.7
201.16420	6.0
201.44052	1.7
203.18057	3.1
209.13304	3.9
211.14888	4.0
213.16472	3.5
217.19553	2.4
223.14983	2.6
225.16440	2.8
227.12730	4.0
229.19736	2.4
239.18082	3.7
241.19601	2.3
243.21202	3.3
257.19183	2.4
261.22266	5.5
265.21719	3.0
275.20099	5.9
276.20511	2.6
277.21719	7.4
279.23459	2.5
287.23944	2.2
291.23337	3.1
299.23663	2.3
303.23355	2.0
317.24948	2.8
335.25989	7.4
336.26187	4.0
337.27322	3.3
338.35428	1.8
339.25565	2.0
349.23984	3.2
351.25446	6.1
383.33444	2.3
405.31375	2.6
423.32748	2.6
425.34296	3.6
442.16794	1.9
443.35284	2.2
457.36725	2.2
482.82510	1.8
487.78342	2.0
495.38358	2.1
497.36697	2.9
499.37891	4.0
503.37146	3.1
513.39746	3.1
515.37274	27.7
515.44373	2.4
517.38458	3.3
519.42151	4.5
529.38904	13.3
537.43250	8.0
543.40326	2.4
555.43750	9.0
593.46222	3.9
601.47980	2.9
611.46716	57.3
612.47693	3.0
629.47803	100.0
630.47839	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	629.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01863	5.6
55.05511	26.5
57.03434	10.9
57.07074	8.5
65.03932	3.8
67.05510	82.6
68.05840	2.5
69.07075	23.3
71.04993	3.0
71.08637	37.1
79.05499	72.3
81.03416	7.7
81.07061	89.6
82.07391	2.9
83.04977	9.6
83.08624	15.3
85.06538	2.4
85.10173	2.5
87.12009	1.7
89.06030	3.8
91.05486	51.4
91.71403	1.8
93.07053	81.5
94.07393	1.9
95.04967	12.1
95.08616	67.2
96.08949	2.4
97.06530	10.9
97.10165	8.4
98.21515	5.6
99.08098	27.4
105.07038	37.9
107.04961	6.9
107.08606	47.5
109.06524	4.2
109.10164	24.5
111.08102	2.8
111.38987	1.8
113.09640	3.8
117.07021	13.1
119.08592	27.0
121.10149	36.5
122.10561	2.3
123.08076	5.5
123.11697	6.0
125.09608	2.5
129.05495	2.7
129.07001	5.9
131.08569	22.7
133.10138	19.9
135.08051	3.1
135.11702	30.0
137.09613	3.3
139.11096	2.4
141.09058	2.8
143.08571	7.2
145.10144	19.0
147.11714	12.5
149.09641	4.6
149.13261	14.8
151.11201	13.1
151.14899	2.6
153.12743	2.3
155.08640	2.8
156.83876	1.9
157.10130	5.5
159.11700	12.8
161.13272	18.3
161.91736	2.0
163.11214	4.6
163.14838	10.0
165.12708	2.9
169.10130	3.5
171.11670	6.5
173.11922	2.9
173.13309	8.5
175.14825	5.2
177.12802	4.0
177.16377	4.4
179.12750	3.6
179.14319	62.5
183.11731	2.5
185.13245	6.0
187.14816	3.5
189.12735	4.2
199.14850	2.9
215.18140	2.3
219.17453	5.1
219.21072	2.0
221.15466	2.8
235.16946	2.4
241.19595	2.6
243.21095	15.1
259.20657	4.9
261.22168	17.2
275.20074	5.7
276.20428	2.3
277.21649	64.8
280.08316	2.3
295.22549	2.3
317.24655	9.9
335.25803	63.3
337.27225	4.8
351.25305	50.5
399.91733	2.3
439.35477	4.1
513.39465	8.6
515.36987	6.5
519.42303	2.3
529.38983	3.4
557.41992	2.4
576.77423	2.3
611.46698	100.0
612.47150	3.0
629.30011	2.9
629.47675	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	628.458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.4
55.05516	2.4
57.03416	0.9
65.03896	0.5
65.28800	0.4
67.05508	3.6
69.07073	2.1
70.45435	1.2
71.04984	0.7
75.04454	0.6
79.05457	1.5
79.64247	0.4
81.07069	3.7
83.04957	0.4
83.08603	0.7
89.06023	0.5
91.05489	3.8
92.05029	3.3
93.05785	0.8
93.07051	1.8
94.06566	0.6
95.08572	1.7
96.08920	0.4
97.10167	0.5
103.29337	0.5
105.06998	1.1
106.06532	1.6
107.08602	1.8
109.10124	0.8
110.83956	0.4
117.05731	1.0
117.07001	0.8
118.06557	13.7
119.07290	1.2
119.08543	1.3
120.04433	0.4
120.08072	1.6
120.08828	0.5
121.10113	0.6
129.06996	0.4
130.06509	1.2
131.07278	0.4
131.08514	0.7
132.08072	1.9
133.08720	0.5
133.10080	1.1
134.09628	0.6
135.11729	0.4
144.08107	0.5
145.10205	0.4
146.05998	1.1
146.09637	0.8
147.11626	0.4
159.11646	0.4
162.09151	14.4
163.09946	3.8
164.10687	0.6
176.10738	1.4
202.15910	3.3
218.15486	0.6
230.15427	23.9
248.16489	1.3
258.14871	0.7
262.17975	0.9
274.17969	0.9
290.66565	0.4
292.19092	74.7
293.19223	0.9
304.19168	0.7
348.17505	0.5
348.21753	10.2
362.09988	0.4
420.23441	0.4
495.32938	0.6
610.46826	0.5
628.45764	100.0
629.46259	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	628.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05525	0.1
55.01855	0.2
55.05507	0.9
56.05033	0.4
57.03418	0.5
58.06584	0.5
59.50957	0.2
60.04514	0.2
61.02927	0.5
63.39293	0.1
65.03948	0.3
67.05509	4.0
68.05018	0.5
68.12131	0.1
69.03437	1.9
69.07072	0.9
70.06598	12.6
71.05003	1.4
71.06901	0.2
71.50944	0.2
71.51343	0.2
72.08149	1.1
73.02914	0.3
74.06079	0.2
79.05504	0.4
81.03404	0.6
81.07048	0.8
82.06584	0.3
83.04964	0.2
83.08616	0.3
84.04510	0.8
84.08152	4.4
85.02908	4.2
85.06569	0.2
86.06065	0.4
86.09713	1.6
87.04471	0.4
88.04009	0.2
91.03936	0.3
91.05483	1.4
96.04505	0.2
96.08150	0.9
97.02901	1.3
97.08916	0.3
98.09700	100.0
99.04453	0.3
99.10027	0.6
101.07093	0.2
102.37042	0.2
107.04976	0.8
107.08593	0.2
109.02876	0.5
109.10181	1.3
110.06046	0.2
110.07182	0.5
111.10489	1.3
111.11712	0.3
112.11260	1.4
114.09193	1.1
115.08710	0.3
119.04958	3.2
120.08112	0.5
121.02879	1.1
122.68703	0.2
127.03919	1.2
128.93994	0.2
129.05513	0.2
129.10260	1.1
135.04446	0.2
136.07565	0.4
138.06526	0.2
138.12769	0.2
140.14352	33.8
141.14709	0.4
145.04990	0.5
147.04420	11.6
149.05922	0.2
156.13847	0.4
158.15413	63.8
159.15804	0.4
163.03902	0.3
163.79120	0.2
175.07492	0.3
177.05498	0.3
183.14978	0.2
186.19496	0.2
226.11853	0.2
290.13632	0.2
303.05096	0.3
304.05414	0.2
320.18585	15.3
349.83286	0.2
450.25125	0.3
564.34387	0.2
628.29651	76.2
629.07489	0.2
629.29919	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01870	0.3
55.05508	1.8
56.05027	1.0
57.03424	1.0
58.06602	1.5
60.04525	2.7
61.02915	1.0
61.41574	0.2
65.03941	0.5
65.57368	0.3
67.05508	5.8
68.05021	1.0
69.03430	3.4
69.07067	1.7
70.06596	16.1
71.01328	0.3
71.04992	2.7
71.06911	0.8
71.07333	0.3
71.52076	0.2
72.08159	3.6
73.02908	1.0
74.06059	0.7
79.05515	1.5
79.05898	0.3
81.03426	1.4
81.07066	3.4
82.06575	0.9
83.04984	0.7
83.07377	0.4
83.08631	0.3
84.04503	0.9
84.08147	11.7
85.02906	8.8
85.03284	0.1
85.06536	0.3
85.08486	0.3
86.06051	0.5
86.09223	0.4
86.09711	5.3
87.04449	0.6
88.03944	0.3
91.03947	0.5
91.05490	1.7
93.07029	0.5
94.06556	0.5
95.04897	0.2
95.06103	0.2
95.08627	0.4
96.08137	2.1
97.02888	2.7
97.08886	0.6
98.09696	100.0
99.04459	0.8
99.10011	1.2
101.07132	0.3
102.05487	0.4
107.05006	0.3
107.08599	0.4
108.08102	0.5
109.02888	0.7
109.10155	2.0
110.07185	1.4
110.09693	0.7
111.04428	0.4
112.08740	0.5
112.10459	0.3
112.11250	5.3
114.48125	0.3
115.03969	0.3
115.43149	0.2
119.04967	2.5
119.08553	0.3
120.08111	4.0
120.33720	0.2
121.02852	0.6
121.06525	0.3
124.08712	0.3
124.11217	0.3
125.09657	0.4
126.12797	0.4
127.03923	2.1
127.11180	0.3
129.05518	0.6
129.10258	1.9
132.10298	0.4
133.04977	0.5
136.07585	1.6
138.12766	2.0
140.14345	7.1
141.14719	0.4
145.02913	0.5
145.04973	2.0
147.03229	0.6
147.04413	10.3
147.06284	0.4
148.04758	0.9
154.15895	0.5
155.08330	0.3
156.13844	33.2
158.15393	5.1
162.09225	0.4
163.04036	0.4
167.12971	0.3
171.04449	0.4
172.17006	0.5
173.17308	0.4
174.14903	42.4
177.05510	0.9
185.16527	0.3
191.08516	0.4
200.14087	0.4
207.08243	0.4
219.08203	0.4
229.15654	0.4
235.07529	0.6
236.14064	0.3
247.07602	0.4
263.07025	1.6
265.08768	0.9
291.06458	1.4
297.15341	0.3
304.19080	2.2
307.10464	0.4
320.18597	6.3
327.14227	0.3
377.83649	0.3
433.20789	0.3
465.25540	1.0
465.75739	0.5
466.24292	0.7
482.22354	0.4
584.28662	1.1
597.28430	0.3
628.29535	53.6
629.29602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79055	0.2
53.03956	0.4
55.01873	0.5
55.05505	1.0
56.05022	0.4
57.03437	0.8
58.06598	0.3
61.02933	1.7
61.67578	0.2
64.68183	0.2
67.05511	3.4
68.05037	0.5
68.96033	0.3
69.03094	0.3
69.03438	3.8
69.07066	0.5
70.06601	10.9
70.63917	0.7
71.05008	1.4
72.08171	0.3
73.02916	0.9
74.74720	0.2
74.82571	0.2
81.03422	1.5
81.07054	0.7
83.04987	0.6
84.08161	2.2
85.02914	14.8
86.09711	0.5
87.04475	0.6
89.03919	1.6
91.03965	0.7
96.08132	0.7
97.02908	4.1
98.09701	100.0
99.04460	0.7
99.10033	0.5
107.04954	0.7
109.02869	1.3
109.10169	0.7
110.09702	0.4
111.04446	0.5
111.10474	1.0
112.11248	0.8
114.09190	0.8
115.03930	0.7
117.03388	2.6
119.04961	0.9
127.03941	3.1
129.05475	0.5
129.10207	0.3
133.04973	0.8
135.04422	3.8
138.12894	0.2
140.14354	31.4
145.02858	6.0
145.04955	3.3
147.04439	3.4
156.13823	0.3
158.15422	15.4
163.03918	32.7
177.05499	3.2
179.67644	0.2
217.04968	0.3
226.11948	0.3
285.44055	0.3
291.08679	0.8
315.79495	0.2
320.18588	16.5
321.19016	0.3
334.20169	0.5
450.25443	0.4
466.25214	0.3
628.29675	98.0
629.30182	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	628.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01864	0.5
55.05524	1.5
56.05024	1.1
57.03433	1.2
58.06594	1.3
60.04537	2.8
60.92349	0.3
61.02917	1.0
65.03945	0.4
67.05512	4.0
68.05024	1.0
69.03431	4.7
69.07084	1.4
70.06599	12.9
71.05003	2.9
72.08166	2.2
73.02917	1.3
74.06068	0.4
79.05490	1.2
79.59048	0.3
80.58053	0.3
80.87643	0.3
81.03429	1.7
81.07053	2.5
82.06575	0.8
83.04988	1.0
83.07375	0.4
84.04495	1.1
84.08150	12.5
85.02914	11.6
85.03297	0.2
85.03434	0.3
85.06548	0.5
85.56950	0.2
86.06064	1.3
86.09711	3.5
87.04456	0.9
87.20714	0.3
89.03920	0.7
91.03970	0.4
91.05502	1.4
93.07039	0.5
94.06518	0.3
95.04994	0.3
95.08638	0.4
96.08141	1.6
97.02909	3.0
97.08927	0.7
98.06075	0.7
98.09703	100.0
98.20630	0.5
99.04453	1.0
99.10044	0.5
99.44244	0.3
107.04957	0.4
107.08621	0.7
109.02886	0.9
109.10173	2.0
110.07177	1.1
110.09688	0.5
111.10458	0.3
112.11255	6.7
115.03955	0.4
117.03391	2.5
119.04939	2.9
120.08133	1.2
125.09659	0.4
126.12786	2.1
127.03951	2.8
127.11166	0.5
129.05508	0.5
129.10252	1.8
130.06531	0.3
133.04987	0.9
136.07574	1.3
137.05994	0.5
138.12805	1.5
140.14337	3.7
144.13853	4.3
145.02870	7.3
145.04945	2.8
147.04422	9.6
148.07491	0.3
148.13008	0.3
149.06024	1.0
155.08223	0.3
156.13857	30.0
158.15421	4.6
163.03993	0.5
174.14912	51.8
175.15251	0.3
177.05482	13.1
304.19183	3.1
305.10202	0.3
320.18594	10.6
343.50693	0.3
405.79239	0.3
450.24887	0.4
466.24518	2.4
550.34607	0.3
571.48181	0.3
619.27917	0.3
628.29724	64.4
629.30182	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.5
53.03935	4.6
55.01853	5.1
55.05513	50.3
57.03443	14.0
57.07060	3.6
64.11145	1.3
65.03926	4.1
66.92597	1.3
67.05506	91.0
69.03416	1.7
69.07072	39.6
71.04978	4.9
71.08643	1.6
71.09039	1.3
71.12524	1.7
71.12855	2.1
73.04742	1.4
79.05497	63.1
81.03423	2.3
81.07059	100.0
83.04995	6.7
83.08621	24.7
85.06529	4.1
91.05476	84.7
93.07046	57.6
93.07634	2.7
95.04987	9.2
95.08608	65.5
97.06524	7.1
97.10172	10.0
99.08092	3.0
103.05469	3.6
103.39680	1.3
105.04514	3.7
105.07034	73.9
107.04935	6.2
107.08597	30.6
109.06508	7.3
109.10159	23.2
111.08072	5.2
115.04737	1.8
115.05435	10.4
116.06236	5.6
117.06235	2.7
117.07019	41.5
119.04952	1.7
119.08589	40.1
121.06502	5.7
121.10139	18.3
123.08123	6.8
123.11696	9.7
125.09624	5.6
128.06235	20.6
129.07007	31.1
130.07790	11.1
131.08568	76.5
133.06474	6.5
133.10136	31.3
135.08084	4.1
135.11690	11.3
137.09612	4.2
137.13257	2.3
139.11218	2.1
141.06995	12.7
142.07777	8.3
143.08563	81.7
144.09288	3.4
145.06473	3.0
145.10121	79.7
147.08055	7.8
147.11697	14.1
149.09627	6.6
149.13271	4.9
151.11163	3.1
151.14824	2.1
153.06932	1.6
154.07782	2.2
155.08582	7.6
157.10130	23.5
159.08017	3.9
159.11682	21.1
161.09630	9.0
161.13312	7.6
163.11148	5.3
163.14792	2.2
166.07791	2.2
167.08528	5.3
169.10146	16.1
171.11679	19.3
173.13275	8.4
175.11133	6.9
175.14777	2.2
175.59489	1.2
177.12775	3.0
179.14276	2.5
180.09360	2.9
181.10115	10.1
183.11685	11.3
185.13271	7.9
187.14868	2.4
189.12820	2.1
189.16374	2.0
195.11684	16.6
197.13255	3.7
199.11177	2.4
199.14822	2.8
201.12737	4.1
209.13164	2.0
211.14867	2.5
213.12759	3.4
225.04294	3.3
225.39830	1.4
227.17967	5.1
237.16397	21.2
241.14345	3.4
245.19029	6.2
247.70036	1.5
250.42691	2.1
255.17433	18.5
257.19104	2.8
259.20712	2.1
263.23721	4.1
273.18497	52.5
275.20090	19.9
277.21677	1.6
285.01035	2.6
291.19452	2.8
299.06168	2.5
329.21078	5.2
335.25763	11.4
337.27374	98.4
347.22141	24.2
349.23740	4.2
355.07108	3.5
371.09973	1.6
421.05151	1.6
429.08936	1.6
448.81662	1.5
609.45190	42.7
627.46075	18.4
631.61591	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	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.5
53.05914	2.5
55.01878	11.5
55.05512	33.9
57.03453	14.7
57.07078	8.1
59.88000	2.3
65.03947	5.4
66.14862	2.4
67.05510	93.2
68.05830	4.7
69.07069	27.9
71.05018	6.0
71.08642	49.5
79.05498	77.7
80.05846	3.0
81.03428	6.8
81.07058	89.9
83.05000	8.3
83.08617	21.8
85.06549	4.5
91.05484	76.1
91.06024	4.2
93.07047	83.0
94.07396	3.7
95.04952	12.7
95.08610	69.6
97.06527	17.0
97.10190	9.8
99.08100	29.5
103.05467	2.9
105.04569	2.7
105.07039	61.0
106.07430	3.1
107.04973	8.8
107.08597	36.8
109.06544	10.6
109.10158	28.3
111.08150	5.9
115.05440	3.0
117.07041	27.9
119.08595	49.7
121.06572	2.8
121.10150	28.0
123.08099	6.0
123.11719	7.9
125.09676	8.1
128.06229	6.3
129.07025	16.2
131.08582	45.2
133.10155	32.5
135.08113	3.6
135.11702	27.0
137.09711	3.6
141.07039	4.3
142.07835	2.7
143.08560	19.5
145.06584	2.8
145.10126	34.7
146.10532	2.6
147.11671	27.1
149.09729	5.9
149.13261	15.5
151.11223	11.6
155.08614	9.5
156.09201	3.3
157.10153	21.0
159.11731	26.7
161.09644	5.3
161.13245	24.7
163.11240	7.6
163.14832	6.0
167.08551	3.8
167.10730	2.3
169.10197	10.7
171.11717	20.0
173.11879	3.9
173.13295	17.5
175.14909	8.2
177.12787	6.3
179.14339	27.1
181.10214	5.4
183.11772	8.2
185.13223	15.9
187.11420	2.7
187.14977	6.8
189.11261	3.2
195.11790	8.0
197.13332	9.1
199.14925	8.0
201.16502	4.6
209.13403	3.7
219.17574	6.7
223.14879	2.8
225.16483	3.5
229.61497	2.6
231.21191	3.1
241.19539	19.3
254.60045	2.5
257.19138	3.5
259.20654	23.2
261.22241	4.5
273.18567	5.8
274.18945	4.0
275.20105	25.6
277.21686	32.6
291.19656	3.4
293.21222	10.8
295.22958	4.4
296.97702	3.0
315.23145	5.8
333.24191	23.2
335.25842	20.3
336.26181	5.7
337.26703	4.8
341.24854	2.6
349.23761	9.9
351.25360	25.9
419.32632	4.2
437.34399	14.5
483.34903	2.7
511.37924	12.6
513.35571	2.9
515.37146	3.5
517.40430	5.6
527.37610	3.0
535.41425	5.3
553.42651	5.0
609.45105	72.1
627.46265	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
57.03424	1.7
66.16452	1.0
67.05515	3.6
69.03414	1.6
69.07059	1.9
69.73609	4.5
70.02954	1.2
79.05490	3.6
81.07050	4.4
81.81738	1.3
91.05475	1.4
93.07047	3.9
95.08604	1.7
98.21490	2.2
105.07044	2.7
107.08615	2.1
109.10105	1.1
109.41593	1.2
110.55140	1.1
113.25982	1.1
119.08601	2.6
121.10150	2.0
123.08006	1.4
130.06569	1.1
131.08617	2.1
133.10104	2.5
136.07549	1.7
143.08618	1.5
148.76152	1.2
165.75273	1.4
174.09203	6.0
187.12363	5.0
195.37811	1.2
196.46216	1.2
199.75203	1.2
215.11794	2.8
225.10309	2.6
227.11951	2.2
237.10167	1.3
239.11865	2.4
241.13434	2.7
243.11317	27.3
251.11809	1.4
267.11331	5.7
269.12805	1.8
275.11703	1.5
277.09613	1.6
285.12497	2.4
295.10806	2.5
300.11584	1.2
301.12201	1.9
304.30933	1.1
305.58759	1.2
309.12360	2.0
314.13110	2.2
316.10864	1.4
325.15515	10.6
327.13599	4.9
328.10925	2.7
328.14517	2.8
330.12546	3.7
334.15515	1.6
342.12622	3.7
343.13190	4.7
344.14041	5.3
345.14868	1.4
346.15561	3.1
348.13531	6.2
356.14072	3.4
357.14856	2.3
358.15482	3.6
370.15747	2.7
372.17264	4.3
374.14853	2.3
386.14877	2.1
400.16650	3.5
412.16785	1.5
419.18848	1.5
432.19269	3.6
433.20721	1.3
435.14310	2.6
437.19949	1.8
447.22360	2.0
450.16895	2.1
451.17603	3.3
461.23920	2.0
462.24353	1.8
463.21417	3.8
465.18933	14.5
478.20273	1.7
479.21066	5.3
480.21722	6.3
481.22189	3.5
490.20251	3.1
492.21686	3.4
493.23218	3.1
504.21860	2.1
507.23984	5.2
508.20969	2.2
517.22327	2.0
535.23517	7.4
541.24146	1.9
549.24792	13.5
552.23987	1.5
553.24591	2.2
567.26074	84.8
577.24603	3.7
595.25531	100.0
627.28174	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2813
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
67.05505	1.2
69.07096	0.5
69.74945	1.5
69.75369	0.9
75.23386	0.4
79.05512	0.8
81.07075	1.2
91.05495	1.8
93.07056	1.5
95.04987	0.4
95.08628	0.7
105.07043	0.8
105.71003	0.4
106.06553	0.6
107.08611	0.8
117.05768	0.6
119.08622	0.8
120.04476	0.6
121.06556	0.6
122.06120	0.6
129.06995	0.5
130.06465	0.6
131.07373	0.5
133.10132	0.7
135.11714	0.5
136.07596	1.4
138.09155	0.5
144.08096	0.5
145.10069	0.5
146.09682	0.7
150.09116	0.6
159.09169	0.8
159.11714	0.6
172.07596	0.6
174.09131	3.1
187.08664	0.9
187.12317	4.0
188.10756	1.1
197.10742	0.9
198.09171	1.0
199.08688	0.7
208.46767	0.4
211.08769	1.3
212.09418	1.0
213.10126	0.5
215.11787	3.0
223.08731	0.6
223.12450	0.5
224.09465	0.9
225.10233	3.0
226.10898	0.8
227.11838	2.0
231.31276	0.4
235.08722	1.0
237.10237	1.1
238.10988	0.7
239.11858	1.8
240.12685	0.8
241.13321	2.0
243.11299	19.5
249.10316	1.7
251.11813	1.1
252.08920	0.7
253.09802	0.7
255.11331	0.6
263.11874	0.7
265.09750	0.7
267.11346	5.0
269.10281	0.4
269.12811	2.4
275.11810	0.6
277.09772	1.7
280.10352	0.5
285.12427	2.7
291.11081	0.7
293.12964	0.8
295.10770	2.9
297.12512	0.5
299.11035	0.6
299.14233	0.7
300.11353	0.7
301.12512	0.8
301.15497	2.7
302.13092	0.6
304.10931	0.7
306.12399	0.5
309.12320	1.1
313.12183	0.7
314.12958	1.2
315.13696	1.2
316.10980	1.1
316.14603	0.9
317.11670	0.7
318.12286	0.6
319.10757	1.3
320.14059	0.7
325.15549	6.3
326.13043	0.6
327.13425	6.0
328.11121	0.9
328.14523	1.5
329.11642	1.4
329.15207	0.7
330.12396	2.4
330.15817	0.8
331.13254	0.5
334.15570	1.2
340.10809	0.6
342.12411	2.5
342.16190	0.9
343.13202	2.6
344.14075	3.1
344.17743	0.8
345.14996	0.8
346.11658	0.7
346.15573	1.6
348.13419	2.8
351.13266	1.1
354.12415	0.6
355.13574	0.9
356.13965	2.9
357.11002	0.6
357.14944	1.4
358.15555	3.4
359.16226	0.5
360.17325	0.8
368.13907	0.5
369.14713	0.7
370.15570	1.8
371.16687	0.8
372.17212	3.3
373.17963	0.5
384.17258	0.9
385.17960	0.7
386.14697	1.2
386.18832	1.6
387.15698	0.5
398.15271	0.8
400.16663	2.4
402.14798	0.6
403.15906	1.6
404.16147	0.6
408.15851	0.6
415.15329	0.6
416.15878	0.6
417.17239	0.8
418.17499	0.8
419.18594	1.3
421.16589	0.7
422.17957	0.9
430.17694	1.3
431.18732	1.3
432.19421	3.1
433.20538	0.8
434.19284	0.6
435.14325	1.2
436.19955	1.0
437.19955	1.6
446.20236	0.6
447.21597	2.1
447.30200	0.9
448.20532	0.7
449.15869	1.3
450.16891	1.5
451.17676	1.6
451.22742	0.6
460.18134	1.1
461.23386	1.8
462.24118	1.9
463.21765	2.1
464.17474	0.6
464.23322	0.7
465.18832	9.9
466.19073	0.6
474.20035	0.4
475.21802	0.8
476.19818	0.5
477.19397	0.7
478.20163	1.0
479.20578	4.1
480.21698	3.2
481.22510	2.3
489.23123	0.9
490.19949	0.8
491.21347	0.7
492.21591	2.4
493.22714	3.6
494.22931	0.7
504.21329	1.7
505.22189	0.6
506.23001	1.4
507.24319	3.7
508.21210	1.4
517.22327	1.7
520.20874	1.4
521.24463	0.7
535.23444	5.5
541.24115	1.4
549.25018	8.4
550.24261	0.6
552.23877	0.9
553.24890	1.3
563.23157	0.5
567.26050	48.7
568.26544	1.2
577.24530	1.1
595.25531	34.4
596.25940	1.0
609.27112	0.8
627.28137	100.0
628.28278	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68767	0.1
52.03154	0.1
53.03942	0.3
55.01869	0.4
56.05029	0.2
57.03437	0.7
59.04976	0.1
60.04520	0.1
61.02929	1.0
62.90741	0.1
65.03949	0.1
68.05025	0.1
68.99791	0.4
69.03432	2.3
69.07063	0.1
70.06594	1.1
71.04989	0.3
71.51647	0.1
72.08148	0.2
73.02902	0.4
73.37835	0.1
81.03420	1.2
83.01340	0.1
83.04980	0.1
83.26709	0.1
84.04495	0.3
84.08146	1.2
85.02908	6.5
86.06062	0.5
86.09708	0.5
87.04462	0.3
91.03947	0.4
91.05473	0.2
93.03385	0.3
95.04964	0.1
97.02895	2.3
97.19506	0.1
98.09675	0.3
99.04453	0.4
109.02879	1.1
110.07168	0.2
111.00811	0.7
119.04923	0.1
120.08113	0.2
121.02866	0.8
123.04453	0.2
124.03917	0.2
127.03920	1.5
129.10248	0.3
130.04976	0.1
133.89236	0.1
135.04446	0.1
136.07591	0.8
137.02341	2.5
137.03363	0.1
145.02930	0.1
145.04961	1.1
145.06100	0.1
147.04410	0.2
149.02292	0.5
153.00577	0.2
153.01830	3.0
154.30969	0.1
161.06017	0.2
163.03888	0.5
165.01826	1.9
166.02551	0.2
173.05992	0.3
183.02879	0.6
183.04320	0.2
185.05984	0.1
187.03941	0.2
191.07143	0.1
195.02933	0.2
201.05463	1.2
205.04938	0.1
207.03119	0.1
219.06500	0.3
228.04250	0.2
229.04971	3.4
239.03464	0.1
247.06174	0.6
257.04443	2.2
274.04721	0.8
275.05396	0.2
285.03931	1.1
303.04987	100.0
304.05347	0.7
316.27524	0.1
337.07089	0.1
345.06104	0.2
465.10309	8.7
506.05444	0.1
597.67914	0.1
615.22345	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01567	1.5
51.02382	1.7
52.38996	1.3
53.03948	6.8
53.38703	1.2
55.01863	3.8
55.05515	36.2
57.03440	9.1
58.10168	1.3
62.06082	1.8
62.61559	1.4
65.03928	5.3
67.05508	62.5
69.03412	4.2
69.07068	18.8
69.24942	12.7
71.04996	2.8
71.08620	1.8
79.05499	52.5
81.07061	66.2
83.04971	5.1
83.08608	11.8
85.06553	2.2
89.06043	2.0
91.05486	70.4
93.07048	49.3
94.07394	1.3
95.04978	7.3
95.08614	46.7
97.06536	3.6
97.10153	6.0
98.25851	1.5
100.67341	1.3
103.05468	3.3
105.04507	2.0
105.07035	52.3
107.04928	3.9
107.08598	26.4
109.06527	7.3
109.10162	18.5
111.08107	2.7
115.05447	6.2
116.06238	3.2
117.07022	32.2
119.08583	29.1
121.06493	3.4
121.10140	17.4
123.08061	4.2
123.11701	5.2
125.09626	2.9
128.06224	22.0
129.07011	23.3
130.07785	9.2
131.07600	3.2
131.08574	61.8
133.06500	4.0
133.10124	14.7
135.08037	4.8
135.10944	1.1
135.11719	11.0
137.09633	2.1
141.07045	7.2
141.09123	1.9
142.07768	4.9
143.08560	66.1
145.06512	1.6
145.10129	62.8
147.08038	5.7
147.11731	7.9
149.09604	4.4
149.13271	3.6
154.07785	3.4
155.08522	6.9
156.09320	2.4
157.10132	19.2
159.08044	3.4
159.11685	14.8
161.09630	8.1
161.13251	4.5
163.11156	2.5
165.07025	3.4
167.08546	3.5
169.10126	13.2
171.11716	15.9
173.09627	1.6
173.13229	6.8
175.11218	4.1
177.12775	2.4
181.10094	9.1
182.10861	1.7
183.11664	6.2
185.13245	6.4
187.11154	2.9
195.11726	16.1
199.11140	2.8
201.12727	2.5
209.13223	1.8
213.12625	2.0
215.12711	1.9
227.17897	3.9
237.16437	14.8
241.14470	1.6
245.19064	4.3
249.27342	1.7
255.17487	16.3
261.22192	3.7
273.18494	44.2
291.19534	3.8
329.20987	2.2
335.25809	100.0
336.26157	1.8
347.22171	19.8
607.43671	23.6
625.45197	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	625.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01873	1.1
55.05522	6.9
56.96540	0.9
57.03439	1.8
61.02928	1.9
61.77433	0.9
67.05509	18.7
69.03435	1.4
69.07082	5.7
70.06603	1.6
70.24406	1.9
70.24803	2.0
71.05003	0.9
79.05499	13.1
81.03427	1.3
81.07061	16.0
83.05003	2.2
83.08613	3.8
84.97304	0.8
85.02901	2.8
85.06577	1.2
91.03958	1.2
91.05486	20.5
93.07045	16.4
95.04957	2.3
95.08617	15.7
97.06562	2.0
97.10162	2.4
97.49025	0.9
98.21429	1.0
103.24863	0.9
105.07040	21.2
107.04950	2.1
107.08604	10.7
108.78194	0.8
109.06509	2.9
109.10176	3.5
111.04455	1.1
115.05476	1.2
117.07024	8.3
119.08588	11.8
121.01469	0.9
121.06501	2.8
121.10162	5.4
123.08072	0.9
123.11667	1.3
129.07016	8.3
131.08566	18.8
133.06522	2.0
133.10132	11.0
135.08083	1.8
135.11710	2.4
141.06987	2.7
143.08585	7.9
145.10114	9.3
147.08031	2.2
147.11676	2.2
149.09630	2.2
155.08580	4.7
157.10127	4.2
159.10620	0.9
159.11702	4.9
161.09663	1.2
161.13254	2.5
167.08615	2.1
169.10120	4.1
171.07994	1.2
171.11714	4.5
173.09647	1.2
173.13249	1.8
181.10107	3.0
183.11684	2.0
185.13272	3.6
195.11674	2.1
197.13321	2.3
199.14894	1.3
209.13319	1.2
211.14859	1.3
223.14922	1.4
247.16936	1.0
325.25189	1.2
335.23749	1.2
343.26321	2.7
353.24777	7.7
371.25842	9.1
389.26926	10.2
427.28458	1.8
432.16544	1.0
445.29547	100.0
446.29977	1.4
463.30560	26.5
607.34888	1.1
625.26123	1.4
625.43707	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	625.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.9
53.03943	2.4
55.01867	2.6
55.05514	9.1
57.03430	4.0
57.07074	1.7
59.51786	1.0
61.02895	1.1
62.45324	0.9
63.50263	0.9
65.03963	1.6
67.05506	27.2
69.03437	1.3
69.07066	9.4
69.25095	3.7
69.25526	4.7
69.96958	0.9
71.04992	3.0
74.79311	0.8
79.05493	20.3
81.03400	2.2
81.07059	25.7
83.04934	1.9
83.08620	5.8
85.02911	1.3
85.06545	1.5
91.03928	1.2
91.05481	29.4
93.07048	23.9
95.04962	3.9
95.08604	19.1
97.06522	3.2
97.10153	2.4
98.20809	2.0
103.05461	1.1
105.06320	1.4
105.07031	29.4
107.04975	2.2
107.08614	11.8
109.06515	3.3
109.10150	6.8
111.08057	2.2
115.05438	2.2
117.07016	14.9
119.08582	19.0
121.06507	3.9
121.10153	8.5
123.08069	1.9
123.11711	2.0
125.09644	1.3
128.06238	1.9
129.06990	10.0
130.07779	1.3
131.08568	23.6
133.06459	2.6
133.10121	13.0
135.08061	2.6
135.11736	4.9
137.09607	1.0
141.07002	3.9
143.08597	10.9
145.06464	2.4
145.10124	15.5
147.08061	2.7
147.11682	4.1
149.09622	2.9
149.13307	1.9
155.08566	7.0
157.10130	5.9
159.08061	1.8
159.11655	6.6
161.09583	1.6
161.13284	2.3
163.11143	1.5
167.08568	2.4
169.10115	5.6
171.08154	1.2
171.11668	7.2
173.09709	1.4
173.13269	4.0
175.11224	1.5
175.14780	0.9
181.10161	2.3
183.11687	3.4
185.09654	1.3
185.13249	3.9
187.11243	1.4
187.14789	2.3
189.16376	1.4
195.11696	3.8
197.13295	4.1
199.14806	2.5
201.12802	1.2
209.13324	1.7
211.14806	2.5
217.15933	1.4
221.13193	1.2
223.14874	2.1
225.16469	1.3
227.14246	1.4
233.15352	1.5
247.16960	1.2
255.17415	1.4
261.18384	1.2
273.18546	1.2
291.19397	1.1
322.68024	1.2
325.25357	2.8
335.23611	2.3
343.26346	4.6
353.24780	11.2
371.25739	12.2
389.26868	18.7
427.28546	2.3
445.29486	100.0
446.29407	1.3
463.30542	55.9
464.31134	1.3
513.36102	1.4
607.42981	2.0
625.43774	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	624.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05514	5.0
56.05044	0.7
57.03424	0.4
57.05801	0.3
60.04529	0.6
61.32967	0.3
67.05504	1.0
68.05046	0.9
69.03430	0.6
69.07070	0.5
70.02959	0.7
70.06594	100.0
71.04984	0.3
71.06932	0.8
71.52407	0.3
72.08157	36.8
74.06065	0.4
79.05487	0.8
81.03419	0.9
81.07057	1.5
84.04505	0.8
84.08144	3.4
85.02908	1.3
85.08485	0.6
86.06083	0.5
86.09715	3.0
88.04005	1.8
91.05487	1.3
93.07050	1.1
95.08607	0.9
97.02902	0.4
98.06087	0.5
98.09705	1.3
103.05482	1.1
103.42384	0.3
105.07024	0.8
107.08624	0.7
108.64651	0.3
109.02893	0.4
109.10240	0.4
110.07190	0.8
112.03896	0.3
112.08719	0.4
116.07108	0.7
119.04948	1.0
119.08655	0.4
120.08109	32.7
121.06522	1.0
121.10143	0.4
122.09665	0.5
123.08083	0.5
123.11703	0.3
125.07117	2.2
127.03875	1.0
129.10263	1.3
130.06532	0.5
135.11696	0.4
136.07590	0.9
140.10699	1.2
140.14317	0.4
141.10213	0.4
145.10110	0.4
147.04414	5.1
147.86928	0.3
158.15504	0.3
163.11188	0.8
166.08636	3.5
167.08186	1.2
169.13426	0.5
185.09225	6.7
191.11894	0.4
196.06062	1.9
197.12807	0.3
197.57829	0.4
213.05481	0.4
213.08727	5.5
217.09734	0.4
217.13390	0.6
219.14938	5.1
230.14755	0.4
236.09142	1.5
247.14374	2.1
263.13913	63.1
264.14221	0.6
301.11783	1.6
343.12811	1.3
346.17975	0.5
360.15640	1.7
362.17111	5.4
378.16611	20.4
379.16626	0.7
388.14847	1.2
408.30893	0.5
426.32233	0.8
432.54645	0.4
459.22510	0.7
467.14120	1.0
518.85791	0.4
525.23236	0.7
535.21484	0.4
575.08405	0.4
624.29877	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.1
53.03936	2.3
55.01866	3.3
55.05519	13.4
55.42465	1.0
57.03442	5.7
61.02930	21.7
65.03934	2.1
67.05505	34.5
69.03445	6.3
69.07066	11.0
70.06575	1.0
70.63884	3.2
71.01347	1.3
71.04994	3.3
73.02929	6.5
77.03903	1.0
79.05496	25.0
81.03436	5.4
81.07059	29.6
83.04963	4.1
83.08627	11.0
85.02915	19.6
85.06545	3.7
91.03960	10.2
91.05485	33.8
93.07050	24.2
95.04979	5.5
95.08610	18.9
97.02895	12.5
97.06516	6.7
97.10183	5.7
99.04462	1.5
99.08119	1.5
103.05471	2.9
105.04560	1.4
105.07037	27.0
107.04965	4.8
107.08594	10.1
109.02892	2.2
109.06525	3.9
109.10174	10.8
110.13715	1.0
111.04456	1.3
111.08085	2.7
115.05474	4.4
116.06234	1.1
117.07024	24.7
119.04942	1.5
119.08588	16.3
121.06504	4.1
121.10162	7.1
123.08064	3.4
125.09641	2.1
127.03902	4.3
128.06238	5.6
129.06049	1.4
129.07007	29.6
131.08575	32.1
133.06502	4.4
133.10132	10.2
135.08064	3.5
135.11690	5.0
137.09610	1.9
139.11076	1.6
141.06999	13.5
142.07793	2.2
143.08571	22.0
145.04979	1.8
145.06517	6.2
145.10132	16.7
147.08054	5.2
147.11679	3.9
149.09619	3.8
149.13249	1.2
151.11133	1.4
153.06995	2.7
154.07805	1.9
155.08559	20.7
157.06483	4.9
157.10124	13.8
159.08072	5.6
159.11699	9.5
161.09605	2.9
161.13289	1.2
163.11206	3.5
165.07066	2.1
166.07732	1.7
167.08539	10.8
169.10109	11.3
171.08029	1.8
171.11739	8.4
173.09637	2.4
173.13208	2.7
175.11218	2.9
177.12701	1.6
179.08582	4.3
181.10139	10.6
183.11674	6.1
185.09637	1.9
185.13252	6.8
187.11174	2.8
187.14873	2.3
189.12717	1.8
192.09314	1.3
193.10139	5.0
195.11642	9.5
197.13249	6.7
199.11197	3.0
199.14827	3.7
201.12831	3.4
203.14337	1.6
206.10936	1.3
207.11679	5.4
209.13255	8.1
211.11171	1.3
211.14854	5.6
213.12781	3.7
213.16528	1.7
215.14384	5.2
219.11667	1.8
221.13255	8.0
221.63339	1.1
223.14757	5.6
225.12640	3.0
225.16446	2.1
233.13228	1.8
233.15370	2.3
235.14842	5.4
239.14345	5.2
241.15926	2.7
243.13805	2.0
249.16426	1.7
253.15900	3.2
255.17412	1.3
257.15384	3.6
259.17026	2.2
267.17465	1.1
271.16907	4.7
285.18454	3.4
305.22623	2.2
315.21027	1.6
323.20352	1.3
323.23715	5.9
333.22122	10.7
341.24646	5.9
351.23206	40.1
369.24289	29.2
387.25372	16.4
405.26596	1.3
407.25607	2.2
415.28464	1.5
425.26697	8.9
433.29474	3.0
443.27960	100.0
444.28287	1.8
461.29013	70.5
569.30865	1.5
623.34027	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02250	0.4
54.02672	0.4
55.05475	0.8
55.31689	0.4
57.07022	0.9
67.05460	0.7
69.06995	0.6
69.29535	3.1
71.08609	0.5
73.02854	0.5
76.16656	0.4
81.06987	0.6
85.10101	0.5
87.04418	0.4
89.06034	2.0
91.05460	0.9
91.89246	0.3
93.07005	0.5
94.80064	0.4
95.08522	0.4
97.10082	0.4
97.55716	0.4
103.16505	0.4
105.06956	0.5
119.08504	0.4
121.81161	0.4
131.08446	0.3
133.08508	1.2
145.10037	0.4
177.11189	0.5
179.78783	0.4
190.29692	0.4
193.86198	0.4
237.13864	0.7
248.12999	0.4
261.90982	0.5
271.17056	0.6
311.29440	0.7
316.34494	0.5
321.80786	0.4
324.15045	0.5
377.17581	0.7
378.18680	0.7
388.17969	0.6
389.18243	0.8
390.18823	0.8
391.19214	2.5
392.19913	2.9
393.20801	1.3
399.16235	0.7
400.16980	1.6
401.17886	1.8
402.18997	0.8
403.19882	1.2
404.20535	1.7
405.21045	3.6
406.21518	3.0
407.22327	12.1
413.17749	1.5
414.18671	2.7
415.19266	4.0
416.20303	0.5
417.20969	1.0
418.17468	0.5
419.22464	1.4
420.22986	1.5
421.23892	9.2
421.29575	0.5
422.24753	2.4
427.19238	1.7
428.20071	3.0
429.20895	10.0
430.21866	2.1
431.18082	0.8
431.22958	0.5
432.19281	0.6
433.19928	1.3
433.24258	1.5
434.24707	0.5
441.16714	0.6
442.21863	1.8
443.22470	6.3
444.23660	3.2
445.20068	2.4
446.20969	0.7
447.18256	1.5
449.23019	0.9
452.22165	0.9
455.18628	0.9
456.19604	1.0
457.24921	4.0
458.24939	5.5
459.21982	6.3
460.23013	2.2
461.19189	5.5
462.20389	2.1
463.21179	0.6
470.20953	1.6
471.21796	1.7
472.22760	5.5
473.23392	2.1
474.20493	1.1
475.21210	5.1
476.21643	4.5
477.22565	2.1
478.23608	0.8
483.18112	0.8
484.19174	1.2
485.23535	11.2
486.20389	2.7
486.24377	2.3
487.20905	0.7
487.25443	0.5
488.22119	1.3
489.23016	3.6
490.23560	0.8
499.21222	3.1
500.22018	2.0
501.22888	0.6
502.23691	0.8
503.24503	6.8
504.21835	0.6
507.24036	1.3
508.28378	0.7
513.22888	3.9
514.23615	1.7
515.24835	0.7
517.26447	7.5
521.25519	1.1
529.26111	1.7
531.23932	0.8
535.27277	4.4
545.25519	70.6
546.25879	1.6
549.24817	0.7
558.22003	0.5
562.25848	0.8
563.25629	0.9
564.27246	1.6
573.24994	16.2
574.25458	0.7
591.26392	1.0
605.27618	80.1
606.27869	1.1
622.61737	0.6
623.28668	100.0
624.28802	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	622.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01864	3.8
55.05510	12.4
56.05034	1.4
57.03427	3.6
57.07063	2.8
59.05007	6.2
60.04510	1.1
61.02932	1.9
65.03941	1.3
67.05505	17.5
68.05011	1.1
69.03431	15.6
69.07071	27.3
70.06596	23.7
71.04982	2.6
71.06924	1.2
71.51971	1.1
72.08146	3.6
73.02916	1.1
74.06067	1.0
79.05497	12.7
81.03444	4.9
81.07059	46.6
82.18859	0.9
83.04964	3.6
83.08622	7.3
84.04495	4.5
84.08148	12.6
85.02905	6.8
85.06535	2.4
86.06099	0.8
86.09703	8.9
87.00814	1.6
87.05560	1.0
91.03999	0.9
91.05478	7.7
93.06488	1.3
93.07053	23.1
94.06599	1.3
95.04982	7.2
95.08611	59.7
96.04494	1.1
97.02891	4.7
97.06518	8.5
97.10178	3.9
98.09678	4.2
99.04432	2.7
99.08104	0.9
100.12302	0.8
105.01896	1.4
105.07037	12.2
106.58963	0.8
107.04967	2.6
107.08598	25.8
108.61029	0.9
109.02888	1.8
109.06516	7.4
109.10160	26.6
110.07156	3.8
111.04453	10.7
111.08073	3.5
111.11729	6.2
112.08750	0.9
113.09673	1.0
115.03929	1.3
117.07028	2.6
119.04943	1.1
119.08575	11.5
120.08104	4.2
121.06512	6.3
121.10143	31.1
122.06080	1.1
122.09642	1.2
123.04449	1.1
123.08062	3.0
123.11713	17.9
125.05997	5.6
125.09621	5.4
126.05552	1.4
127.03915	3.2
128.06221	1.5
129.10217	3.8
130.06549	0.8
131.08583	4.4
133.06516	1.3
133.10121	8.8
134.05995	1.3
135.04448	1.6
135.08080	6.1
135.11710	15.6
136.07594	2.2
137.09612	3.1
137.13252	22.5
139.07504	2.8
139.11205	7.1
140.14299	1.1
143.08508	1.7
145.10141	8.9
146.05984	1.0
147.04442	1.7
147.08115	1.9
147.11690	11.2
148.02934	0.8
149.06044	1.6
149.09578	3.5
149.13255	6.1
149.40717	0.8
150.09126	1.6
151.11159	4.1
153.09125	1.3
153.12726	5.4
157.10153	3.0
159.11671	3.9
161.09653	2.9
161.13226	5.5
163.11171	9.6
163.14775	2.2
164.56561	1.0
165.06908	1.5
165.09097	1.5
165.12785	3.4
167.10698	7.0
171.11702	1.2
173.09549	2.1
173.13289	3.1
174.09059	1.3
175.11171	1.9
175.14851	3.3
177.12700	1.3
177.16351	1.5
179.10684	1.7
181.12228	12.7
183.11678	1.5
183.14990	1.3
185.13266	1.2
187.14793	2.6
188.06914	0.9
189.16359	4.7
190.08615	0.9
191.10678	4.1
191.17816	1.1
193.12274	1.8
200.07024	0.9
201.12624	1.0
201.16380	1.0
203.14439	1.0
203.17966	2.7
207.17456	1.3
209.11681	2.8
215.18152	1.0
217.19504	4.7
227.12839	2.7
227.18018	1.1
235.20567	26.0
243.21164	1.9
245.18983	3.5
247.16879	1.5
257.22415	1.5
263.20062	12.8
267.21179	1.6
275.23611	4.4
285.22055	5.6
293.24866	1.6
303.23193	100.0
304.23431	1.5
321.24249	76.2
323.13715	1.0
339.25308	4.1
345.92957	1.0
381.42020	1.0
549.78766	0.9
551.28729	1.9
569.29327	2.1
604.31006	4.1
622.31476	4.9
622.48297	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2711
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
58.06607	0.8
67.05521	1.7
73.66301	0.9
79.05511	2.0
81.07041	2.1
85.02934	1.0
91.05494	1.6
91.60681	0.9
93.07040	2.3
94.06631	0.8
95.04913	0.9
98.20808	2.5
105.07034	1.3
107.08611	1.2
109.10179	1.1
119.08549	1.0
119.91172	0.9
120.08108	1.8
127.03953	1.0
129.07021	1.3
146.06111	1.0
161.47731	0.9
170.08443	1.0
172.84750	0.8
186.10616	0.8
197.10777	1.0
204.06540	1.1
209.10884	1.9
210.11548	2.3
221.10857	1.7
223.12337	2.2
224.13170	0.9
225.13939	3.7
235.08751	1.6
235.12215	1.7
237.13852	3.3
249.10374	1.9
249.13936	1.1
265.13278	1.0
275.08191	1.2
282.85812	1.0
335.10287	1.2
337.12064	1.4
338.16696	1.1
366.16028	2.3
390.15717	1.0
394.15491	1.6
403.19556	1.7
415.15375	1.1
416.16110	1.5
417.16739	1.5
417.21548	1.6
429.17343	2.7
430.18005	1.9
431.18518	3.1
432.19067	1.0
443.19046	1.9
444.19775	1.9
445.20300	2.3
446.21118	2.9
447.22076	3.4
454.17694	2.0
459.22202	6.1
471.18539	2.0
472.19177	1.2
473.24036	1.6
475.21454	2.3
486.20621	1.1
487.21466	11.8
501.23077	3.7
503.20700	1.2
515.20758	3.0
517.22845	1.2
519.24152	4.8
529.22467	2.6
531.20056	1.3
533.25598	4.7
547.23511	2.4
561.24988	100.0
562.25513	1.8
589.24573	11.4
621.27106	78.5
622.27570	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92954	0.5
54.44756	0.5
55.01867	0.8
55.05517	4.6
55.50479	0.6
55.87174	0.7
57.03428	1.9
57.07070	1.6
61.64794	0.7
61.67349	0.5
66.47768	0.7
67.05514	5.0
68.97193	0.6
69.07074	4.1
71.04993	0.9
71.08620	1.1
79.05492	3.0
81.07059	4.8
83.04960	0.8
83.08640	3.3
87.04487	3.1
91.05470	2.3
93.07069	2.8
95.04977	0.8
95.08617	4.2
97.06507	0.8
97.10174	2.7
105.07027	1.8
107.08608	2.2
109.10172	2.9
111.04411	0.7
111.08118	0.8
117.86711	0.6
118.21047	0.6
119.08589	1.7
121.06535	0.5
121.10150	1.6
121.42575	0.7
123.08109	0.9
123.11682	0.8
125.09623	0.8
131.08589	1.2
133.10118	1.8
135.07964	0.7
145.10107	1.0
145.92001	0.6
151.11124	0.7
157.10101	0.9
159.11755	0.8
172.24416	0.6
195.20689	0.6
201.21437	0.6
211.13240	1.1
273.18506	1.2
283.15173	14.4
283.18167	1.1
288.15900	0.7
291.19476	1.9
311.25864	2.3
313.27606	0.9
331.26413	1.2
337.27261	0.8
339.17877	4.3
347.42282	0.6
601.43634	1.1
619.41803	100.0
620.42023	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.19694	0.1
57.07056	0.3
61.93108	0.1
62.53998	0.1
67.05492	0.3
70.70251	0.4
71.08609	0.2
81.07056	0.3
83.04981	0.7
90.77193	0.1
95.08602	0.3
98.48511	0.2
105.07011	0.2
147.11699	0.3
166.32382	0.2
207.09285	0.2
209.10846	0.4
223.12425	0.2
235.12379	0.4
237.10068	0.2
251.11581	0.2
270.10306	0.2
286.13260	0.2
310.13599	0.2
311.14001	0.2
312.15045	0.2
313.27374	0.2
324.14877	0.3
340.14444	0.2
341.45145	0.1
359.21448	0.2
362.16055	0.2
363.16647	0.2
373.14407	0.2
374.15378	0.5
375.16074	0.9
387.16104	0.9
388.16766	0.9
389.17563	2.9
390.18542	1.1
391.19116	0.8
400.17603	0.3
401.18079	0.8
402.18890	1.5
403.15683	0.5
403.19501	4.3
404.20074	2.1
405.15839	0.3
405.20770	2.3
412.16995	0.2
415.19797	0.8
415.51898	0.2
416.16199	0.9
416.20178	0.8
417.16080	3.5
417.21082	2.5
418.17670	0.7
418.21649	0.9
419.22458	6.6
420.22986	0.6
429.16623	0.3
429.21420	0.3
430.17245	1.4
430.23013	0.2
431.18167	6.5
432.19284	2.9
433.15176	0.4
433.20135	2.3
442.17929	0.2
443.18637	0.6
444.19537	0.6
445.20163	5.5
446.20993	6.5
447.21823	9.0
448.22800	0.4
458.21338	0.3
459.17230	0.7
459.21848	2.0
460.19022	1.0
460.23871	0.3
461.19348	1.5
463.21289	0.5
471.18143	0.3
472.18585	0.2
473.19458	1.1
473.24103	0.8
474.20419	5.9
475.21240	7.3
476.22528	0.2
477.22723	0.3
478.23788	0.5
486.20602	0.2
487.21475	3.4
488.22229	0.6
489.22922	0.4
491.20010	1.2
492.25528	0.4
501.22839	2.3
502.23724	0.2
503.20609	0.3
504.21759	0.3
505.25616	1.3
506.23166	0.2
518.22961	0.7
519.19611	0.9
529.22455	0.7
531.36359	0.2
533.25543	15.2
534.26050	0.4
546.22913	0.4
561.24969	20.7
562.25201	0.7
565.27014	0.6
589.24701	0.9
593.27679	3.3
593.36658	0.1
621.27032	100.0
622.27338	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	619.2771
Annotation	azadirachtin I
Peak:m/z	Relative Intensity
50.36578	0.5
53.03949	0.9
55.01880	2.4
55.05505	0.9
56.05040	1.1
57.03438	1.0
60.04516	0.7
61.02925	0.9
65.03940	0.6
67.05513	3.4
68.05034	0.9
69.03438	1.5
69.07062	2.0
69.95456	2.0
70.06598	9.0
71.04997	0.6
72.08159	2.0
73.02926	0.9
79.05489	1.8
80.04992	1.0
81.03419	1.7
81.07072	3.8
82.06589	0.6
83.04967	0.5
83.08612	0.6
84.04508	2.2
84.08149	4.4
85.02920	2.6
86.06092	0.8
86.09716	9.2
87.05590	0.8
91.03993	0.8
91.05486	2.5
93.05814	1.4
93.07053	3.5
94.06580	1.1
95.04984	2.0
95.08602	2.2
97.02888	2.0
97.06528	1.4
97.10198	0.5
98.06052	0.6
98.09713	1.7
99.04470	0.7
103.05481	0.6
104.04874	0.5
105.07034	2.0
107.08618	1.8
108.04484	0.9
108.08137	5.4
109.02894	1.5
109.10175	3.4
110.07185	0.9
110.09686	1.7
110.10423	0.6
118.06533	0.6
119.04931	1.0
119.08601	0.8
120.08121	8.4
121.06513	2.1
121.10139	1.2
122.06010	0.6
122.09673	1.8
123.08067	1.0
123.76314	0.5
124.07590	0.9
127.03908	1.7
129.10236	2.1
130.05019	7.3
131.05347	1.8
131.08632	0.8
133.10109	0.9
134.06029	0.7
135.06825	0.5
135.11681	0.9
136.07591	36.0
137.09595	2.4
138.09998	1.2
141.10190	0.7
144.08104	0.8
145.05016	0.7
145.10149	0.8
146.06017	1.0
147.04411	0.7
147.11697	0.7
148.03984	0.5
148.07535	0.6
149.09727	0.6
150.09129	1.3
151.07547	2.7
152.07104	0.9
155.11864	0.7
159.11751	0.5
160.03957	0.8
161.04697	0.6
162.05544	0.8
163.11255	0.9
164.07079	8.8
165.09129	1.7
165.10419	0.6
166.08620	3.5
168.06679	0.8
169.08693	0.6
170.06053	0.7
170.08505	0.7
178.05013	3.6
185.07156	1.3
185.10791	0.7
187.05048	0.6
188.03644	0.8
191.10666	1.4
198.07809	0.7
199.08656	1.2
200.13963	1.2
201.06650	4.2
201.10283	0.9
201.59561	0.6
211.08678	1.3
213.06656	5.5
213.10152	2.6
223.08630	0.8
224.07417	0.6
224.09425	1.2
225.10245	1.1
225.13850	0.7
227.08179	2.2
227.11833	1.5
228.13469	0.7
229.09747	1.9
231.07718	2.1
233.16502	1.7
237.10278	1.6
238.08595	0.6
239.11885	1.7
241.09743	4.2
242.14240	0.7
246.11217	0.6
251.08022	0.7
253.13382	1.7
254.11806	0.7
255.07664	2.2
255.11346	3.1
255.15019	0.6
257.09161	1.7
257.12717	1.2
259.10934	0.8
265.09833	1.5
267.11200	0.6
269.09262	5.8
269.12500	0.7
271.06027	0.7
271.14395	1.1
273.08728	0.8
273.16028	5.3
275.10272	1.0
281.12915	4.7
283.10803	7.2
287.05438	1.0
287.10309	0.9
293.09225	1.9
294.21225	0.5
297.12238	0.6
299.13953	5.5
301.11813	2.0
303.13358	2.7
311.10297	33.5
319.13126	0.7
329.11346	100.0
341.21783	0.5
347.12378	1.8
347.16440	0.5
375.20386	1.4
397.89371	0.5
414.18683	0.8
422.20618	1.7
432.19016	0.7
438.20313	10.8
450.20328	6.9
583.24255	1.0
601.26544	8.7
619.23395	1.3
619.35913	1.1
639.79523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.05509	3.7
57.07080	21.9
60.81632	0.7
64.05077	0.7
67.05513	4.7
69.03437	2.8
69.07069	3.5
70.81792	1.9
71.04974	1.1
71.08637	46.4
71.18531	0.9
73.06564	2.0
75.58573	0.7
77.23691	0.7
79.05511	5.6
81.07059	6.1
83.04968	1.9
83.08636	2.0
84.08153	2.0
84.90938	0.8
85.09670	1.0
85.10187	24.4
87.04477	19.8
89.06036	100.0
91.05490	17.5
91.06027	1.5
93.07053	14.5
95.04974	4.7
95.08621	6.6
97.06516	1.2
103.05491	2.6
105.04549	1.4
105.07040	13.4
107.04972	3.7
107.07063	2.5
107.08611	9.9
109.06543	2.4
109.10174	2.8
111.04462	0.9
113.83724	0.9
117.07023	3.9
117.09159	1.1
118.07800	1.0
119.04952	2.8
119.08582	9.3
121.06516	26.0
121.10148	7.7
123.08070	6.1
125.09699	0.8
127.14848	2.4
128.06253	1.0
129.06996	1.1
130.07788	1.1
130.08664	3.0
131.07069	6.3
131.08574	5.7
133.08614	64.6
133.10071	6.6
135.08061	7.9
135.11682	3.8
136.05174	0.9
142.07744	1.4
143.08594	2.8
145.10123	5.4
147.08054	12.2
147.11682	1.8
148.08272	0.9
149.09621	8.4
150.06789	2.9
151.07521	5.3
157.10127	3.2
159.08060	2.1
159.11711	3.3
161.09608	2.1
163.11201	5.6
164.08371	1.3
165.09128	15.9
167.10703	8.0
169.10141	2.0
171.11818	2.1
173.09627	2.4
173.13310	2.5
175.09683	3.4
175.11229	2.2
177.11243	16.4
177.12729	1.7
179.08563	1.1
179.10652	1.2
181.10184	1.4
181.12228	2.6
183.11711	2.8
185.13246	1.6
187.11160	1.0
187.14810	1.7
189.12758	1.6
191.10707	4.3
191.14392	1.2
191.26396	0.8
193.12277	2.5
195.11784	1.1
197.13295	1.6
199.11284	1.5
199.14845	1.4
201.12776	1.6
203.14362	2.6
207.11784	1.7
207.13850	3.5
209.11642	5.5
209.13400	1.1
209.15161	1.2
211.11385	1.1
211.13272	1.9
213.12907	1.2
221.14038	1.3
221.15530	7.8
223.11282	1.0
223.14777	1.0
233.15332	1.6
235.13301	1.5
247.20595	18.1
247.23119	0.9
255.15933	1.1
273.22253	3.3
286.19077	1.2
287.20078	1.0
289.25223	2.0
291.23209	33.0
299.20117	1.0
317.24805	1.8
335.25708	4.3
359.20654	1.2
491.28799	1.0
507.35562	0.8
581.39709	1.4
599.40961	5.1
617.42371	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01876	2.4
55.05510	6.1
57.07078	26.0
59.04989	2.8
65.03931	2.6
67.05512	13.8
69.03431	8.3
69.07062	10.3
70.06591	4.7
71.08632	54.6
71.51876	3.0
71.52319	2.7
73.06562	2.2
75.56953	1.8
75.57455	1.8
77.10067	1.9
79.05497	10.4
81.07056	14.7
83.05001	7.2
83.08627	4.5
84.08140	2.9
85.06541	3.3
85.10188	27.4
87.04464	19.1
87.15247	1.8
89.06033	100.0
89.33415	2.1
91.05489	29.5
93.07040	32.1
95.04977	12.9
95.08620	17.4
103.05504	3.7
105.07034	26.1
105.10683	2.1
107.04955	4.7
107.08589	20.8
109.06559	4.9
109.10143	10.3
116.06200	2.0
117.07050	8.9
119.04922	2.6
119.08586	25.6
119.09232	2.0
121.06506	23.7
121.10145	24.1
123.08076	19.6
123.11724	4.2
125.06013	3.3
125.09672	5.1
127.14841	2.9
129.07047	4.9
130.08638	4.5
131.07083	7.0
131.08583	13.8
133.08600	63.9
133.10103	17.4
135.08031	12.4
135.11702	4.1
137.09637	5.7
141.45702	2.1
142.07819	5.5
143.08595	6.5
145.10146	17.4
147.08035	17.0
147.11722	6.5
149.09605	13.4
149.13330	3.0
151.07582	17.8
155.08589	6.0
157.10114	13.2
159.08066	4.5
159.11749	9.1
161.09659	7.7
161.13264	4.6
163.11189	13.4
164.08414	3.1
165.09102	26.2
167.08572	3.7
167.10690	21.9
168.09418	2.2
169.10197	6.7
170.10977	3.1
171.11726	8.0
173.09683	5.6
173.13332	6.9
175.09807	2.5
175.11209	3.7
177.09108	1.8
177.09764	2.2
177.11250	16.9
181.10266	2.4
181.12291	7.4
183.11775	5.7
185.09610	3.3
185.13344	5.4
187.11159	3.6
187.14951	3.3
189.12790	6.9
191.10768	3.2
191.14403	4.3
193.12326	4.6
195.11813	3.7
197.13350	5.7
199.14940	3.7
203.14429	6.3
207.11963	3.4
207.13892	8.6
208.14629	2.4
209.11681	3.2
209.13481	2.4
209.15326	3.2
211.14998	3.1
213.12753	3.6
221.13403	2.9
221.15384	31.1
223.14818	3.6
227.14299	3.3
233.15504	8.4
237.12851	2.3
241.16086	2.6
247.17186	2.6
247.18321	2.2
247.20575	15.2
256.26459	3.0
259.95294	2.1
273.18854	2.3
273.22018	3.5
275.20288	2.5
287.20203	2.5
289.25537	2.7
291.23242	32.9
299.20084	2.1
300.29117	2.5
302.07712	2.0
311.20117	3.9
335.26013	5.3
373.40445	2.0
391.26682	2.8
483.60376	2.4
581.39972	5.0
599.40930	21.6
617.42175	68.8
623.56915	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	617.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
54.35184	0.7
55.05504	1.4
57.07073	1.0
67.05507	4.7
69.07061	2.5
71.52552	1.1
75.68755	0.7
79.05492	2.6
81.07060	6.0
83.08618	1.1
86.50259	0.7
91.05468	2.0
93.07037	3.1
95.04955	0.7
95.08628	3.2
97.06529	0.7
105.07043	2.5
107.08586	2.1
109.06553	0.9
109.10141	2.2
109.80467	0.7
119.08608	1.8
121.10178	2.1
123.08044	0.9
131.08549	1.1
133.10126	1.1
135.11705	1.1
143.05965	0.7
157.10126	0.8
159.11673	1.0
161.13170	0.9
233.11417	1.1
259.41766	0.7
270.80017	0.8
283.15179	12.3
339.17865	3.4
370.00760	0.8
533.11145	0.9
552.55658	0.8
593.40790	0.8
617.40247	100.0
618.40820	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40239	0.3
55.05510	0.8
56.05035	0.8
57.03428	0.8
58.06599	1.2
60.04522	0.4
61.02927	3.2
64.50710	0.3
67.05495	0.5
68.05032	12.1
69.03419	1.8
69.07054	0.5
70.06596	100.0
71.04994	0.6
71.06944	0.7
71.51572	0.5
72.08168	2.6
73.02920	1.9
74.06089	0.4
81.03418	0.8
82.06577	0.7
84.04497	1.8
84.08148	12.6
85.02909	3.6
85.08505	0.4
86.06071	41.1
86.09708	24.1
87.04479	0.4
91.03954	1.8
91.05516	0.9
95.85976	0.3
96.04517	1.2
96.08183	0.5
97.02899	2.2
98.06061	8.0
98.09696	6.4
99.04459	0.4
99.10037	2.5
100.07629	1.4
100.10361	0.5
101.07179	0.4
102.05585	0.8
110.07144	0.7
112.07622	0.5
112.94648	0.4
114.05536	1.6
115.03969	0.4
115.08677	0.3
119.04957	0.7
120.05350	0.6
120.08145	0.9
121.06581	0.5
122.06067	0.4
126.05533	4.1
126.12835	1.0
127.03953	0.7
127.08665	0.3
127.12318	0.7
127.13193	0.5
128.07079	2.6
128.10739	1.4
129.06685	0.3
129.10239	1.8
130.05057	0.4
132.10220	1.5
136.07620	0.9
138.09157	0.4
140.14328	1.9
141.14737	1.0
142.05055	1.3
142.08691	0.3
143.11877	0.3
147.04391	2.7
148.04787	1.6
149.04987	1.0
150.05292	0.5
152.05669	1.6
153.13878	0.3
155.08214	0.4
155.15428	0.4
156.10280	0.3
158.15431	0.8
159.15785	0.3
167.15472	0.6
181.13356	0.6
183.11414	1.0
183.14943	16.9
187.14378	0.4
199.14420	1.9
200.14084	0.7
211.10992	1.8
211.14420	25.9
216.22192	0.3
217.80405	0.3
225.16061	0.5
227.14008	1.0
228.13525	0.8
229.15463	0.4
245.14984	40.0
248.11443	0.6
253.15604	0.9
287.05655	0.8
287.16220	1.3
324.19403	0.7
331.18683	0.4
342.20239	10.4
371.18283	0.6
403.06070	0.3
407.20239	24.0
410.66821	0.4
455.28656	24.6
486.24548	0.5
497.29749	2.0
504.25568	14.9
571.83386	0.4
617.23608	1.2
617.33472	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43507	0.2
54.04177	0.2
55.05519	0.8
56.05039	1.0
57.03433	0.2
58.06606	3.8
60.04527	0.1
61.11716	0.2
62.43045	0.1
66.47338	0.1
67.05511	0.4
68.05029	0.6
69.03431	0.9
70.06601	6.2
71.04974	0.2
71.30163	0.1
72.08155	0.6
72.79690	0.1
74.06091	0.5
79.05502	0.3
80.38673	0.1
81.03432	0.3
82.06589	1.3
83.04990	0.3
84.08151	100.0
85.02899	0.7
85.08495	0.3
86.06078	0.3
86.09717	0.7
91.05501	0.2
94.06580	0.2
95.04987	0.4
96.08141	4.4
97.02912	0.5
98.06065	0.3
98.09697	1.0
99.04507	0.2
100.07632	3.1
100.36358	0.1
102.05571	0.3
102.09211	0.4
106.06577	0.4
110.06064	0.4
110.09702	0.8
111.04456	0.2
112.07623	1.8
114.09222	0.2
120.08084	0.7
122.06033	0.2
122.09705	0.9
124.07619	1.1
127.03938	0.3
127.12331	16.2
128.07091	0.2
129.10272	0.8
130.08673	0.5
136.07654	0.4
138.09091	0.7
140.07092	0.2
142.08647	3.5
147.04448	0.3
150.09181	0.5
152.10732	0.9
153.01888	0.4
156.10216	3.1
164.09209	0.2
165.01956	0.2
166.08574	0.1
167.11935	0.1
169.13332	0.7
170.11761	2.5
172.44946	0.1
184.09723	1.4
187.14433	1.0
198.11299	0.3
202.10811	0.5
203.10335	0.2
211.14439	0.3
212.12862	0.3
213.05428	0.2
220.11830	1.5
228.12267	0.2
244.11819	3.3
254.13972	0.2
258.13394	0.3
274.12866	0.2
286.12881	0.5
287.05524	9.5
288.14551	0.5
313.17651	1.1
314.15918	1.3
331.18661	7.3
511.25778	0.2
600.20813	0.7
617.23450	55.2
618.23566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.9
53.46928	1.9
55.01868	5.6
55.05275	2.4
55.05515	39.5
57.03440	13.5
57.07067	7.4
59.05001	2.0
65.03945	2.7
67.05509	100.0
69.07072	25.5
71.08635	3.5
79.05498	30.7
81.03415	2.7
81.07058	64.9
81.10786	2.3
83.04983	4.0
83.08623	23.4
85.02911	11.3
85.06522	4.4
87.04466	7.7
90.39505	2.7
91.05489	16.5
93.07053	22.6
95.04962	3.7
95.08618	46.3
97.02934	2.3
97.06536	4.4
97.10185	25.5
99.08087	2.5
101.31817	2.0
105.07037	9.0
107.08599	18.5
108.48219	2.0
109.06545	4.7
109.10155	50.9
111.08100	3.8
117.07026	3.8
119.08593	14.6
121.10149	12.2
122.62274	2.0
123.08140	3.0
123.11720	7.2
125.09646	20.4
129.06967	2.4
131.08585	3.8
133.10170	7.2
134.06049	2.4
135.11716	3.6
136.07597	11.5
137.13229	2.7
143.10677	5.8
145.10191	3.3
147.11722	4.9
149.13281	4.8
157.10255	2.3
163.11208	3.6
170.51819	1.9
173.11790	14.1
175.14825	3.2
189.37891	2.3
198.06372	2.4
199.13333	11.8
209.11618	2.5
227.12791	6.5
229.14349	43.7
229.53166	2.7
263.23773	4.5
278.17578	5.4
301.16516	10.9
306.17010	7.3
309.19464	2.1
337.27386	75.7
355.01703	2.1
362.19730	2.5
365.27066	2.7
461.36652	3.0
479.37405	10.3
491.37433	18.7
535.92395	2.2
563.39307	4.7
588.40686	2.3
616.41144	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	616.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
56.05051	0.5
57.03425	0.5
61.02924	0.3
65.03934	2.0
67.05508	1.9
68.05002	0.5
69.03419	1.1
69.07057	0.5
70.06593	8.9
70.68589	0.6
70.68928	0.3
71.04974	0.4
71.06921	0.3
72.08160	1.8
74.64939	0.2
79.05486	0.6
81.03435	1.4
81.07066	0.7
84.04494	1.0
84.08144	4.9
85.02905	2.3
86.06094	0.6
86.09226	0.3
86.09710	3.1
87.05621	0.2
91.05482	14.7
93.07041	0.5
95.05018	0.3
96.08104	0.2
97.02898	1.0
98.09693	46.4
99.04450	0.6
99.09993	0.3
102.05589	0.4
103.05485	0.3
105.07049	1.4
107.04960	0.4
109.02863	0.8
109.06541	0.4
109.10178	0.6
110.07159	0.7
111.10476	0.6
112.08743	0.3
112.11260	0.5
119.04945	34.5
120.08100	1.0
121.02870	0.6
121.06513	0.3
127.03951	0.5
129.07019	0.5
129.10242	1.0
133.06516	1.9
134.07277	1.9
136.07611	0.8
140.14345	13.9
145.04999	0.3
147.04410	100.0
148.04756	0.5
151.07596	0.5
152.07045	0.6
157.06526	0.9
158.15408	19.4
183.14868	0.4
185.06000	2.1
194.96284	0.3
251.10701	0.4
261.09106	0.6
261.38644	0.2
279.10138	7.1
291.08655	0.5
297.11218	5.0
303.13297	1.3
303.18292	0.3
441.15146	0.3
454.19995	0.6
454.25775	0.6
459.16602	0.7
546.71490	0.3
580.27490	0.2
616.31177	71.5
617.31519	0.8
629.24908	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77628	0.6
53.03932	0.7
55.01880	3.2
55.05517	7.6
56.05042	3.2
57.03439	2.7
58.99590	11.5
60.04505	0.8
65.03948	1.6
67.04281	0.6
67.05511	19.1
69.03434	3.1
69.07072	7.0
69.17511	6.4
70.02592	1.1
70.02958	17.4
70.06600	5.7
71.04993	2.1
72.04479	0.7
72.08154	1.0
74.00668	5.7
74.02437	2.2
76.02233	33.4
76.04002	6.7
79.05505	12.2
80.05007	1.3
81.03418	2.0
81.07063	24.2
82.06554	1.2
83.05005	4.0
83.06096	3.1
83.08624	3.6
84.04048	1.2
84.04511	12.4
84.08153	5.4
85.01134	1.7
85.02896	2.5
85.04034	0.8
85.06542	2.6
86.00647	2.2
86.06064	1.1
86.09698	2.2
86.99056	3.0
87.02699	0.7
88.02207	2.6
88.03991	1.8
91.05487	18.5
93.07058	15.8
94.06565	1.2
95.04976	4.4
95.08608	9.0
96.04504	0.9
97.01129	3.9
97.02885	1.1
97.06526	2.7
97.10142	0.7
98.09701	3.1
98.20697	1.0
99.02685	1.7
99.04494	1.3
99.05577	5.8
99.08082	0.9
100.02206	1.5
102.00134	3.4
102.05500	1.1
105.04553	0.7
105.07034	17.3
105.07697	1.3
107.04973	4.2
107.06059	0.8
107.08605	14.4
108.08177	0.9
109.02908	0.7
109.06517	3.7
109.07649	1.2
109.10159	22.8
110.06036	0.6
110.07179	0.9
111.02643	1.7
111.08070	2.5
112.02193	2.2
113.00607	1.2
113.04196	0.6
113.06005	1.5
114.00135	2.0
114.03790	1.4
116.01683	19.4
116.03412	3.8
117.07070	1.9
119.04958	0.8
119.08605	5.7
120.08102	2.2
121.06490	3.1
121.10158	3.3
123.02670	1.4
123.08046	1.7
123.11695	3.3
124.02168	1.0
125.04216	1.6
125.09620	0.9
127.03950	1.9
127.05015	0.9
127.07577	1.1
128.01677	2.0
128.06186	1.4
128.10724	0.6
129.06648	4.3
129.10243	1.2
130.05023	5.8
131.08565	4.0
133.06512	1.0
133.10150	26.4
135.08067	5.3
135.11714	3.0
137.04233	1.0
137.09602	3.0
138.03770	0.8
139.02118	0.8
141.04828	0.7
141.07350	0.9
142.03230	7.7
143.08565	2.6
144.01160	8.1
145.06093	100.0
145.10017	3.2
146.02754	0.9
147.08061	1.5
147.11691	1.5
149.04247	0.7
149.09619	2.8
149.13260	1.0
151.05801	4.5
151.11185	12.4
153.06621	2.1
154.99283	0.7
155.08246	1.9
157.10155	2.4
159.11714	1.9
160.00613	0.6
161.09619	2.6
161.13219	1.0
162.02225	24.2
163.11211	0.9
167.10689	0.9
168.08395	0.8
169.06895	2.0
169.12248	4.0
170.02745	2.6
171.11653	1.4
173.13252	0.8
173.28104	0.7
175.11160	0.9
177.03288	5.1
177.12721	0.7
178.12273	0.8
179.04865	38.0
179.10690	2.1
181.06078	1.5
185.13219	0.8
187.05396	2.6
187.07814	1.7
189.03258	1.0
189.12755	0.9
194.69272	0.7
196.07970	0.9
199.07237	3.7
212.11090	1.1
215.04834	1.9
215.12831	4.7
223.13350	1.0
233.05928	5.6
236.11070	2.4
245.05997	2.2
250.12666	1.9
254.12157	5.3
266.12085	0.9
268.13776	2.2
272.13162	1.4
273.18463	5.4
274.10281	6.3
275.20053	1.2
278.12234	0.7
280.13687	0.9
282.11713	1.1
286.14771	2.2
291.06430	1.0
291.19559	15.6
293.21130	1.3
299.10645	0.7
300.12677	1.1
306.07593	1.4
306.15439	1.0
307.17438	0.9
308.09155	8.5
309.20667	8.9
311.14319	2.9
323.16699	0.9
330.19180	1.0
331.13382	1.1
331.16959	1.0
339.13705	4.1
348.20062	4.2
349.18463	2.4
357.14673	4.9
366.20908	7.6
367.19318	1.1
371.16345	3.5
372.14807	0.8
384.22058	15.0
441.59192	0.8
451.22598	13.2
469.23694	35.5
470.22641	1.2
487.24686	9.2
496.36243	0.7
541.25958	8.6
598.27521	2.2
616.28583	11.3
616.44733	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
53.03941	1.6
55.01859	0.5
55.05515	12.4
57.03443	3.2
57.07081	4.9
65.03938	1.2
67.05509	27.6
69.03418	0.4
69.07074	16.6
69.30196	1.9
69.30614	0.9
71.05003	1.0
71.08626	2.2
77.03915	0.4
79.05499	15.6
81.07063	30.1
82.07404	0.5
83.04983	1.3
83.08153	0.5
83.08625	7.7
84.71999	0.4
85.06545	1.0
85.10190	1.2
89.06039	1.4
91.05486	12.4
92.16548	0.3
93.07051	22.5
95.04976	1.1
95.08611	23.7
96.08913	0.7
97.06536	1.8
97.10170	5.3
99.08087	1.0
101.06068	0.4
103.05485	0.5
105.07040	14.1
107.08600	12.7
109.06513	0.6
109.10159	9.8
111.08102	1.2
111.11743	1.0
113.09637	0.5
115.05444	0.4
115.87614	0.4
117.07021	3.9
119.08590	16.5
121.10153	10.5
123.08053	0.5
123.11725	4.4
125.09648	1.3
125.13297	0.5
129.07010	2.4
131.08575	9.9
131.09544	0.7
132.09132	0.4
133.10143	10.7
134.10551	0.4
135.08070	0.5
135.11710	5.9
137.09686	0.6
137.13268	2.2
139.11278	0.5
143.08575	2.4
145.10133	10.7
147.11697	6.1
149.09644	0.5
149.13271	4.5
151.14862	0.8
153.12775	0.4
155.08620	1.2
157.10153	3.7
159.11702	6.2
161.03249	0.4
161.09502	0.4
161.13284	4.5
163.11223	0.6
163.14845	2.8
167.14479	0.4
169.10159	1.5
171.11688	3.5
173.13289	4.1
175.14839	5.0
177.12755	0.5
177.16403	1.3
183.11734	1.5
185.13243	2.5
187.14825	3.0
189.16368	3.0
191.17981	0.8
197.13313	1.0
199.13289	0.4
199.14893	2.0
201.16388	2.7
203.18004	1.5
205.19598	0.9
211.14891	0.9
213.16420	1.1
215.14325	0.5
215.17986	1.9
217.19533	1.1
219.21143	0.7
221.22777	0.4
223.14684	0.5
225.16393	0.6
227.18155	0.7
229.19527	0.9
231.21114	0.6
233.22595	0.8
239.18158	0.5
241.17645	0.5
241.19711	0.8
243.21260	0.9
245.22766	1.1
247.24342	0.4
255.21437	0.4
257.19220	0.6
257.22650	0.5
259.20685	1.2
259.24271	0.7
260.20697	0.4
261.22141	2.4
271.24228	0.5
273.22134	0.6
277.21637	0.6
279.23361	0.5
285.22131	0.4
287.23822	1.1
287.27655	0.5
299.23734	0.6
301.25351	0.9
306.18176	0.4
311.26065	0.5
315.26810	0.9
317.24850	0.6
323.26041	0.5
335.25784	2.9
337.27451	2.7
339.29147	0.5
349.27539	0.5
397.34860	0.7
399.36429	0.4
421.35080	0.5
431.35397	0.8
435.30759	0.4
475.33780	0.6
491.37613	0.6
503.36917	0.9
511.32095	0.4
523.45032	4.5
531.40649	1.5
541.46149	2.3
545.42029	0.9
559.46954	0.4
597.48822	7.5
615.49835	100.0
616.50385	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.05515	15.7
57.03434	3.5
57.07069	3.7
64.86683	1.0
65.03942	1.2
67.05509	37.4
68.53602	1.0
69.07070	18.1
69.36954	1.7
69.37359	6.3
71.04977	0.9
71.08643	2.6
74.61803	0.9
79.05497	18.7
81.07059	41.8
81.51884	0.9
83.04976	1.6
83.08625	12.2
85.06546	1.5
85.10215	1.5
89.06062	1.6
91.05479	15.0
93.07047	26.1
95.04993	0.9
95.08612	37.0
97.06541	2.2
97.10184	4.3
99.08062	1.5
105.04548	1.1
105.07042	17.4
107.08602	15.6
109.10160	18.8
111.08057	1.9
111.11711	1.4
117.07040	4.1
119.08578	16.1
121.10142	13.1
123.08087	1.0
123.11710	7.7
125.09660	1.8
129.06969	1.1
131.08582	9.6
133.08685	1.1
133.10143	14.5
135.11679	10.3
137.13249	3.8
139.11243	1.8
143.08618	2.8
145.10117	10.4
147.11693	9.8
149.13281	7.5
151.11293	1.2
151.14847	1.0
155.08540	1.2
157.10138	2.4
159.11703	7.9
161.13272	6.5
163.14865	3.6
169.10222	1.1
171.11746	2.8
173.13312	3.8
175.14850	4.4
177.16422	1.2
185.13329	1.7
187.14893	4.1
189.16434	3.1
191.17856	1.0
197.13380	1.3
199.14857	2.7
201.16481	2.5
205.19707	1.3
211.14828	1.1
213.16476	1.6
215.18118	1.8
231.21198	1.2
241.19649	1.3
243.21178	2.5
259.20645	2.3
261.22165	5.9
273.22232	1.2
277.21683	1.3
287.23651	1.9
323.25754	1.5
333.24380	2.7
335.25851	6.0
337.27386	8.1
339.29150	3.0
373.51495	1.0
523.45184	5.0
541.46362	2.6
565.41187	1.9
573.85590	1.1
597.48785	10.2
615.49841	100.0
616.49915	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01878	0.8
55.05515	13.6
57.03443	4.1
57.07080	4.3
60.87609	0.4
65.03940	1.8
67.05508	37.6
69.07072	16.2
70.63956	0.7
70.64275	0.6
71.04984	1.3
71.08628	2.0
72.93984	0.4
79.05496	19.1
79.05962	1.0
81.07062	40.2
83.04984	1.1
83.08626	10.4
85.06546	1.6
85.10180	1.3
89.06005	0.6
91.05484	14.4
93.07048	26.3
95.04975	1.8
95.08614	33.9
97.06541	2.0
97.10172	5.4
99.08160	0.9
103.05415	0.7
105.07035	15.5
105.20254	0.6
107.08600	16.5
108.60983	0.4
109.06518	0.8
109.10163	16.2
111.08088	1.3
111.11729	1.6
113.09640	0.7
117.07029	4.7
119.08589	14.3
121.10153	13.6
123.08062	1.0
123.11712	6.8
125.09624	1.1
129.07025	1.8
131.08571	10.8
133.10139	10.5
135.08081	0.7
135.11694	10.0
137.09651	0.6
137.13281	2.2
139.11177	0.7
141.07025	0.5
143.08594	2.6
145.10129	7.7
147.11699	8.2
149.13264	6.6
151.14842	1.5
153.12733	0.6
155.08617	0.8
157.10123	2.4
159.11693	6.0
161.13258	6.6
163.11188	0.6
163.14828	4.2
165.16415	0.9
169.10165	0.6
171.11693	2.3
173.13268	5.1
175.14832	2.9
177.12793	0.7
177.16435	1.8
179.18040	0.7
183.11623	0.9
185.13293	2.4
187.14825	3.3
189.16434	1.6
191.14313	0.8
191.17995	1.1
193.19507	0.5
197.13286	1.1
199.14897	1.1
201.16426	1.5
202.18243	0.5
203.17964	1.1
205.19490	1.1
213.16492	0.8
215.17950	1.1
217.19551	0.6
219.21143	1.1
225.16420	0.5
229.19594	0.9
231.21146	1.3
233.18996	0.6
233.22783	1.2
241.19736	1.0
243.21138	1.7
245.22684	1.2
247.20636	0.8
257.19308	0.5
257.22717	0.6
259.20615	3.6
261.22205	6.8
261.25085	0.6
261.25992	0.4
263.23734	2.0
265.25058	0.7
273.22256	1.1
275.23688	1.1
277.21805	0.6
279.23251	1.0
287.23788	1.3
289.25366	0.8
291.23273	0.6
301.25180	1.0
303.26559	0.6
307.80859	0.4
315.23141	0.4
315.26859	0.6
317.24817	1.3
329.28528	0.5
333.24292	2.0
335.25836	8.7
337.27377	11.1
337.31171	0.8
339.29004	4.1
343.29810	0.7
361.27228	0.7
371.33264	0.6
475.38443	0.5
491.37302	0.9
503.37338	0.9
505.44458	0.8
517.39063	0.8
523.45074	3.5
531.40582	0.9
541.45856	2.5
545.42133	1.5
597.48834	12.1
615.49854	100.0
616.50073	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11958	1.6
53.03943	8.9
55.01866	3.5
55.05514	16.8
56.26944	1.6
57.03431	4.8
57.07071	8.6
59.05006	3.5
61.02912	5.1
65.03941	2.1
67.05510	29.3
69.03434	25.7
69.06721	2.7
69.07070	27.5
70.06587	3.3
71.04987	8.8
71.51954	2.2
72.08135	2.0
73.02921	4.9
75.01150	1.6
79.05487	19.8
80.25644	1.9
81.03423	19.2
81.07056	62.1
83.04961	7.3
83.08618	12.7
84.08151	3.9
85.02911	85.0
85.06545	17.9
86.09697	1.9
87.04501	1.9
91.05486	20.5
93.07045	39.1
95.04990	10.9
95.08613	57.0
97.02898	32.5
97.06520	12.8
97.10162	7.0
99.04462	49.0
99.08067	5.1
103.03946	88.6
105.07040	26.5
107.04980	2.7
107.08604	37.2
109.02888	20.5
109.06515	7.3
109.10163	49.2
111.04412	2.0
111.08095	4.2
111.11714	4.6
113.09676	7.7
115.05444	2.0
117.07008	5.7
119.08591	31.1
121.06520	8.4
121.10150	44.7
123.08083	10.3
123.11713	28.4
125.05979	2.5
125.09631	12.2
127.03925	100.0
128.06238	3.6
129.07010	4.6
131.08575	12.7
133.06505	3.3
133.07614	2.2
133.10143	21.9
135.08038	5.9
135.11693	19.4
137.09622	4.6
137.13246	11.1
139.11217	4.6
142.07806	3.1
143.08568	11.1
144.08034	1.8
144.09258	1.9
145.04968	53.7
145.10150	12.9
147.08046	5.8
147.11682	14.4
149.05975	1.8
149.09583	9.3
149.13249	14.1
151.07544	10.0
151.11166	2.7
151.14832	5.3
153.12697	1.8
155.08566	4.7
155.10635	1.7
156.09375	4.6
157.10139	11.0
158.10828	1.6
159.08083	5.8
159.11707	9.0
161.09647	5.6
161.13280	10.1
163.06027	33.4
163.11217	7.6
163.14822	17.8
165.09116	7.2
165.16399	3.9
167.10670	25.2
167.14369	2.1
168.09309	1.7
169.10143	4.0
171.11667	6.4
173.09659	3.9
173.13249	6.5
175.07454	2.1
175.11176	4.4
175.14832	6.0
177.16447	8.2
179.08540	2.2
179.10698	2.9
179.14302	2.0
181.10057	3.4
181.12233	5.6
181.15834	7.9
182.10759	2.1
183.11700	5.8
185.09634	2.3
185.13251	3.8
187.06053	6.9
187.11217	2.6
187.14728	2.5
189.12746	5.5
189.16399	3.6
191.14299	2.6
191.17862	8.5
193.10173	2.1
194.11012	1.7
195.11667	3.4
197.13239	4.1
199.11140	3.7
199.14886	3.1
201.12712	2.9
203.14388	5.4
203.17987	7.4
205.07062	6.2
205.19543	4.0
207.11697	3.4
207.13739	4.2
207.17465	2.6
209.13242	4.2
211.11127	2.7
211.14850	3.0
213.12717	2.4
213.16342	3.2
215.14302	4.9
217.19530	7.1
221.13327	2.9
221.15361	12.4
221.18959	2.2
225.12764	2.9
225.18394	2.7
231.13759	2.0
233.13266	2.6
233.15393	16.9
235.20592	3.5
247.16908	2.5
247.24246	7.1
265.25159	1.9
271.08194	4.1
273.18631	2.1
273.25699	12.2
285.18524	2.2
289.09225	3.1
291.26801	15.4
297.18417	2.3
299.20102	4.4
303.19788	2.3
307.10226	4.6
309.16873	2.4
309.27878	13.3
311.20221	3.1
381.27954	2.9
393.23730	1.8
399.29153	2.4
407.25912	3.5
435.30600	2.1
477.32150	2.9
543.32587	2.0
597.39581	9.4
615.31061	2.9
615.40601	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90519	0.5
53.03932	1.5
55.01870	1.6
55.05515	5.9
57.03419	1.4
57.07079	2.0
59.04994	1.2
65.03944	0.8
67.05509	9.7
69.03091	0.5
69.03433	10.1
69.07074	11.6
70.02727	1.9
70.06592	1.1
71.04996	10.2
73.02904	0.5
73.06558	0.5
79.05497	12.1
81.03430	7.3
81.07062	19.2
83.04975	5.7
83.08629	5.2
84.08144	0.6
85.02905	1.2
85.06540	2.3
86.09729	0.6
87.04498	0.7
91.05479	7.1
93.07050	21.1
93.07644	1.0
95.04974	3.3
95.08613	14.6
97.02865	0.6
97.06541	5.2
97.10169	6.8
99.04473	2.6
99.08087	1.6
103.05433	0.6
105.07038	11.9
107.04981	3.1
107.08601	37.2
109.02890	5.6
109.06535	6.4
109.10162	11.9
111.04394	0.6
111.08097	7.3
113.06023	0.8
115.07571	3.4
117.07039	2.0
119.08591	5.4
121.06522	8.2
121.10153	17.9
123.08086	3.3
123.11726	3.7
125.06034	1.0
125.09639	13.4
127.03940	6.0
127.07565	0.7
129.09087	1.7
131.08569	5.3
133.10150	6.9
135.08067	11.0
135.11702	6.0
137.09628	3.7
139.07539	1.6
139.11179	1.1
143.08533	0.9
143.10661	1.2
145.10133	7.9
147.11682	6.3
149.09622	8.9
149.13275	6.5
151.07565	0.7
151.11200	7.8
153.09122	5.5
158.10828	1.0
161.09593	0.7
161.13298	1.3
163.11185	14.7
163.14830	10.7
165.12720	3.3
167.07092	0.5
167.10683	5.3
169.08620	3.5
173.09627	0.9
173.13278	12.6
179.14342	0.7
181.12279	3.2
185.11754	1.1
191.10701	9.3
191.14317	26.1
197.13167	0.5
209.11906	7.0
209.15370	31.2
227.13051	13.8
227.16428	100.0
228.16637	0.8
269.13843	1.6
287.05557	0.7
289.14407	0.7
317.13763	1.5
335.14896	1.3
353.15979	5.5
371.16885	3.3
494.69907	0.5
615.31915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.4
57.07079	58.9
67.05503	8.8
67.78718	1.4
69.07074	7.9
69.41861	1.3
71.08639	54.2
71.52407	1.3
73.06557	6.1
79.05511	6.9
81.07079	7.8
83.08620	4.8
85.06567	1.4
85.10192	31.6
87.04504	6.9
89.06038	100.0
91.05482	4.4
93.07062	7.8
95.04951	2.1
95.08584	4.3
97.10165	3.9
99.11780	6.7
105.07032	5.6
107.07050	2.6
107.08580	5.4
109.10163	4.4
111.11716	4.5
113.13300	7.1
117.09122	6.4
119.08594	3.8
121.10150	4.2
123.11758	1.5
125.13261	3.3
127.14816	4.9
130.08652	2.5
131.07048	3.4
131.08585	3.0
133.08611	68.6
133.10164	3.6
135.11734	3.1
137.09587	1.3
143.08606	1.5
145.10139	1.8
149.09636	1.8
155.08472	1.5
157.10101	2.3
159.11702	2.7
161.11813	2.1
171.11757	1.4
175.09686	1.6
177.11237	31.8
183.21101	1.9
193.72345	1.3
221.13783	7.9
239.14885	2.3
265.16467	2.2
268.26361	1.9
271.26260	6.2
275.19992	1.5
283.17529	2.5
301.16531	2.1
315.28903	5.2
327.20047	2.1
335.25861	5.3
353.21744	1.6
371.22647	3.3
414.67841	1.5
415.25278	11.5
431.17810	1.5
439.28271	1.6
509.39523	1.7
553.42920	1.9
561.38049	2.3
597.45703	23.2
614.48096	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	614.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01865	3.4
55.05276	1.7
55.05517	21.4
57.03441	19.5
57.07078	5.3
65.03935	1.7
67.05508	58.0
69.03424	1.9
69.06732	1.9
69.07072	26.3
70.76774	1.3
70.77122	2.9
71.04987	3.1
71.08627	1.5
79.05501	26.3
81.03424	76.7
81.07063	61.9
83.04980	5.9
83.08158	1.8
83.08627	28.8
85.06509	1.5
85.10202	1.6
89.06013	2.6
91.05484	26.1
93.06501	1.5
93.07056	21.3
95.04391	1.3
95.04973	23.0
95.08615	41.4
97.02879	2.2
97.06538	6.8
97.10156	8.9
99.08100	1.2
105.07037	17.7
107.04989	5.8
107.08607	16.4
109.06519	4.2
109.10160	18.9
109.77967	1.0
111.04469	1.6
111.08095	9.0
111.11722	1.1
115.05467	2.0
117.07011	3.1
119.04955	1.2
119.08591	19.4
121.06489	2.9
121.10159	13.0
123.08120	1.5
123.11712	8.2
125.09626	2.2
129.07007	9.1
131.08577	11.4
133.06454	1.9
133.10136	10.0
135.08052	1.3
135.11713	5.3
135.87891	1.2
137.09618	3.1
137.13261	3.2
142.07779	2.1
143.08562	2.2
145.10124	3.6
147.08057	3.1
147.11682	10.1
149.09631	4.9
149.13255	2.8
157.10130	7.4
159.11746	1.3
161.13252	2.8
163.11224	1.4
163.14841	1.9
165.12714	2.4
173.13365	1.6
175.11205	7.2
175.14856	2.0
190.74623	1.2
193.10461	1.4
193.12262	21.9
211.13208	1.6
227.12813	3.6
245.22694	2.3
249.14717	3.1
253.30746	1.1
263.23648	5.6
267.15936	100.0
268.16370	1.3
303.26859	3.0
315.51797	1.1
337.27383	90.7
338.27921	1.8
352.24118	1.4
384.23175	1.8
415.25473	1.6
437.34207	2.2
455.35193	4.2
473.36255	3.6
529.38922	76.7
530.39380	2.0
547.39935	34.1
561.41632	2.7
614.39697	2.5
614.48346	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	614.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01868	1.1
55.05510	1.6
55.44748	0.3
56.05031	3.9
57.03443	3.1
59.05006	0.5
60.04524	0.4
61.02929	3.8
67.05511	4.2
68.05006	0.7
69.03432	9.8
69.72800	2.0
70.06596	7.1
71.01353	0.6
71.04999	3.6
72.08160	1.2
73.02925	3.1
79.05480	1.0
80.20351	0.4
81.03428	3.8
81.07082	0.4
83.01338	0.4
83.04556	0.4
83.04979	2.1
84.04522	0.7
84.08147	69.0
85.02908	38.8
85.03439	0.9
86.06074	0.9
86.09688	2.0
87.04471	1.3
89.03923	4.1
91.03972	2.0
91.05477	1.1
95.04980	0.6
96.08142	0.4
97.02895	11.7
97.08935	0.5
98.09697	15.7
99.04459	2.6
99.10049	1.1
107.04970	1.5
109.02888	3.3
109.10181	1.3
110.07179	0.8
111.04462	1.4
111.10439	0.3
115.03919	1.9
117.03387	5.5
119.04959	1.2
120.08129	0.8
123.04433	0.5
125.02373	1.0
126.12798	37.7
127.03923	9.0
127.04831	0.7
129.05478	2.5
129.10258	1.6
133.04968	2.8
135.04425	10.2
136.07588	1.0
140.14349	5.8
144.13844	21.1
145.02863	9.8
145.04956	10.2
147.04417	7.5
147.06514	1.2
148.04785	0.5
158.15448	1.1
163.03908	84.5
177.05499	0.8
179.05569	1.3
186.05606	0.4
217.05042	1.1
273.10104	0.6
291.08600	6.9
304.19174	0.5
306.16974	11.8
309.09662	0.5
401.16443	0.4
450.25055	1.3
451.25452	0.5
452.22870	0.4
613.81030	2.2
614.28162	100.0
615.28259	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4824
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02349	0.6
53.03935	2.8
55.01869	1.4
55.05513	16.5
57.03440	4.8
57.07073	4.0
57.58348	0.6
65.03941	2.9
66.50317	0.6
67.05506	47.7
69.07068	16.0
71.04996	1.5
71.08627	3.6
77.03912	0.6
79.05494	26.3
81.07056	56.2
82.43322	0.6
83.04983	2.2
83.08622	10.9
85.06544	1.4
91.05485	21.5
92.18990	0.6
93.07049	33.2
95.04969	3.0
95.08611	42.4
97.06540	3.0
97.10181	5.3
98.20764	2.1
99.08094	2.4
99.68441	0.7
105.04521	1.2
105.07030	20.6
107.08592	20.2
109.06519	1.6
109.10160	19.9
111.08069	1.7
111.11753	1.5
113.09657	0.6
115.05451	1.0
117.07010	8.5
119.08583	20.8
121.10144	18.1
123.08017	1.3
123.11705	7.4
125.09654	1.4
129.06996	4.4
131.08571	18.5
133.10133	18.0
135.08002	0.7
135.11702	12.8
137.05943	0.8
137.09612	1.0
137.13226	2.3
141.06998	1.1
142.07788	1.0
143.08580	6.4
145.10121	15.9
147.11697	14.0
149.09663	0.9
149.13269	7.4
151.11192	1.5
151.14857	0.8
155.08548	1.7
157.10138	5.3
159.11694	12.7
161.09644	0.7
161.13240	8.1
163.11189	1.3
163.14813	3.7
165.12712	0.9
165.16435	0.6
169.10158	2.2
171.11696	4.6
173.13284	8.7
175.14822	5.4
177.16391	1.4
179.14323	4.5
181.10181	1.2
183.11760	1.9
185.13269	4.0
187.14821	4.7
189.16402	2.4
197.13335	1.5
199.14906	3.5
201.16399	3.3
203.17973	1.6
211.14871	1.2
213.16486	1.3
215.18004	2.1
217.19473	1.1
223.14882	0.8
225.16507	0.7
227.18059	1.1
229.19574	1.1
231.21156	1.1
241.19553	2.2
243.21062	1.6
253.19556	0.8
259.20526	7.0
261.22122	7.5
273.22156	1.3
277.21692	5.7
279.23450	0.7
283.20496	0.6
291.22952	0.7
293.75714	0.6
301.25504	0.9
313.25186	1.1
317.24884	1.5
333.24176	4.4
335.25781	9.4
337.27396	6.8
350.37576	0.6
355.29962	1.1
389.30338	0.6
401.30432	0.8
489.35599	1.5
503.37061	1.7
517.38806	1.1
521.43787	4.4
529.39105	0.9
531.39984	0.8
539.44324	2.1
543.40424	1.2
595.47205	9.1
613.48273	100.0
614.48431	2.5
622.55865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03936	2.7
55.01861	1.7
55.05513	15.6
57.03431	5.7
57.07083	3.3
61.52349	0.7
65.03933	2.4
65.65230	0.6
67.05508	52.0
69.07070	17.4
71.04992	2.0
71.08609	0.6
77.03902	0.7
79.05024	0.8
79.05493	29.5
81.07057	53.4
83.04991	1.6
83.08625	10.1
84.03973	0.5
85.06538	1.5
91.04906	1.0
91.05480	21.5
93.07046	32.8
95.04984	2.2
95.08608	47.0
97.06538	3.1
97.10162	3.8
105.04531	1.0
105.07033	24.9
107.08596	23.5
109.06514	0.9
109.10159	23.6
111.08089	2.0
111.11684	0.6
115.05445	1.0
117.07024	9.9
119.08582	23.8
121.10146	19.9
123.08104	1.1
123.11698	9.5
125.09656	1.2
128.06174	0.9
129.07028	4.4
131.08571	18.1
133.10133	21.5
135.11696	12.6
137.09656	0.9
137.13290	2.8
139.11205	1.2
141.07014	1.5
143.08566	6.7
145.10130	16.7
147.10526	1.0
147.11685	15.9
147.12798	0.9
149.09636	1.1
149.13266	9.3
151.14832	1.4
155.08556	1.7
157.10150	5.3
159.11694	13.4
161.13266	11.4
163.14810	4.0
165.12843	0.6
165.16379	0.7
169.10173	2.0
171.11659	6.1
173.13258	12.4
175.14789	5.1
177.16406	2.3
183.11690	2.5
185.13284	5.8
187.14799	7.7
189.12769	0.7
189.16399	3.2
191.14363	0.7
191.17952	0.9
195.11630	1.1
197.13284	1.9
199.14891	3.4
201.16341	4.1
203.17976	1.8
211.14954	1.7
213.16438	2.6
215.17987	1.8
217.15897	0.8
217.19594	1.9
219.17412	0.8
225.16467	1.0
227.18088	1.4
229.19543	1.5
231.21152	1.4
233.22786	0.8
239.17932	1.2
241.19675	3.2
243.21198	1.9
245.18855	1.1
245.22757	1.3
247.20732	1.0
257.19089	0.8
259.20566	7.5
261.22134	9.5
263.23773	1.2
273.22192	1.1
277.21750	1.0
279.23340	1.0
285.22095	1.5
287.23679	1.6
289.25443	0.9
299.23651	1.2
301.25235	0.7
303.23209	1.1
313.25256	0.9
315.23416	0.9
315.26953	1.3
317.24829	1.8
319.22864	0.6
323.25946	1.2
325.25146	1.0
329.12689	0.7
333.24255	3.8
335.25778	14.1
337.27310	8.2
341.28574	1.3
353.28073	0.7
355.30051	1.6
369.31406	0.8
371.29736	0.9
393.31229	0.8
475.34482	0.9
489.35657	1.2
491.37598	0.7
503.37375	1.6
505.39050	0.8
517.38959	1.1
521.43658	4.7
529.38641	0.6
539.44739	2.9
543.40417	2.1
557.41949	0.7
577.45959	1.1
595.47168	11.9
613.48248	100.0
614.48230	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.01869	4.5
55.05515	23.3
57.03424	6.4
57.07078	17.7
59.04998	25.0
65.03940	4.3
67.05508	37.0
69.03424	12.3
69.07059	15.6
71.04980	11.2
71.52425	6.3
79.05496	34.4
81.03381	8.8
81.07059	49.2
83.04993	19.7
83.08590	9.2
83.78893	3.7
84.51271	3.3
85.06540	10.3
91.05483	51.3
93.07047	82.2
94.07317	3.4
95.04972	45.7
95.08613	65.2
97.02946	3.6
97.06544	25.4
98.09693	20.9
103.05473	4.0
105.04523	6.9
105.07034	90.5
107.04928	9.0
107.08595	52.0
109.06506	23.3
109.10181	20.9
111.08083	10.7
115.05484	7.0
117.07021	32.9
119.04939	4.9
119.08591	71.1
121.06470	12.8
121.10145	45.7
123.00948	3.4
123.08070	35.0
123.11662	7.2
125.06018	36.4
125.09577	4.4
128.06226	9.2
129.06996	9.0
130.07785	12.9
131.08588	21.7
133.06523	12.3
133.10159	37.6
135.08058	29.5
135.11711	20.6
137.05890	3.9
137.09613	9.9
141.06996	10.2
142.07776	12.6
143.08598	26.4
144.09331	5.2
145.06482	4.8
145.10118	71.1
146.07329	3.7
147.04393	12.3
147.08023	12.6
147.11673	10.5
149.09622	16.9
151.07564	38.8
151.11223	5.0
155.08565	10.3
156.09299	9.3
157.10124	30.6
159.08049	11.5
159.11703	19.5
161.09619	13.0
161.13275	8.3
163.11189	70.3
165.06975	4.0
165.09129	18.9
167.08534	6.8
167.10658	12.7
169.10095	18.6
170.10866	6.4
171.11682	19.0
172.08865	4.7
173.09677	11.0
173.13284	17.2
175.11183	12.0
175.14780	5.2
177.09120	4.5
181.10130	4.5
181.10455	5.5
181.12239	73.1
182.10884	5.2
183.11760	17.8
185.13225	8.0
187.11234	11.2
187.14832	6.3
189.12782	10.9
191.14409	8.4
192.09494	3.9
193.10182	9.2
193.12093	5.6
194.10852	4.8
195.11687	15.9
196.12450	7.6
197.13196	18.6
199.11169	8.1
199.14793	7.6
201.12857	5.0
203.06079	3.6
203.14284	11.4
206.10745	3.4
207.11656	13.9
207.13788	13.3
209.13264	12.6
209.15244	6.9
211.14827	9.6
213.16362	6.3
215.14281	11.7
221.11632	5.6
221.13426	7.0
221.15372	46.3
223.11203	4.4
223.14690	6.3
225.12932	4.4
229.15930	4.5
233.13335	6.8
233.15433	7.4
235.14879	4.6
239.17928	13.3
241.15787	3.9
243.17497	6.3
255.17436	5.1
271.20602	48.4
277.15814	4.0
281.19019	4.2
325.21722	6.1
343.19324	5.3
343.22702	100.0
360.73032	3.6
373.25427	4.5
389.65411	3.7
563.38586	8.6
576.88495	4.1
581.39746	32.4
595.41425	11.2
613.30353	16.0
613.41840	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	613.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.0
55.01872	3.8
55.05512	5.2
56.05016	1.7
56.68274	0.6
57.03447	3.8
57.07062	1.4
59.04993	1.6
60.04493	0.9
61.02929	7.8
65.03938	1.3
67.05510	11.5
68.04983	0.9
69.03439	10.5
69.07079	8.2
69.51408	1.3
69.51812	3.9
70.06601	13.4
71.05007	6.5
72.08144	1.8
73.02892	2.3
77.03865	0.8
79.05498	8.6
81.03429	14.4
81.07064	17.1
83.04950	3.4
83.08621	1.5
84.04483	2.4
84.07704	0.8
84.08150	7.1
85.02914	16.5
85.06561	5.5
86.03203	1.1
86.06051	1.4
86.09709	5.0
87.04441	1.0
91.05486	11.5
92.05780	1.4
93.07054	21.2
94.06556	0.8
95.04993	5.3
95.08619	17.6
96.04482	0.9
97.02908	7.7
97.06538	8.9
97.10154	1.0
98.09705	34.4
98.20747	0.9
99.04463	8.7
99.10033	7.8
102.07983	0.7
103.03975	5.5
103.05476	1.9
105.07039	21.8
107.04937	3.0
107.08607	22.0
109.02263	1.1
109.02895	14.6
109.06524	9.7
109.10166	5.9
110.07156	0.8
110.09686	1.2
111.04443	1.3
111.08110	3.8
113.05958	2.0
115.05444	1.0
115.07543	2.1
117.06979	3.0
119.04951	6.1
119.07836	1.0
119.08598	16.4
120.05241	1.9
120.08038	2.4
121.02847	0.9
121.06514	10.6
121.10156	21.9
123.04443	4.5
123.07334	1.1
123.08080	11.0
123.11736	4.2
125.09595	2.0
127.03927	19.1
127.07562	1.1
128.06184	1.5
129.10207	2.0
130.07834	1.1
131.08571	4.6
133.06506	4.4
133.10120	4.0
135.08066	6.3
135.11720	8.0
136.06186	0.9
136.07549	1.5
137.05948	1.4
137.09612	7.8
137.13264	1.2
139.11172	1.3
140.14355	12.4
140.47699	0.7
141.14706	4.1
143.08545	2.9
145.04990	6.6
145.06128	0.9
145.06525	1.0
145.10130	13.2
147.04422	23.2
147.08047	3.8
147.10674	1.1
147.11707	13.5
148.04749	9.1
149.05965	2.3
149.09633	36.1
149.13252	1.6
150.09132	1.4
151.07561	4.1
151.11198	4.5
151.12245	0.9
153.12761	0.9
155.08522	1.0
156.09323	2.1
157.10033	1.3
158.15404	4.4
159.07979	1.9
159.11710	3.1
159.15714	1.4
161.06003	0.9
161.09663	3.9
161.13264	7.7
163.06004	2.1
163.11198	27.7
163.14870	1.2
165.09081	2.8
165.12787	9.6
167.10684	7.7
169.08640	5.6
169.09860	1.2
171.08047	0.8
171.11662	2.9
173.09657	4.1
173.13266	1.2
174.10394	3.2
177.12784	1.9
181.12234	5.6
185.11797	1.7
187.06013	1.5
187.14970	1.0
189.12747	14.3
189.16429	1.7
191.10674	16.2
191.14398	0.8
201.16531	1.4
207.13818	44.3
207.17351	2.3
209.11763	11.1
225.14877	100.0
227.12791	21.0
245.06429	1.3
269.13867	2.8
271.24106	0.9
287.05597	2.5
289.05350	1.3
289.14520	0.9
289.25208	2.0
293.08170	1.8
299.12781	1.0
305.19580	1.3
317.14182	1.3
335.15018	2.3
347.25760	1.8
353.16016	7.2
365.26599	1.7
371.17093	6.0
569.32898	2.4
595.31519	2.0
612.80664	5.9
613.31085	46.1
633.60687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	1.2
55.01867	1.3
55.05515	2.2
56.05011	0.5
57.03399	1.1
57.07042	0.5
59.04976	0.4
61.02924	4.8
65.03913	0.7
67.05501	2.6
68.05007	0.3
69.03432	5.0
69.07073	4.3
70.06594	4.8
71.04996	5.4
71.06905	0.4
71.51686	0.3
72.08111	0.9
73.02903	0.6
77.03874	0.3
79.05497	4.5
79.08073	0.3
81.03417	5.4
81.07059	7.6
83.04989	2.0
83.08583	0.7
84.04492	0.6
84.08150	3.0
85.02446	0.3
85.02906	4.8
85.06515	1.1
85.08438	0.3
86.06059	0.5
86.09718	1.8
87.04425	0.5
91.03939	0.4
91.05484	5.1
93.07051	10.8
95.04976	2.3
95.08607	3.7
97.02914	2.3
97.06538	3.0
98.03280	0.3
98.09693	10.3
99.04459	2.7
99.08038	0.3
99.10019	1.9
101.05981	0.4
103.03888	0.9
103.05408	0.5
105.04515	0.3
105.07034	11.5
107.04926	1.1
107.07906	0.6
107.08594	10.6
109.02254	0.3
109.02885	3.9
109.05817	0.4
109.06511	5.5
109.10142	1.8
110.07133	0.9
111.04373	0.4
111.08102	2.1
113.05989	0.6
115.07568	3.1
117.07042	1.8
119.04928	2.0
119.08581	7.8
120.05243	0.8
120.08073	1.2
121.02870	0.3
121.05693	0.3
121.06508	4.2
121.10147	9.9
123.04440	0.3
123.08070	3.5
123.11736	1.5
127.03917	5.7
127.07549	0.4
128.06201	0.3
129.06969	0.6
129.10191	1.1
130.07721	0.5
131.04840	0.4
131.08545	1.6
133.06512	2.0
133.10121	2.8
135.08040	2.6
135.11691	3.2
136.07512	0.5
137.05966	0.3
137.08682	0.4
137.09622	5.3
137.13217	0.5
139.07562	0.4
139.11171	0.6
140.14349	4.0
141.14658	1.0
142.07767	0.3
143.08533	0.6
145.04926	1.0
145.06094	0.3
145.09087	0.3
145.10136	6.0
147.03241	0.5
147.04405	7.8
147.08089	1.7
147.11697	10.4
148.04742	3.0
149.05974	0.7
149.09625	7.9
149.13240	0.6
151.07564	2.1
151.11183	5.2
155.08464	0.4
156.09309	0.8
158.15445	1.5
159.08025	0.5
159.11687	1.0
159.15755	0.7
160.08929	0.3
161.09602	1.4
161.13251	3.2
161.38539	0.3
163.05954	0.3
163.11185	13.7
165.11417	0.5
165.12752	7.2
167.10677	3.3
169.08646	2.6
169.79414	0.3
171.11707	1.6
172.27361	0.3
173.09610	1.1
174.09096	0.3
174.10365	1.6
177.12727	0.8
181.12233	2.6
185.11810	0.7
189.12747	5.6
191.10666	7.6
191.14262	0.4
194.11826	0.3
204.06531	0.4
205.06798	0.3
207.13820	5.6
209.11734	5.5
223.13315	0.3
225.14856	100.0
226.15199	0.4
227.12779	8.4
245.13972	0.3
269.13959	0.6
271.13165	0.3
287.05701	1.3
304.19235	0.5
305.19360	0.5
317.13864	0.4
335.14981	0.8
353.15900	2.4
371.16956	2.4
450.74942	0.4
595.30780	0.7
612.80084	1.7
613.30750	13.3
614.29584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
53.03946	2.9
55.01867	3.7
55.05508	5.5
55.49647	0.4
57.03436	1.7
57.07068	1.0
57.83457	0.4
57.90818	0.5
59.04706	1.0
59.05003	15.1
61.02909	0.6
62.13713	0.4
65.03944	1.5
67.05503	8.2
69.03083	0.9
69.03432	12.5
69.07067	10.3
70.06590	1.5
71.04995	3.9
71.51437	0.5
71.51842	0.5
73.02900	0.6
77.03944	0.5
79.05496	14.8
81.03422	15.6
81.07064	24.3
83.04985	7.4
83.08619	2.5
84.08144	1.1
85.02914	3.4
85.06543	4.4
86.09713	1.1
87.04472	6.4
91.05480	13.9
93.07047	51.8
95.04976	5.9
95.08610	14.7
97.02890	2.5
97.06532	7.2
97.10178	1.4
98.09705	3.5
98.72389	0.4
99.04465	6.8
99.10043	1.1
101.06026	11.7
101.06687	0.7
103.05487	0.9
105.04546	0.8
105.07035	37.4
107.04955	2.0
107.08598	72.3
108.08117	0.8
109.02127	1.0
109.02879	16.3
109.06523	10.5
109.10159	4.1
111.04435	1.0
111.08089	6.2
113.05998	3.2
115.07570	1.2
117.07035	4.1
119.04951	1.6
119.06112	0.8
119.08588	20.3
120.08096	0.6
121.06508	10.3
121.10150	28.6
123.04489	0.7
123.07200	0.8
123.08076	11.7
123.11705	1.6
125.06008	0.9
125.09644	1.0
127.02982	0.9
127.03924	16.9
127.07561	1.7
128.06212	0.8
129.07022	2.0
130.07813	0.9
131.08591	3.6
133.06502	3.6
133.07487	0.7
133.10133	7.5
135.08063	5.7
135.11694	8.4
137.05971	1.6
137.09656	2.2
139.07555	1.8
139.11192	4.8
140.14322	0.7
141.06970	0.6
141.09079	1.8
143.08559	2.9
145.04924	0.8
145.06490	0.7
145.10129	19.8
147.04420	3.4
147.08044	5.2
147.11688	13.0
147.12814	0.9
148.04692	0.9
149.06004	1.1
149.09619	9.1
151.07602	4.6
151.11186	84.3
155.08501	0.5
156.09410	3.6
159.08081	0.9
159.11688	4.2
160.08833	0.5
161.09618	4.2
161.13258	15.2
163.11185	43.4
165.09123	1.3
165.12772	1.6
167.10661	10.6
169.08614	10.8
171.11708	4.9
173.09615	3.6
174.10394	1.9
174.66983	0.5
177.12738	5.2
179.10701	0.6
179.14340	2.9
181.12241	8.8
185.11732	2.8
189.09146	0.5
189.12746	16.3
189.14456	0.9
190.04918	0.5
191.10677	26.2
207.13806	100.0
208.14169	0.9
209.11736	21.7
225.14861	92.4
227.12785	38.4
245.13887	0.8
251.12790	0.6
253.12238	1.1
269.13898	5.5
271.13284	1.8
289.14352	2.6
293.13940	0.4
299.12720	1.9
317.13721	2.1
335.14978	3.1
353.15939	16.8
371.17038	10.7
389.18143	1.0
612.79791	0.5
613.30914	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	613.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
54.08490	0.4
55.01871	1.9
55.05516	2.8
57.03429	1.7
57.07060	0.5
59.04989	1.8
61.02924	5.0
65.03934	0.7
65.23698	0.4
67.05236	0.4
67.05508	4.7
68.05017	0.5
69.03438	6.4
69.07071	8.8
70.06599	5.2
71.04996	9.6
71.06912	0.5
71.51400	0.5
71.51775	0.7
72.08135	1.3
73.02924	0.8
73.06548	0.8
79.05499	5.4
81.03415	5.5
81.06592	0.7
81.07056	11.5
83.04996	2.8
83.08627	1.1
84.04494	1.1
84.08150	3.7
85.02912	6.3
85.04053	0.4
85.06541	1.6
86.03212	0.4
86.06062	0.6
86.09702	2.7
87.04464	0.9
91.03947	0.8
91.05478	6.1
93.07046	15.3
95.04975	2.3
95.08606	5.3
97.02886	2.3
97.06535	5.6
97.10162	0.6
98.09112	0.8
98.09698	11.9
99.04464	2.8
99.10015	2.5
101.05997	0.6
103.03962	0.7
103.05465	1.1
105.07035	13.6
107.04958	1.9
107.08601	13.5
109.02897	3.6
109.06523	8.8
109.10148	4.3
110.07180	0.8
111.08097	2.7
113.05991	0.8
115.07578	6.8
117.07021	1.5
119.04955	2.7
119.08582	11.8
120.08109	1.6
121.06503	5.4
121.10150	12.2
122.05988	0.6
123.04440	0.6
123.08074	4.8
123.11750	2.2
125.09656	0.5
126.78031	0.4
127.03915	5.6
127.07542	0.7
128.06192	0.7
128.20110	0.4
129.07007	0.8
129.10231	1.1
130.06607	0.5
130.07748	0.7
131.08536	2.5
133.06482	2.0
133.10126	6.4
135.08038	3.3
135.11700	3.8
136.06223	0.4
136.07562	0.7
137.05968	0.8
137.09618	11.4
137.13229	0.5
138.85809	0.4
139.07539	0.8
139.11241	0.8
140.14342	4.2
141.09116	1.6
141.14664	1.4
143.08546	1.5
145.04959	1.7
145.06554	0.5
145.10139	7.1
147.04424	9.1
147.08086	3.3
147.11697	11.7
148.04735	2.1
149.09624	13.4
149.13168	0.6
150.09123	0.5
151.07600	3.3
151.11186	12.3
156.09352	2.0
158.15410	1.5
159.08060	1.2
159.11694	2.4
159.15718	0.9
160.08888	0.5
161.05986	0.4
161.09634	2.5
161.10820	0.4
161.13261	8.0
163.06068	0.5
163.07457	0.4
163.11180	14.1
165.12762	2.9
167.10681	3.6
169.08609	2.9
171.11649	3.9
173.09586	1.1
174.09132	0.5
174.10426	4.6
175.11092	0.5
175.56442	0.4
176.10588	0.4
177.12779	1.6
179.14284	0.7
181.12265	1.8
185.06081	0.5
185.11742	0.9
189.12743	13.4
191.10690	6.5
191.14331	0.5
207.13805	10.4
209.11719	4.2
220.85303	0.4
225.14861	100.0
227.12801	7.6
269.13794	1.3
287.05521	1.5
287.13763	0.4
290.13885	0.5
304.18787	0.5
335.14883	0.7
353.15906	2.9
371.16971	2.1
441.56760	0.4
577.30219	0.5
612.80200	1.5
613.30872	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
53.38716	1.9
55.01863	4.8
55.05513	5.6
57.03442	5.2
59.04997	11.6
61.02935	4.4
65.62888	2.3
67.05503	12.0
68.05032	3.0
69.03429	13.0
69.07061	12.1
70.06596	30.0
71.04991	6.0
72.08151	6.3
79.05498	15.6
81.03416	15.3
81.07062	21.2
82.06644	2.4
83.04985	6.8
83.08617	5.6
83.95635	2.1
84.04515	3.8
84.08151	15.3
85.02924	20.2
86.06100	3.2
86.09707	9.4
87.04464	4.5
91.03946	2.9
91.05470	14.9
93.07053	30.9
95.04999	6.5
95.08607	12.5
97.02908	9.9
97.06538	8.9
98.09698	35.6
99.04469	7.0
99.10068	5.5
101.06036	6.5
103.03942	3.1
103.05502	4.3
105.07039	32.9
107.04975	4.4
107.08606	51.0
109.02883	11.3
109.06536	7.7
109.10188	9.8
110.07191	6.1
111.04453	5.2
111.08091	5.2
113.06081	2.6
117.07013	3.8
119.04978	6.2
119.08591	13.6
120.05271	2.5
120.08123	5.5
121.06549	11.6
121.10133	18.4
122.09695	3.5
123.08090	7.6
123.11736	2.6
125.09652	3.5
127.03941	14.7
129.10281	6.1
131.08626	4.6
133.06537	5.9
133.10179	6.9
135.08080	5.9
135.11691	5.9
136.07637	6.3
137.05952	3.7
139.11128	3.0
140.14386	9.7
141.14758	3.3
143.08601	2.3
145.04991	5.1
145.10159	14.0
147.04410	33.1
147.08028	4.9
147.11726	8.3
148.04691	11.5
149.09634	7.3
151.07593	4.6
151.11194	49.8
156.09317	3.6
158.15402	4.8
159.11754	3.6
161.09573	2.9
161.13307	10.3
163.11183	25.7
165.09193	2.3
167.10757	6.1
169.08635	7.1
170.10857	2.5
171.11694	4.5
177.12854	3.7
181.12305	4.1
185.05954	3.1
189.12830	9.7
191.10651	14.5
193.12407	2.3
207.13788	54.4
209.11749	15.2
225.14876	54.0
225.16933	3.9
226.87538	2.5
227.12755	24.0
245.06348	3.0
287.05609	6.3
289.05457	6.7
317.14111	3.5
335.15109	3.4
347.25366	7.6
353.16080	9.3
365.26718	6.9
371.17105	5.2
435.54727	2.3
469.52017	2.8
569.32996	10.3
612.80164	3.5
613.31403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65235	0.3
53.03939	1.1
55.01860	1.4
55.05502	0.5
56.05014	0.4
57.03437	0.5
61.02916	0.4
64.81329	0.3
65.03938	0.5
67.05495	1.0
68.05034	0.4
69.03426	0.9
69.07069	0.7
69.96124	1.1
70.06602	2.4
71.04997	0.3
72.08170	0.4
73.02930	0.4
76.76424	0.4
79.05498	5.4
81.03407	0.9
81.07053	0.9
84.04497	0.3
84.08137	1.2
85.02917	1.6
86.06088	0.3
86.09710	1.0
91.05477	2.6
93.07047	1.1
95.04990	1.6
95.08651	0.7
97.02914	0.9
97.06567	0.4
98.09695	5.2
99.04495	0.5
99.10041	0.6
103.05470	3.9
105.07036	36.7
107.04952	4.9
107.08609	0.7
108.08067	0.3
109.02904	0.3
109.06522	0.3
109.10194	0.5
115.05473	2.1
117.07021	0.9
119.04947	1.4
119.08570	0.6
120.05268	0.4
120.08099	0.5
121.02834	0.3
121.06512	4.7
121.10147	0.7
123.04418	1.1
123.08112	0.4
127.03912	0.8
128.06259	0.7
129.06992	0.5
129.10258	0.6
131.04900	1.5
131.08586	0.8
132.05814	0.4
133.06500	100.0
135.04411	1.0
135.08067	1.3
136.07562	0.4
137.06013	1.1
140.14352	1.8
141.06956	0.6
141.14679	0.4
143.08647	0.4
145.04997	0.4
145.06502	2.5
145.10127	0.9
146.06020	0.4
147.04411	6.2
147.11699	0.3
148.04803	1.2
149.05986	3.3
149.09616	0.3
150.06773	0.6
150.09116	0.8
151.07465	0.4
157.06557	0.5
158.15401	0.6
159.04446	0.5
159.08087	0.9
161.06058	1.7
165.05521	0.6
167.10660	0.4
171.08023	2.0
173.06024	1.6
173.09608	1.9
175.07573	0.5
177.05510	0.8
185.05984	0.7
187.07562	0.5
191.07047	2.4
209.11433	0.3
233.15506	0.3
236.08597	0.3
255.10120	1.7
259.09744	0.4
262.18219	0.3
265.08505	0.4
267.10202	0.4
269.11807	0.4
277.08615	0.4
279.07602	0.4
279.10138	2.0
281.11743	1.5
293.11642	0.6
297.11133	0.5
303.10104	0.4
305.11731	0.5
309.11151	0.8
416.95596	0.3
427.15375	0.5
445.16452	0.4
464.65341	0.3
527.31885	0.4
569.33209	0.5
612.80182	0.8
613.30933	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	613.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27901	0.6
52.76555	0.6
55.01869	2.5
55.05500	0.8
56.05029	0.6
57.03439	1.6
61.02929	0.9
65.03938	1.9
67.05492	0.9
68.99799	5.5
69.03437	1.7
70.06593	4.6
70.25050	2.7
71.01342	0.8
72.08167	2.3
72.90916	0.6
73.29963	0.6
74.06082	0.8
75.48885	0.7
81.03409	1.5
84.08141	2.8
85.02900	7.2
86.09710	2.9
91.05495	1.2
93.03410	1.8
95.04988	1.4
97.02887	3.3
98.09695	4.9
105.07040	1.1
107.04979	2.7
109.02878	3.0
111.04462	1.6
111.20604	0.7
119.04951	3.0
121.02871	100.0
123.04437	2.2
129.10271	1.3
131.04897	1.3
133.06456	1.5
135.04411	3.6
135.71901	0.7
136.07626	1.4
137.02344	1.0
139.03937	2.4
140.14336	2.1
140.45145	0.7
145.06581	0.9
147.04413	3.5
149.02399	1.1
151.03912	3.3
153.01802	1.6
154.20764	0.7
155.04839	0.7
157.06425	1.0
159.04422	1.1
161.05968	2.2
163.03905	20.0
165.01817	4.9
171.04430	1.4
173.02338	1.6
173.05983	1.6
175.00255	0.7
175.03961	4.0
177.01849	3.9
177.05463	2.8
179.03322	1.1
181.04878	3.2
187.03894	3.5
189.01820	3.5
189.05527	2.0
191.03369	4.4
193.04958	1.8
194.00751	0.6
195.02907	5.3
196.66161	0.7
197.05870	0.8
199.03864	0.7
201.01913	1.9
201.05486	2.8
203.03436	4.0
205.04967	5.6
207.02930	8.9
213.05444	1.8
215.03413	4.2
217.04936	6.4
219.02896	9.0
219.06329	0.9
221.04425	1.5
223.06068	2.1
225.03979	2.3
227.03357	0.9
229.04892	4.2
231.02919	10.0
231.06371	1.4
233.04347	3.3
235.06012	1.7
237.03954	2.3
241.04819	3.4
243.02873	5.7
243.06526	1.5
245.04466	1.2
247.06038	4.0
249.03969	2.1
253.04933	1.2
255.02943	2.0
255.06538	1.4
257.04489	3.0
259.06033	6.4
261.03931	12.1
265.07074	2.4
269.04480	1.0
271.06107	5.1
273.03961	7.9
277.07147	1.7
279.05017	1.2
283.06055	2.6
285.03940	6.3
287.05389	1.0
291.04941	4.4
293.11420	1.3
294.05017	0.8
295.05780	5.5
297.03754	1.6
299.05481	1.2
301.07251	3.2
303.05035	4.4
307.05945	3.9
308.06689	0.9
309.03821	0.9
309.07510	0.9
313.06805	3.4
315.05170	1.8
319.08447	1.3
321.06625	2.8
325.07126	6.4
327.04901	5.6
331.08182	1.3
335.08957	0.8
337.06958	6.0
339.07361	10.6
343.07956	1.4
345.05951	3.5
349.06812	3.5
351.08530	0.8
355.08145	5.0
361.06577	1.1
363.07043	6.5
367.08261	1.7
369.05933	1.0
375.07278	3.1
379.07913	7.3
387.07132	0.8
391.08005	4.6
393.08060	6.1
397.09464	2.0
403.08182	1.7
405.08267	5.5
409.09186	6.8
415.10770	0.9
421.09213	5.1
421.14294	0.7
423.09384	7.2
427.10226	4.6
433.09177	3.8
439.10104	4.7
441.10312	10.0
445.09882	3.6
457.11368	15.3
459.11377	1.6
463.10190	5.2
465.72812	0.7
475.12241	6.0
481.11307	5.9
493.11636	3.1
499.12268	3.3
505.11899	1.8
511.12308	9.6
523.12390	4.9
533.22620	0.8
541.13434	4.7
559.14502	4.3
577.15540	2.8
595.16614	2.5
612.80280	2.5
613.31250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
55.01861	3.5
55.05514	26.0
57.03438	16.7
57.07072	2.7
57.32700	1.6
65.03927	3.6
67.05507	71.6
69.03412	3.5
69.07068	28.7
69.25870	14.6
71.05006	3.0
71.08639	1.9
79.05495	53.7
80.05825	5.1
81.02933	2.6
81.03419	64.9
81.07059	77.5
82.07381	4.8
83.04974	4.2
83.08627	21.4
85.06528	3.4
91.05481	45.6
91.06024	3.2
92.05775	2.6
93.07049	50.1
94.07381	5.6
94.45609	1.7
95.04986	21.0
95.08607	53.6
96.08942	6.4
97.02874	3.0
97.06532	4.1
97.10185	6.0
98.09687	4.5
98.21548	3.3
99.08110	2.6
105.07031	45.2
106.07378	5.3
106.63116	1.8
107.04953	5.3
107.08598	27.7
108.08963	2.2
109.06516	3.2
109.10155	22.1
110.08647	1.9
111.08091	5.8
117.07020	12.9
118.07417	1.7
119.06432	2.2
119.08582	37.7
120.08927	3.1
121.06538	1.8
121.10149	25.7
122.10480	5.2
123.08085	3.3
123.11703	9.6
125.09660	4.0
129.07008	14.8
130.07370	2.7
131.08571	28.6
132.03297	1.8
132.08925	3.7
133.06560	2.9
133.10123	25.9
134.10503	5.3
135.08078	2.2
135.11696	17.0
137.13300	3.7
142.07802	4.1
143.08527	8.6
144.08936	3.4
145.10124	22.8
146.10484	6.4
147.04391	4.9
147.08037	3.5
147.11697	17.7
148.12030	3.7
149.09622	5.1
149.13260	6.4
150.13718	2.1
155.08548	4.5
157.10136	14.6
158.10487	2.6
159.11690	12.5
160.12076	4.6
161.13287	7.9
162.13618	3.3
163.11160	2.6
163.14804	4.3
169.10127	4.1
171.11633	10.8
172.12086	3.8
173.13301	11.4
174.13651	5.2
175.11250	5.9
175.14867	7.5
183.11679	5.5
183.38646	1.7
184.40428	1.8
185.13190	5.2
186.13640	3.0
187.14854	6.0
189.16454	2.7
193.12260	15.2
195.49927	2.0
195.73804	2.0
197.13258	2.4
198.13626	3.0
199.14816	4.5
200.15184	2.5
209.13277	2.9
211.13245	2.7
215.18150	2.4
223.14937	1.9
225.16432	2.1
227.12852	2.3
227.18059	2.3
241.19566	4.9
242.19966	2.7
243.21089	5.8
249.06027	2.0
258.19440	2.2
259.20575	9.5
260.20990	5.8
261.22092	14.8
267.15918	76.9
301.25403	2.7
317.24881	3.1
319.95535	2.0
333.24432	4.8
334.24548	4.9
335.25821	67.7
336.26251	7.0
337.27472	3.0
435.32922	3.0
443.56940	2.1
453.33905	4.8
520.42889	3.3
527.37329	41.5
539.12354	1.9
542.38757	3.1
545.38483	22.1
590.27954	1.9
594.45966	8.2
612.30688	3.7
612.47046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
53.99133	1.6
55.01873	3.0
55.05510	19.4
57.02199	1.7
57.03441	16.5
57.07065	2.5
63.62051	1.7
65.03932	2.4
67.05507	60.2
69.03416	3.0
69.07065	16.4
70.06577	3.1
70.81512	3.2
70.81854	2.5
71.04986	3.9
71.08647	2.2
72.16982	1.4
79.05493	45.9
80.05833	2.1
81.03420	82.3
81.07057	54.4
82.07392	1.9
83.04987	8.5
83.08226	1.6
83.08629	19.2
85.06535	2.8
91.05478	31.4
93.06483	2.9
93.07043	44.6
94.07378	3.2
95.04975	27.9
95.08609	43.9
97.02898	2.3
97.06538	4.7
97.10169	4.0
98.09690	4.4
99.08096	2.6
105.06328	1.7
105.07028	29.3
106.07360	2.0
107.04951	6.9
107.08595	26.4
109.06519	5.8
109.10164	19.0
111.08095	6.4
115.05422	2.3
117.07015	6.6
117.97417	1.6
119.04933	3.0
119.08588	21.7
119.67198	1.5
121.06487	4.5
121.10149	20.2
123.08044	4.1
123.11700	5.8
125.09636	5.2
129.07002	12.8
131.08566	21.6
133.06531	2.0
133.10147	15.2
135.08052	2.5
135.11671	12.0
137.09631	3.0
137.13289	1.6
140.14345	2.2
142.07758	3.0
145.10112	7.7
147.04428	6.2
147.08058	2.0
147.11711	14.0
149.09621	5.3
149.13206	4.1
157.10110	12.1
159.11731	7.8
161.13272	5.8
163.11191	2.7
163.14847	3.1
165.12753	2.3
171.11652	3.1
173.13269	5.6
175.11168	7.2
175.14804	3.6
179.14337	3.6
185.13289	2.0
186.52588	1.5
187.14825	3.6
189.11279	4.1
193.12234	20.0
201.16299	2.0
227.12857	5.1
243.21167	4.3
261.22119	15.0
267.15924	100.0
277.21417	1.9
278.21838	1.6
301.25375	3.0
303.23135	2.1
317.24692	2.5
333.24847	1.7
335.25800	75.2
336.26184	2.4
376.66928	1.5
435.32724	4.3
453.33575	4.9
464.09192	1.6
471.34744	3.5
509.36420	2.7
517.90491	1.7
527.37317	45.7
545.38361	23.6
594.45764	2.6
612.29663	5.2
612.47174	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01857	0.4
55.05500	0.5
57.03427	0.7
58.06574	0.3
60.52100	0.2
61.02921	0.6
63.59175	0.2
65.03937	0.8
65.22440	0.1
67.05503	2.2
67.82800	0.2
68.05018	0.5
69.03430	2.0
69.07080	0.3
69.39866	1.4
69.40208	0.3
70.06595	9.5
71.04975	0.6
73.02896	0.5
81.03419	0.8
81.07046	0.3
82.06584	0.2
83.04978	0.8
83.07364	0.3
83.08595	0.2
84.08164	1.0
85.02909	8.6
87.04475	0.4
90.69721	0.2
91.03932	0.4
91.05483	5.3
96.08150	0.6
97.02894	2.6
98.09695	100.0
98.21528	0.2
99.04455	0.4
107.04953	0.5
109.02891	0.9
109.10160	0.5
111.04462	0.5
111.10469	0.7
112.11235	0.7
119.04944	13.4
125.02351	0.3
127.03926	2.1
129.05487	0.6
133.04942	0.6
140.14342	31.8
145.04979	1.7
147.04413	81.4
158.15405	6.3
165.05579	0.2
201.05446	0.6
217.04988	0.2
275.09106	2.3
304.19080	6.4
612.30133	99.8
619.84845	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24687	0.2
53.03941	0.5
55.01873	0.3
55.05509	0.5
55.25889	0.2
57.03447	1.1
58.06602	0.2
61.02925	1.4
62.17805	0.2
63.81411	0.2
65.03932	1.5
67.05506	1.4
67.07780	0.2
67.72841	0.2
68.05041	0.2
69.03432	3.2
69.40042	1.2
70.06598	4.7
71.05005	1.3
72.60672	0.2
73.02907	0.7
81.03430	1.1
81.07067	0.3
83.04985	1.1
83.07407	0.2
84.08146	0.4
85.02908	11.0
87.04465	0.6
91.03932	0.6
91.05483	9.4
96.08152	0.3
97.02904	3.7
97.08929	0.2
98.09696	52.1
99.04446	0.8
101.17139	0.2
101.84432	0.2
107.04947	0.6
109.02877	1.1
109.10171	0.6
111.04440	0.6
111.10488	0.3
112.09663	0.2
112.11237	0.3
115.03934	0.4
118.04082	0.2
119.04948	24.4
125.02375	0.2
127.03918	1.8
127.77959	0.2
129.05534	0.7
133.04968	0.7
140.14346	19.0
145.04951	1.7
147.04413	100.0
158.15410	25.4
172.69290	0.2
179.05571	0.3
201.05534	0.6
217.05006	0.2
275.09119	2.0
298.07751	0.2
304.19104	3.2
332.47900	0.2
335.00812	0.2
450.24918	0.4
610.40417	0.2
612.30151	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01878	0.3
55.05505	0.4
57.03447	1.1
58.06589	0.2
61.02925	0.9
65.03940	1.3
67.05517	1.1
69.03435	3.3
69.16496	0.2
69.16685	0.9
69.17101	1.2
70.06600	3.3
71.04991	0.9
73.02909	0.5
77.52748	0.2
81.03441	1.3
83.04980	0.9
83.07369	0.3
84.08148	0.6
85.02913	10.4
87.04482	0.6
91.03970	0.4
91.05489	8.7
96.08134	0.3
97.02909	3.5
98.09704	39.2
99.04449	0.7
107.04980	0.7
109.02876	1.0
109.10162	0.4
111.04433	0.5
111.10478	0.5
112.11234	0.4
115.03957	0.3
118.04156	0.3
119.04956	23.5
125.02383	0.4
127.03941	1.9
129.05481	0.7
131.08714	0.2
133.04977	0.8
134.38109	0.2
140.14355	15.3
143.06306	0.2
145.04974	1.6
147.04424	100.0
158.15419	27.2
201.05466	0.6
275.09232	1.7
304.19083	3.1
450.25217	0.2
467.08444	0.2
612.30194	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
55.05502	0.4
57.03429	0.7
57.68657	0.2
58.06605	0.2
59.63966	0.2
61.02929	0.8
62.68182	0.2
65.03945	1.0
66.22758	0.2
66.47543	0.2
67.05509	1.2
68.05036	0.4
69.03437	3.1
70.06600	4.7
71.04992	0.8
73.02926	0.7
81.03429	1.1
81.07048	0.3
83.04984	1.0
84.08154	0.4
85.02914	11.4
87.04467	0.5
91.03989	0.6
91.05490	7.8
96.08140	0.3
97.02901	3.1
98.09705	49.1
99.04457	0.6
106.33210	0.2
107.04969	0.8
109.02889	1.0
109.10188	0.4
111.04464	0.7
111.10448	0.5
112.11230	0.3
115.03940	0.6
119.04958	19.0
127.03941	2.6
129.05504	0.7
133.04985	0.8
136.73114	0.2
140.14359	19.3
145.04991	1.7
147.04427	100.0
158.15425	26.8
162.97786	0.2
163.05923	0.2
166.96964	0.2
183.84172	0.2
201.05563	0.8
275.09125	2.3
304.19122	3.9
612.30200	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68073	0.6
51.23469	0.6
53.03941	2.5
55.01873	1.8
55.05515	16.3
57.03438	5.5
57.07076	3.0
65.03933	2.3
67.05509	41.1
69.07074	14.9
71.04997	1.4
74.09724	0.8
75.14211	0.8
76.69149	0.6
79.05497	32.7
81.07060	42.5
83.04980	1.2
83.08627	8.4
85.06542	1.7
91.05484	28.7
93.07048	34.4
95.04978	2.0
95.08611	35.0
96.36399	0.7
97.06552	1.9
97.10155	4.2
99.08119	1.5
105.04525	1.2
105.07034	31.6
107.08604	20.9
109.06548	1.1
109.10161	13.5
111.07344	0.7
111.08098	2.0
115.05438	1.5
117.07013	13.4
119.08579	25.0
121.06548	0.7
121.10151	15.4
123.08102	1.2
123.11720	4.4
125.09640	1.4
128.06245	1.9
129.07025	8.4
130.07806	1.0
131.08572	22.1
133.10147	21.9
133.10912	0.5
135.11697	12.1
137.09610	1.1
137.13237	1.5
139.11153	0.7
141.06998	2.6
142.07816	1.5
143.08574	10.9
145.10127	21.3
147.11685	17.7
149.09619	1.3
149.13251	8.1
155.08542	5.4
156.09340	1.7
157.10133	11.6
159.11693	15.5
161.13272	12.1
163.14853	2.5
167.08618	2.0
169.10124	6.7
171.11699	11.3
173.13272	11.7
173.14697	0.9
175.11221	1.0
175.14867	4.8
177.12973	0.7
177.16553	0.9
181.10135	2.6
183.11723	7.1
185.13272	9.5
187.14833	6.8
189.16415	1.5
191.14299	0.8
195.11742	2.6
197.13258	4.3
199.14807	5.2
201.16475	3.7
203.18045	1.2
207.11719	1.0
209.13287	2.2
211.14844	3.0
213.16347	4.4
215.18071	1.7
219.17575	1.4
225.16422	2.6
227.18034	1.7
229.19592	1.9
231.21083	1.6
237.16319	1.2
239.18013	2.9
241.19637	8.0
243.21181	1.3
251.18088	0.8
253.19548	0.8
255.21240	1.0
257.18997	3.4
259.20566	20.2
261.22119	3.7
271.20654	0.8
275.20251	0.8
295.24020	0.7
299.23712	1.0
311.23431	0.8
315.23291	2.4
317.24753	1.2
323.23563	0.8
331.22742	0.8
333.24265	12.0
335.25815	19.5
337.27414	2.2
339.26874	1.6
347.26013	0.8
395.28870	0.9
449.34280	0.9
519.41992	5.9
537.43042	3.9
541.39038	1.4
543.40283	0.7
593.45667	9.2
611.46722	100.0
612.46741	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
53.99862	0.7
55.01875	1.2
55.05514	11.7
57.03443	4.2
57.07070	3.1
62.81937	0.8
65.03965	0.9
66.49129	0.7
67.05509	25.8
69.07077	12.6
71.04977	1.5
71.08630	2.5
79.05495	17.3
79.05917	1.3
81.07059	24.8
83.04987	1.3
83.08617	6.2
85.06561	0.9
91.05482	15.0
93.07047	18.2
95.04966	1.1
95.08608	19.5
97.06544	1.8
97.10177	2.8
99.08081	1.4
105.04482	0.8
105.07037	16.8
107.08598	9.6
109.06512	1.1
109.10175	7.8
115.05421	1.2
117.07014	7.4
119.08582	13.9
121.10153	7.9
123.08083	0.9
123.11731	1.6
125.09650	0.9
126.66378	0.7
129.07005	7.9
131.08577	16.1
133.10132	9.7
135.11710	3.5
137.09610	0.9
137.13280	0.9
141.07018	2.8
142.07780	0.8
143.08575	10.5
144.09424	1.3
145.10141	12.9
147.11694	5.6
149.13275	2.7
155.08574	6.1
157.10118	9.0
159.11694	9.5
161.13292	2.7
163.14841	1.1
167.08565	2.0
169.10135	9.0
171.11697	7.9
173.13286	7.0
175.14825	1.7
179.14400	1.4
181.10176	3.2
183.11720	6.7
185.13284	5.7
187.11305	1.1
187.14880	2.7
189.16432	1.8
195.11664	3.5
196.12341	0.8
197.13269	4.1
199.14844	3.7
201.16457	2.8
205.19528	0.9
207.11674	0.9
209.13298	2.3
211.14941	2.7
213.16449	3.2
215.18033	1.8
221.13139	0.8
223.14877	2.8
225.16443	3.2
227.18004	2.1
229.19547	1.7
235.14825	1.4
237.16469	1.7
239.18008	2.1
241.19707	2.0
243.21219	0.9
251.18001	1.4
253.19557	1.5
256.26663	1.1
257.19055	1.3
259.20621	0.9
265.19455	1.2
269.19092	1.0
269.22791	1.3
275.20093	1.9
277.21774	1.0
299.20282	0.9
313.21518	0.9
341.24994	1.2
353.28448	0.9
409.30997	1.0
423.32516	1.0
435.32562	0.7
501.41583	1.2
519.42175	6.9
537.43188	5.4
541.39111	1.9
555.44342	1.0
593.45703	7.9
611.46735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
53.03943	2.4
55.01870	2.2
55.05268	1.0
55.05518	13.8
57.03443	5.1
57.07078	2.6
65.03944	1.7
67.05510	32.8
69.07072	12.4
69.44103	4.7
71.04992	2.0
71.08635	1.9
76.11327	0.6
79.05499	27.3
81.03437	0.9
81.07062	34.4
82.07455	0.6
83.04998	2.2
83.08624	5.6
85.06561	1.6
89.06013	0.8
91.05483	23.6
93.07050	28.1
93.74796	0.6
94.07391	0.7
95.04979	3.0
95.08616	27.9
97.06527	2.8
97.10164	3.5
97.16909	0.6
98.09743	0.6
99.08067	1.2
105.04506	1.5
105.07038	23.5
107.08604	18.2
108.08943	0.7
109.06547	1.2
109.10171	11.9
111.08094	1.5
115.05445	1.2
117.07024	10.1
119.08590	21.6
121.10156	13.3
123.08150	1.0
123.11700	3.8
125.09634	1.4
127.58334	0.6
128.06242	1.4
129.07024	6.8
130.07800	1.1
131.08582	17.5
133.10130	16.6
133.11099	1.0
135.11702	8.7
137.09605	0.7
137.13301	1.3
141.06993	1.9
141.25864	0.6
142.07829	1.6
143.08568	9.1
144.09367	0.8
145.10130	17.1
147.11697	15.1
147.12802	0.9
149.13266	5.9
155.08536	3.3
157.10155	9.0
158.10893	0.7
159.11702	13.5
161.13275	10.8
163.11247	1.5
163.14880	2.7
167.08560	1.0
169.10129	4.9
170.10828	0.7
171.11697	9.1
173.13275	8.8
175.11282	0.6
175.14841	4.6
177.12816	1.1
177.16446	1.2
181.10139	2.4
182.10794	0.6
183.11711	4.7
185.13284	7.6
187.14822	5.0
188.11623	0.6
189.16441	1.2
195.11742	2.1
197.13245	3.8
199.14867	3.6
201.16487	2.3
202.30864	0.6
203.17961	1.2
207.11897	0.8
209.13342	1.8
211.14838	2.9
213.16373	3.6
215.17978	2.1
223.14890	2.1
225.16376	1.5
227.17990	1.4
229.19456	1.3
231.21176	1.1
239.18027	1.8
241.19627	6.2
243.21149	1.6
249.22392	0.6
251.18042	0.8
253.19574	0.7
255.21133	1.0
257.19070	2.7
259.20587	13.6
261.22159	3.1
275.20181	1.0
277.21625	1.8
299.24045	0.7
302.45462	0.6
311.23822	0.8
315.23315	1.2
325.25400	0.9
331.22736	1.1
333.24274	9.6
335.25836	18.1
337.27332	1.7
339.26950	0.8
353.28690	1.0
359.25793	0.7
369.27704	0.8
373.27194	0.7
381.31729	0.8
409.31116	0.8
449.33932	0.9
463.34201	0.6
489.36066	1.0
501.34637	0.8
501.41403	0.8
519.41870	5.7
523.38220	0.6
527.37500	1.1
529.38525	0.8
537.43042	2.5
541.38647	1.1
593.45813	7.8
611.46698	100.0
612.47180	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
54.39620	0.9
55.01886	2.0
55.05513	15.4
57.03441	8.2
57.07071	2.8
65.03939	2.1
67.05508	47.3
69.03436	1.0
69.07066	13.6
71.04986	2.3
71.08640	4.9
73.04759	6.9
79.05496	38.5
81.03408	1.8
81.07058	43.9
82.97456	0.9
83.04977	2.7
83.08626	8.2
85.06554	2.4
91.05428	28.1
93.07046	46.0
95.04981	3.1
95.08610	39.4
97.06537	3.9
97.10173	4.1
99.08099	3.3
105.04514	1.8
105.07035	24.7
107.04947	1.1
107.08596	24.2
109.06507	1.9
109.10155	17.4
111.08094	2.0
114.07381	3.6
115.05472	1.2
117.07029	10.0
119.08592	21.5
121.06504	1.8
121.10153	21.0
123.08099	1.9
123.11739	5.3
125.09660	2.7
128.06259	1.1
129.07024	5.8
131.08574	16.4
133.10132	18.0
135.08052	1.5
135.11690	13.4
137.09601	2.0
137.13208	1.5
141.07007	2.0
142.07870	1.3
143.08542	6.1
145.10135	14.8
147.11697	13.9
148.85669	1.0
149.04552	1.0
149.09645	1.5
149.13310	8.0
151.11172	1.4
153.24773	1.0
155.08591	2.5
157.10144	5.8
159.11696	13.0
161.09709	1.3
161.13287	10.1
163.11208	1.3
163.14885	3.9
167.05588	3.6
169.10193	3.1
171.11687	6.3
173.13293	9.4
173.90723	1.2
175.14880	4.6
179.14325	8.7
183.11771	4.4
185.13258	4.9
187.14809	7.6
197.13298	2.6
199.14867	3.8
201.16389	1.6
205.15942	1.1
208.56558	1.0
211.14938	1.2
213.16425	2.1
215.17906	1.5
225.16383	1.5
229.59836	1.1
231.21141	1.2
239.09514	3.6
239.18105	2.2
240.09633	1.1
241.19675	5.3
243.21103	2.0
253.19708	1.6
257.19116	2.1
259.20554	12.8
261.22156	4.5
268.00165	1.1
268.97897	1.8
269.97952	1.5
275.20197	3.6
277.21680	14.6
283.03143	1.1
285.01025	3.2
286.01019	2.6
299.06339	2.9
300.06332	2.2
313.91473	1.0
317.24774	1.6
331.22784	1.7
333.24130	6.7
335.25833	12.3
337.27484	2.2
351.25446	1.8
355.07010	6.2
356.07050	8.7
357.06787	1.5
507.36197	2.0
519.42120	2.7
537.42542	1.2
593.45770	5.7
611.46759	100.0
612.47528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
53.45196	1.0
55.01861	2.8
55.05505	2.4
57.03422	1.7
65.03927	1.8
67.05497	5.0
68.05022	1.3
68.99815	1.9
69.03420	2.4
69.07059	2.3
70.06594	35.1
70.63541	2.8
71.06937	1.4
72.08149	2.1
73.02887	1.6
79.05500	6.1
81.03411	2.4
81.07044	4.5
83.04964	2.1
84.04503	4.2
84.08154	10.0
85.02896	4.5
86.06062	2.3
86.09718	5.8
91.03950	1.8
91.05474	14.0
93.07041	13.1
95.04958	4.9
95.08601	2.3
97.02891	2.5
98.09695	2.6
103.05472	11.6
105.07040	13.4
107.04966	6.7
107.08572	3.2
109.02868	1.1
109.06519	2.6
109.10110	2.5
110.07172	1.5
115.05441	1.9
117.07022	1.9
119.04967	5.6
119.08567	2.8
120.08092	4.6
120.08891	1.1
121.02848	1.2
121.06506	78.7
121.10079	2.8
123.04425	3.8
127.03860	2.2
129.10229	3.6
131.04886	1.1
133.06482	12.5
133.10103	1.5
134.07248	1.5
135.04395	2.8
136.07571	3.1
137.05971	7.2
145.06508	1.4
145.10103	2.6
147.03246	1.9
147.04413	34.0
147.08028	1.7
148.05127	1.9
149.05986	77.9
150.06764	14.3
151.07556	2.6
157.06445	1.7
159.08058	5.5
161.05945	3.2
161.09583	1.4
163.03943	1.3
165.05540	1.9
165.06995	3.7
166.07744	1.5
167.08516	3.0
173.05968	2.1
174.06827	1.5
176.10608	1.3
177.05435	1.3
178.07744	3.1
178.09966	1.2
179.08456	2.3
181.10117	2.9
187.07544	6.7
189.07072	2.2
189.09067	2.9
190.07780	2.6
191.08546	3.1
193.10004	1.8
194.07263	3.3
195.08081	3.0
197.05972	1.4
203.08658	2.1
205.06451	4.4
206.07190	3.4
207.08067	3.1
209.09633	5.3
210.06856	1.8
211.07445	1.6
219.08072	5.1
220.08875	1.8
221.05914	1.7
221.09587	4.3
222.06761	5.0
223.07568	7.2
224.08368	1.7
225.05516	1.2
225.09029	2.6
229.15535	5.6
231.08099	2.4
233.06050	1.4
233.09616	1.7
234.06808	5.8
235.07547	7.3
237.09108	18.4
239.10524	1.4
243.10118	1.3
247.07538	4.2
248.08385	3.4
249.09117	18.1
250.06158	3.3
251.07037	21.8
252.07750	3.5
253.04880	1.4
253.08575	3.5
255.10063	1.8
259.07544	1.7
263.06985	3.1
263.10547	2.1
265.08594	28.6
266.09409	1.5
267.06613	3.3
267.10107	4.6
275.07083	4.4
276.07849	2.8
277.08575	16.6
278.09317	1.8
279.06625	5.1
279.09808	1.3
280.07297	11.4
281.08408	2.6
281.11661	24.1
282.12460	10.8
283.09958	1.9
283.13278	11.1
287.05484	3.2
291.10086	6.5
293.08078	100.0
294.08899	3.8
295.06378	1.8
295.09674	32.4
303.09802	1.4
305.11780	3.9
309.11221	2.9
311.09113	19.1
311.81024	1.4
313.10776	3.1
315.10086	2.5
333.11203	26.0
351.12360	13.3
369.13199	3.4
443.14728	2.3
474.15619	1.9
571.03223	1.6
575.20746	6.7
593.21124	7.4
611.21613	1.5
611.30780	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	610.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.5
55.01875	6.4
55.05516	23.1
57.03424	8.1
57.07071	15.6
61.02934	3.7
67.05512	41.0
69.03428	14.9
69.07075	48.2
69.27835	26.8
70.06600	28.0
71.04981	8.6
71.08634	9.9
72.08142	7.3
79.05495	32.5
81.03422	9.7
81.06590	5.6
81.07062	100.0
83.04980	5.5
83.08625	31.6
84.08154	23.1
85.02914	26.0
85.06548	3.1
86.06091	4.3
86.09700	11.8
87.00827	7.4
91.05466	27.5
93.07053	51.5
95.04955	8.9
95.08614	97.6
97.02882	12.0
97.06525	6.7
97.10197	16.4
98.06051	3.1
98.09705	7.8
99.04464	4.6
105.01915	16.1
105.07040	31.4
107.08607	47.6
109.02898	6.8
109.06533	4.6
109.10163	64.3
110.07162	3.4
111.08094	6.4
111.11722	7.6
117.07010	2.8
119.08586	22.7
120.08090	7.4
121.06520	12.2
121.10145	38.4
122.65356	3.0
123.08081	3.9
123.11713	37.5
124.26753	2.7
125.09624	4.0
125.13232	6.5
127.03899	16.2
129.07024	5.8
129.10240	8.3
131.08606	5.1
133.10130	14.1
135.11697	32.6
136.06209	3.0
136.07561	2.7
137.09651	7.7
137.13287	25.1
139.11212	5.4
145.05000	6.7
145.10112	10.5
147.04428	8.3
147.11702	23.0
149.13268	26.8
150.09161	5.4
151.11270	3.6
151.14842	10.6
153.12819	4.9
161.13278	12.4
163.11209	5.7
163.14839	16.5
165.12773	10.0
165.16438	3.4
175.14848	5.9
177.16415	10.4
183.13802	4.6
189.16472	6.9
191.17961	6.6
193.12344	3.5
203.18057	7.7
217.19530	13.9
227.12602	4.9
231.04947	6.6
242.15941	3.0
247.24352	4.1
249.06026	4.2
261.26038	4.0
273.25775	47.4
287.05478	4.8
289.25299	3.7
291.26831	50.0
307.26544	3.1
309.27847	15.4
327.29221	3.9
592.34076	7.1
610.28137	10.1
610.38623	3.7
611.23505	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	611.1611
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03935	0.5
55.01865	0.4
55.29984	0.1
56.34023	0.1
57.03422	0.3
58.55932	0.2
61.02937	0.7
62.24881	0.1
68.99804	0.3
69.03436	2.1
69.21149	1.1
70.06599	0.1
71.04984	0.3
73.02902	0.3
74.90354	0.1
81.03433	0.9
85.02914	5.5
87.04465	0.2
91.03963	0.4
97.02894	1.9
98.09710	0.1
98.20776	0.2
99.04453	0.2
102.65185	0.1
105.03396	0.2
107.05000	0.2
109.02875	0.6
111.00796	0.5
113.49599	0.1
115.25296	0.1
116.40486	0.1
116.90977	0.1
121.02866	1.8
127.03918	1.3
133.02849	0.5
137.02332	0.5
145.04956	1.0
147.04420	0.5
153.01845	2.4
157.06538	0.2
165.01857	1.3
171.04468	0.2
183.02881	0.6
185.05995	0.4
189.05470	0.2
199.57234	0.1
213.05441	1.2
231.06544	0.5
241.05013	0.8
258.05240	0.9
259.06046	0.3
269.04349	0.2
287.05518	100.0
288.05817	1.1
303.05197	0.2
322.43835	0.1
449.10837	8.6
450.10913	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
54.71608	0.1
55.01867	0.5
55.05507	0.4
56.05031	0.3
57.03427	0.2
60.04513	0.2
61.80959	0.2
65.03942	0.6
66.74398	0.1
67.05497	0.6
68.05033	0.2
69.03423	0.5
69.07054	0.5
70.06600	1.9
71.04977	0.7
71.52007	0.1
71.52382	0.2
72.08141	0.6
79.05491	0.9
81.03423	1.4
81.07063	2.1
83.04967	0.2
83.08629	0.2
84.04482	0.4
84.08157	1.4
85.02894	0.7
85.06530	0.3
86.06076	0.5
86.09717	1.3
87.57738	0.1
91.05479	5.3
93.07059	2.2
95.04974	0.3
95.08601	0.5
97.02898	0.4
97.06525	0.6
98.09695	0.5
99.04473	0.8
105.07035	1.8
107.08594	2.6
109.02891	1.3
109.06529	0.6
109.10141	0.2
110.07172	0.3
110.09737	0.2
111.08099	0.2
113.05964	0.2
117.07056	0.3
119.04951	14.9
119.08573	0.6
120.08115	0.6
121.06535	1.4
121.10162	2.3
123.08082	0.3
127.03928	1.1
129.10213	0.7
133.10123	0.1
135.08028	0.4
135.11670	0.8
136.07594	0.5
140.14343	0.2
145.04903	0.2
145.10138	2.0
147.04417	100.0
148.04732	0.6
149.09634	0.7
155.95529	0.2
163.11185	4.3
166.61652	0.2
167.10654	0.9
169.08656	0.8
173.09676	0.4
181.12262	0.6
185.11758	0.2
191.10687	2.6
204.06638	0.2
209.11687	1.6
222.07629	11.1
227.12738	2.4
269.14056	0.2
335.15009	0.2
353.15942	0.6
371.17093	0.5
517.20410	0.2
610.28723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
53.03957	6.9
55.01882	4.3
55.05516	16.6
57.03439	9.4
57.07079	2.5
62.59438	0.9
65.03938	4.2
67.05508	52.9
68.61641	0.9
69.03440	1.2
69.07075	17.4
69.07427	1.8
69.82255	4.3
71.04997	2.1
71.08652	1.0
72.87731	0.8
73.06545	1.1
74.07405	0.8
77.03918	1.3
79.05499	50.9
81.03434	4.2
81.07059	59.0
83.04984	5.1
83.08620	8.1
85.06557	3.8
91.05485	59.2
91.95372	0.9
93.07050	55.1
95.01350	3.3
95.04988	5.8
95.08611	33.1
97.06544	7.4
97.10185	2.1
99.04463	2.8
99.08113	1.5
103.05484	1.5
105.04522	2.7
105.07037	43.9
107.04956	8.1
107.08604	26.1
109.06525	9.3
109.10159	11.0
111.08111	3.8
117.07029	16.1
119.08588	32.8
121.06554	1.9
121.10160	16.2
123.08065	4.2
123.11729	3.3
125.09649	1.4
128.06244	1.3
129.07054	3.6
130.07773	1.8
131.08575	27.0
133.10133	24.2
133.11096	1.7
135.08084	3.8
135.11705	11.0
137.09653	3.4
139.11259	1.2
141.07030	1.1
143.08592	3.5
145.10136	16.5
147.11690	10.7
149.09651	4.5
149.13268	4.3
151.07640	0.9
151.11304	1.0
153.12767	2.8
155.08583	1.4
157.10172	3.2
159.11708	10.0
161.09651	1.1
161.13304	5.8
163.11154	2.4
163.14809	1.2
169.10127	1.6
171.11757	2.1
173.13280	4.9
175.14824	1.8
177.12767	2.1
179.14305	6.3
183.11711	1.6
185.13329	3.0
187.14905	1.2
197.13342	1.4
199.14882	1.5
201.16402	5.0
203.14331	3.7
219.17451	100.0
229.19510	1.1
239.18039	1.5
247.20778	2.0
257.19098	6.2
261.22086	1.4
275.20074	53.7
286.92889	0.9
293.21085	5.6
293.79279	0.8
308.60617	1.1
335.25928	1.9
349.23721	2.2
439.04929	1.1
444.33478	0.8
455.78967	0.9
460.85556	1.1
505.34885	1.7
543.40540	1.8
609.45160	88.0
610.45319	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1809
Annotation	Diosmin 
Peak:m/z	Relative Intensity
50.91458	0.1
55.01852	0.2
56.05017	0.3
57.03418	0.4
57.64153	0.1
60.04512	0.2
64.15043	0.1
64.31856	0.1
64.90726	0.1
68.05015	0.6
69.03415	0.3
70.06255	0.1
70.06597	1.9
71.05002	0.7
72.08158	0.6
73.02904	0.3
74.06074	0.1
74.09720	0.2
80.05029	0.1
81.03430	0.2
83.04974	0.1
84.04509	0.3
84.08147	1.9
85.02905	1.4
85.07646	0.2
86.06071	1.0
86.09709	1.5
87.10060	0.1
90.26740	0.1
93.07047	0.1
95.53003	0.1
96.04484	0.2
97.02885	0.3
98.09692	0.6
102.05545	0.1
107.04932	0.1
110.07173	0.5
113.07150	0.2
114.05603	0.1
115.03935	0.2
115.08700	0.1
115.37373	0.1
120.08096	0.5
125.97605	0.1
127.03954	0.2
129.05501	0.3
129.10272	0.6
130.06522	0.1
132.08128	0.1
133.04950	0.1
136.07599	0.4
138.06564	0.2
140.14317	0.2
147.04440	0.2
147.07602	0.1
148.07538	0.1
153.01837	0.5
159.09222	0.2
175.03922	0.2
187.10788	0.2
203.87851	0.1
229.04895	0.4
258.05246	12.0
259.05847	0.1
269.04395	0.2
286.04721	32.2
287.05191	0.4
301.07062	100.0
302.07492	0.9
335.14890	0.1
427.21661	0.2
461.98621	0.1
463.12460	0.5
503.75507	0.1
529.87445	0.2
534.26904	0.1
582.87817	0.1
609.17975	0.3
634.82184	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	608.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.9
53.03945	3.3
53.27290	1.0
53.50941	0.9
55.01886	2.2
55.05516	18.2
56.05040	1.1
57.03431	3.5
57.07079	7.8
59.04976	2.2
61.02923	1.1
65.03910	1.4
65.47797	1.1
67.05508	19.0
68.05026	1.4
69.03441	6.5
69.07072	54.0
69.82295	4.3
70.06599	6.3
71.05003	6.7
73.02890	1.4
73.06526	1.1
73.51396	0.9
79.05068	1.4
79.05495	14.9
81.03438	5.0
81.07063	77.7
83.05004	2.0
83.08619	21.8
84.04510	1.2
84.08142	5.2
85.02911	8.4
85.06537	3.9
86.06067	1.1
86.09721	2.0
87.00822	3.7
91.05482	11.4
93.07048	35.9
93.07642	2.0
95.04977	3.0
95.08615	47.1
97.02884	3.8
97.06521	6.6
97.10176	6.0
98.09684	1.4
98.21468	1.0
99.04447	1.2
105.01890	6.7
105.07039	24.7
107.07880	1.9
107.08599	33.8
109.02882	1.3
109.06551	5.7
109.10172	26.2
110.07127	1.1
111.08094	5.9
111.11739	10.5
117.07036	1.1
117.46125	1.1
119.08595	17.4
120.08080	1.1
121.06497	2.6
121.10152	41.1
123.04488	1.3
123.08082	3.3
123.11715	69.0
125.09602	2.6
127.03938	5.9
129.10252	2.5
131.08591	3.0
133.10141	8.6
135.11699	7.5
136.07582	1.8
137.09631	1.2
137.13266	7.2
139.11188	9.6
141.12723	2.1
145.04984	1.9
145.10097	4.7
147.11690	13.5
149.09650	1.8
149.13261	20.3
151.11211	14.6
151.14822	2.8
153.12767	2.0
157.10043	1.4
157.90436	1.1
159.08125	1.1
159.11723	6.3
161.13297	6.8
163.14825	3.9
164.59996	1.0
165.12756	13.4
167.14330	18.8
169.12253	16.9
173.13271	4.2
175.14828	4.4
177.16385	2.5
179.14305	2.0
187.14816	3.2
189.16399	3.1
191.18062	1.3
192.16058	1.3
193.15959	3.8
201.16382	3.9
215.17911	3.1
217.19479	1.2
219.17445	3.1
231.05090	2.1
231.21021	3.8
233.19054	1.8
249.06006	2.6
249.22157	5.1
267.16040	1.6
271.24258	12.0
288.79736	1.3
289.25278	100.0
307.26328	51.8
501.27792	1.1
519.29486	1.5
537.30371	3.8
572.32220	2.7
590.32867	3.5
608.34222	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.2
55.01862	4.3
55.05516	17.5
57.03432	6.5
57.07073	1.7
61.02924	1.5
65.03937	4.1
67.05508	49.4
69.03431	13.8
69.07065	14.6
69.34650	0.8
69.72538	5.5
70.06573	2.8
70.23235	1.0
71.04990	4.5
73.02920	1.6
79.05496	35.5
80.62331	0.9
81.03423	54.0
81.07059	63.6
83.04980	10.1
83.08623	12.5
84.08158	1.8
85.02911	8.7
85.06531	4.2
86.09698	1.4
91.05489	31.5
93.07050	45.4
95.04974	8.0
95.08611	20.5
96.13626	1.0
97.02901	9.7
97.06535	7.6
97.10153	1.2
98.09713	3.3
98.20709	0.9
99.04464	4.7
99.08087	2.3
105.04497	1.2
105.07040	18.9
107.04969	3.1
107.08599	25.1
109.02890	7.5
109.06540	4.0
109.10168	4.4
110.07147	1.2
111.04449	8.0
111.08102	5.0
113.06014	1.2
113.09637	1.4
115.05426	1.5
117.07020	10.9
119.08588	11.2
120.08167	1.1
121.06497	4.9
121.10155	13.3
123.04438	1.0
123.08108	1.9
123.11713	5.3
127.03913	7.3
129.07011	4.7
131.04979	1.2
131.08585	10.9
133.06552	2.9
133.10138	11.6
135.08046	3.3
135.11720	6.9
137.05917	0.9
137.09618	1.6
140.14365	2.6
143.08572	3.5
145.06512	2.3
145.10139	4.4
147.08035	1.8
147.11687	10.0
149.09676	2.0
149.13271	16.9
151.07494	1.2
151.11180	1.2
155.08517	2.5
157.10150	2.6
159.08055	1.6
159.11703	10.7
161.05988	1.2
161.09656	1.3
161.50195	1.1
163.11134	1.6
165.12773	3.5
167.07068	1.2
167.08641	1.0
171.11772	2.2
173.04446	3.0
173.13301	1.1
175.11183	1.1
177.12733	6.3
183.06555	2.2
183.11697	1.1
185.13269	1.3
193.12216	1.6
195.13829	14.0
197.13199	1.2
201.12744	1.3
209.28435	1.1
213.14929	4.0
219.13773	1.4
233.15479	1.2
249.15089	1.2
253.18190	1.1
261.14850	1.7
267.15891	5.0
269.17471	12.3
275.16351	2.9
285.14890	1.8
297.17084	1.8
297.42175	0.9
303.16074	2.7
321.17001	4.1
329.24765	0.9
336.11310	1.0
339.17969	10.7
377.19785	3.7
395.20615	16.1
445.29352	6.3
463.30557	10.9
479.29477	1.7
487.30344	1.4
529.31000	1.3
533.31116	1.8
571.32501	1.1
589.33588	6.1
607.34772	100.0
608.35333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	0.7
57.03355	0.3
57.07013	1.1
57.07262	0.3
59.04957	0.5
61.63901	0.3
64.14713	0.3
67.05431	1.8
69.07007	0.8
69.93048	1.2
71.08560	0.9
79.05424	0.5
81.07044	1.6
83.08554	0.5
87.04404	0.8
88.68711	0.3
91.05417	0.5
93.06964	0.9
95.04919	0.5
95.08510	1.1
105.06969	0.3
107.08517	0.5
109.10075	1.2
114.34025	0.3
117.06998	0.5
119.08487	0.4
121.10103	0.4
131.08511	0.3
134.66887	0.3
135.11671	0.3
137.13220	0.3
139.67622	0.3
145.06342	0.4
151.11140	0.4
161.43456	0.3
179.14268	0.4
188.95103	0.3
229.14262	0.4
271.16705	0.4
277.21582	0.8
312.14960	0.4
313.27261	1.3
345.46982	0.3
351.25281	0.6
387.15930	0.4
389.17639	1.1
390.19049	0.5
401.17563	0.7
402.18216	1.0
403.19168	4.1
404.19955	0.9
405.20767	1.3
415.19461	0.5
416.20056	1.2
417.21298	4.3
418.16809	0.4
418.21616	3.0
419.22293	2.9
429.21118	0.5
430.17734	1.1
431.18076	7.5
431.23547	0.6
432.18329	1.6
432.23996	0.7
433.24030	9.1
434.24792	0.9
443.18326	0.5
444.23590	0.4
445.19827	10.6
446.20709	4.4
447.21759	3.2
449.36935	0.4
457.20316	0.4
458.20996	0.5
459.21167	4.2
460.22601	11.1
461.23340	13.5
467.37802	0.3
473.23615	2.9
474.24109	1.1
477.22876	0.8
487.25070	2.3
488.25745	0.4
490.23932	0.5
491.25528	0.4
492.25159	0.9
503.24268	0.4
505.21393	1.8
506.26688	0.5
515.24500	0.5
518.23358	0.4
519.24292	1.5
519.26959	1.2
520.24176	0.4
532.24475	0.8
533.25824	0.5
547.27039	47.4
548.27399	0.9
575.26385	1.1
578.25488	0.4
579.29651	0.9
589.48273	0.7
606.47461	0.3
607.29138	100.0
608.29657	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2914
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
55.05500	0.3
57.07040	0.4
60.20405	0.2
66.21660	0.2
66.62826	0.2
67.05487	0.4
69.07035	0.3
70.10984	0.7
70.26739	0.1
71.08609	0.3
79.05450	0.4
79.56961	0.2
81.07015	0.6
83.08585	0.2
86.29607	0.2
91.05437	0.3
92.39181	0.1
93.06984	0.5
95.04905	0.2
95.08564	0.5
98.20781	0.3
105.07020	0.3
107.08536	0.2
121.10127	0.2
129.33688	0.2
135.11685	0.2
179.14281	0.6
195.13530	0.2
202.10704	0.2
221.10692	0.3
223.12260	0.2
249.10275	0.2
277.21567	0.5
313.27335	0.6
326.17014	0.2
332.90384	0.2
351.25592	0.2
375.16553	0.2
387.16058	0.3
388.16949	0.5
389.17780	1.0
391.19260	0.2
400.17676	0.3
401.17816	0.5
402.18390	1.2
402.72223	0.2
403.19220	3.3
404.20032	1.1
405.20691	2.2
415.19302	0.5
416.20609	1.1
417.16553	1.2
417.21588	3.3
418.21716	2.2
419.22385	4.4
429.21075	0.4
430.17722	0.7
430.22159	0.5
431.18164	8.0
432.18637	2.1
432.24149	0.5
433.24026	9.1
434.24838	1.3
443.18088	0.3
444.19418	0.7
445.19855	10.5
446.20822	4.9
447.21704	5.4
449.23315	0.4
457.20642	0.2
458.21005	0.3
459.21637	5.0
460.22556	11.0
461.23358	11.9
472.22751	0.3
473.23712	3.4
474.24536	0.9
477.23004	0.9
486.58545	0.2
487.25119	1.7
488.25717	0.5
489.22751	0.5
490.23511	0.3
491.20358	0.3
491.24655	0.5
492.25067	1.2
493.24997	0.2
501.22830	0.3
503.24411	0.2
505.21722	3.3
506.26761	0.5
515.24371	0.5
517.22272	0.3
518.23358	0.5
519.24390	1.5
519.26990	1.5
532.24573	0.8
533.25635	0.6
547.27057	34.5
548.27460	0.6
563.22791	0.2
564.27136	0.3
565.28497	0.2
575.26355	0.9
578.25012	0.6
579.29803	0.9
589.48340	0.8
592.26508	0.3
607.29132	100.0
608.29535	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2552
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
62.86067	0.6
67.05508	2.2
67.33186	0.7
69.07070	1.0
79.05508	1.2
81.07072	1.6
91.05507	1.4
93.07048	1.3
95.08617	1.6
105.07040	1.4
109.10123	0.7
117.07053	0.7
125.09708	0.9
129.07001	0.9
131.08621	0.7
134.39633	0.6
161.44943	0.8
187.72038	0.6
261.22656	0.7
328.55258	0.6
366.31781	0.7
388.16882	0.8
389.17828	2.3
390.18857	1.0
391.19675	0.8
401.17722	0.9
402.18756	1.7
403.19681	3.4
404.20053	2.0
405.20914	2.6
416.15955	0.8
417.17142	3.3
417.21381	2.2
418.97885	0.7
419.22461	5.5
428.91019	0.7
431.18295	7.2
432.19696	2.3
433.20032	3.5
445.20450	5.2
446.20996	7.3
447.21689	7.1
459.17819	1.2
460.18658	0.9
461.19839	2.1
463.25357	0.9
474.20508	4.7
475.21225	4.9
477.23361	1.2
491.20197	1.7
501.23010	0.8
519.24146	16.6
547.23511	14.7
548.23602	0.8
579.25909	5.9
588.46991	0.9
607.25531	100.0
608.26007	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85093	0.3
53.03945	3.3
54.86720	0.3
55.01873	1.0
55.05514	0.5
56.05029	0.6
57.03448	1.8
60.04516	0.3
61.02917	0.9
63.81462	0.3
67.01531	0.4
67.01869	3.7
67.05510	1.1
68.05035	0.5
68.99808	0.7
69.03434	16.4
69.07069	0.9
70.06596	6.4
71.04996	3.9
71.52093	0.5
72.08175	1.8
73.02923	1.1
74.06087	0.5
79.05486	0.8
81.03423	24.1
81.07066	0.9
82.06628	0.4
83.01349	0.3
84.04513	1.1
84.08150	4.7
85.02909	13.3
86.06055	0.3
86.09713	5.6
87.00829	2.8
88.04050	0.3
89.49005	0.3
91.03968	0.4
91.05497	0.9
92.02625	0.5
93.03417	0.5
93.07054	1.3
95.04958	0.5
95.08626	0.9
97.02901	23.6
98.06086	0.4
98.09707	2.5
99.04466	5.5
103.03946	0.6
105.01875	0.9
105.07057	0.8
107.08606	0.9
109.02888	20.0
109.10181	1.3
110.06094	0.4
110.07168	1.0
111.00806	0.5
111.08084	0.7
112.08698	0.3
115.03938	0.4
119.08611	0.9
120.08117	1.8
121.02897	0.6
121.06503	0.9
121.10162	0.6
122.09730	0.4
123.08022	0.4
126.03177	0.3
127.03926	50.7
128.10735	0.3
129.01862	0.5
129.09210	0.4
129.10239	1.6
130.06543	0.3
133.10130	0.5
135.11746	0.5
136.07581	1.2
139.03944	0.7
140.10770	0.5
140.14374	1.3
143.11815	0.7
144.10300	0.3
145.04979	2.1
145.10114	0.5
147.04410	0.7
147.11710	0.3
151.03946	0.5
153.01833	6.0
159.11748	0.5
165.01793	0.4
166.08572	0.6
166.51616	0.4
168.64609	0.3
169.04994	0.9
173.12869	1.2
175.11279	0.3
187.06036	8.3
187.07713	0.5
201.05443	0.4
203.03404	0.4
213.03970	2.1
217.05005	0.5
228.04218	1.1
229.05038	2.1
231.03027	0.4
231.05034	1.8
245.04449	0.8
246.05247	1.3
255.05049	0.4
257.04462	2.2
273.03860	0.9
273.06079	1.0
274.04688	3.4
284.03482	0.3
285.03949	3.3
286.04767	0.4
287.05377	0.6
291.07156	0.7
301.07001	0.8
302.04257	11.0
316.05869	0.6
317.06573	100.0
318.06943	0.7
323.25760	0.6
341.26883	0.7
359.07712	0.5
383.19641	0.4
386.14032	0.3
442.26889	0.5
607.25659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13345	0.3
53.03943	0.6
55.01859	0.7
55.05515	4.0
55.09134	0.3
57.03432	0.4
57.07079	2.7
57.43672	0.3
58.53118	0.4
59.04997	2.2
64.14795	0.4
67.05187	0.5
67.05508	8.1
69.03430	1.8
69.07069	26.3
70.04183	0.7
70.04574	0.7
70.06580	1.5
71.04985	1.6
71.08595	0.5
72.08156	0.7
73.02895	0.6
79.05493	3.8
81.03415	1.0
81.07056	29.2
83.04968	0.8
83.08231	0.3
83.08623	4.2
84.04534	0.4
84.08133	1.1
85.02922	1.7
85.06544	4.8
86.09698	0.6
87.00809	0.5
91.05477	1.9
93.06488	0.6
93.07045	8.5
95.04961	1.0
95.08607	24.4
97.02877	1.2
97.06517	1.8
97.10175	2.6
97.50680	0.4
98.20856	0.5
105.07030	3.6
107.08601	9.7
109.02847	0.6
109.06509	1.1
109.10157	14.4
111.08058	0.8
111.11716	4.4
112.78020	0.3
117.07023	0.6
119.08567	4.1
120.08086	0.4
121.06512	0.8
121.10140	10.1
123.08067	0.5
123.11707	19.2
125.09602	0.9
125.13287	0.5
127.03914	1.0
131.08510	0.8
133.10127	3.3
135.11691	7.0
136.07567	0.4
137.09601	1.2
137.13252	23.8
138.13570	0.4
139.11159	2.0
145.10101	1.1
147.08008	0.5
147.11679	3.5
149.09651	0.6
149.13264	5.1
150.35216	0.3
151.11143	0.8
151.14761	0.7
153.09105	0.7
153.12711	0.8
157.10101	0.8
159.11728	0.6
161.09583	1.3
161.13249	2.5
163.11189	1.2
163.14772	1.8
165.12738	1.1
167.10684	1.2
167.14270	0.5
173.13211	0.6
175.11165	0.8
175.14893	1.8
177.12822	0.8
177.16386	1.8
179.18004	0.6
181.12247	2.7
189.16409	1.4
191.17947	1.1
193.12271	0.7
195.13808	1.0
199.14825	0.6
201.16238	0.4
203.17918	1.7
205.19427	0.5
209.19002	0.4
221.15318	0.7
231.17209	0.4
235.16922	0.7
245.22629	1.6
247.20563	1.0
249.18623	0.6
259.24255	1.7
269.22568	1.2
277.25226	1.5
287.23709	8.8
305.24738	100.0
306.25052	1.1
323.25815	2.2
409.25659	0.6
413.27048	0.7
553.30188	3.9
588.31512	0.9
603.76129	0.4
615.43182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67116	0.5
53.03937	1.7
55.00735	0.6
55.01862	1.4
55.05511	5.2
57.03436	1.1
57.07075	2.7
59.05013	3.1
59.05247	0.5
61.02922	1.8
65.03913	0.8
67.05506	8.7
69.03421	3.2
69.07072	23.8
69.60754	3.7
70.06594	2.5
71.04991	1.3
71.08614	0.8
72.08169	0.6
72.57683	0.5
73.02915	1.0
79.05508	3.8
79.62693	0.5
81.03413	4.8
81.07059	30.8
83.05000	1.2
83.08632	4.4
84.08126	2.1
85.02914	6.7
85.06551	4.7
86.09715	1.3
87.00818	3.2
87.04444	0.6
91.03938	0.7
91.05478	2.5
93.07051	9.5
95.04960	1.5
95.08615	23.4
95.21344	0.5
97.02895	4.0
97.06525	2.1
97.10175	2.1
98.20698	0.5
99.04462	2.1
99.08083	0.8
105.01855	2.0
105.07043	4.9
107.04942	1.0
107.08601	10.7
109.02877	2.3
109.06516	1.4
109.10163	15.9
110.07168	0.9
111.08084	1.4
111.11724	4.3
115.05491	0.5
116.25608	0.6
117.01870	0.7
117.06998	0.7
118.89430	0.5
119.08589	4.6
120.08083	0.5
121.06488	0.8
121.10154	12.1
121.15755	0.5
123.08052	0.9
123.11712	20.5
125.05974	0.8
125.09625	0.8
127.03911	4.4
127.07555	0.8
131.08623	1.2
133.10120	3.7
135.11691	6.9
137.09625	0.8
137.13263	22.8
139.07605	0.6
139.11188	2.6
145.04971	1.6
145.10149	1.7
147.04434	0.6
147.11685	3.6
149.09639	0.9
149.13268	6.0
151.14822	0.6
153.12712	0.6
157.10159	0.9
159.02838	1.6
159.11693	1.0
161.09581	1.2
161.13298	1.9
163.11191	1.3
163.14827	2.3
165.12746	1.0
167.10759	0.8
173.09618	0.6
173.13191	0.9
175.14824	1.8
177.16374	1.7
179.10628	0.7
179.17950	1.0
181.12144	2.5
184.07408	0.8
185.13261	0.5
189.16411	1.6
191.17981	1.2
193.12364	0.6
195.13828	1.0
203.14328	0.6
203.17989	1.2
205.19731	0.7
229.14291	1.2
235.16946	0.6
245.22699	1.6
247.20648	0.8
249.18596	1.0
259.24271	1.9
265.21490	0.8
269.22552	1.0
277.25354	1.4
287.23727	8.8
305.24756	100.0
306.25272	0.8
321.46234	0.5
323.25775	3.1
382.68866	0.6
395.25806	1.1
409.25742	1.7
413.26889	1.2
553.29956	4.3
570.30750	0.7
588.31726	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48657	3.1
53.03944	4.5
55.05518	29.1
57.03419	5.1
57.07067	11.7
67.05505	25.6
69.06754	2.9
69.07074	26.2
69.37630	3.1
71.01291	3.0
71.01665	8.5
71.08630	24.0
79.05498	26.1
81.03428	5.4
81.07056	25.3
83.05000	4.2
83.08633	22.6
85.10192	6.1
91.05488	16.4
93.07045	25.3
93.18640	3.1
95.04946	3.5
95.08601	19.4
97.06534	6.3
97.10136	12.6
99.08081	10.4
103.23284	3.0
105.07011	8.1
107.04937	6.0
107.08590	17.1
109.10126	4.5
119.08571	10.1
121.10158	15.3
131.08478	3.3
133.10138	8.3
135.11697	17.5
145.10036	2.9
147.11633	3.4
149.13261	5.8
151.11125	5.5
161.13213	4.4
179.14326	41.9
205.04604	3.4
237.21960	3.4
275.20245	4.9
277.21652	28.4
284.81870	4.0
293.21368	4.5
311.25748	52.3
351.25296	11.3
548.29608	3.6
557.69183	3.5
587.46698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
53.80757	0.3
55.01871	0.7
55.05503	1.1
56.05036	1.2
57.03423	0.7
60.04530	0.4
61.02932	0.7
67.05504	1.8
68.05035	0.9
68.38404	0.4
69.03426	1.4
69.07059	1.8
70.06599	7.6
71.04972	0.5
71.52148	0.5
72.08155	2.6
73.02924	0.9
76.50269	0.3
79.05501	1.0
81.03431	1.9
81.07056	2.6
83.08622	0.4
84.04495	1.0
84.08154	5.7
85.02915	2.1
86.06062	1.5
86.09711	4.0
87.04485	0.5
91.03935	0.6
91.05466	1.3
93.07057	1.9
94.06551	0.4
95.04968	0.9
95.08623	2.0
97.02886	1.0
97.06540	0.7
97.10159	1.8
98.09704	2.2
99.04459	0.6
103.03925	0.4
103.05461	0.5
105.07060	2.4
107.04994	0.9
107.08595	1.2
109.02888	0.5
109.06515	0.4
109.10180	1.2
110.07152	1.1
111.04374	0.3
111.08089	0.6
114.05500	0.5
119.04914	0.5
119.08586	0.9
120.08118	2.1
121.06519	1.0
121.10123	1.2
122.06059	0.5
123.08050	0.6
123.11708	1.1
125.09664	0.4
125.10754	0.4
127.03962	0.7
128.06271	0.4
129.10257	2.1
130.05035	0.4
131.08557	0.7
131.82343	0.4
133.05046	0.4
133.10133	1.0
135.11711	0.8
136.07579	2.0
137.13315	0.4
140.14343	0.6
145.10129	0.8
147.04428	0.8
147.08125	0.4
147.11641	0.8
159.11752	0.5
163.11177	0.6
169.04781	0.6
171.11693	0.4
189.12744	0.4
213.09782	0.4
217.04767	0.9
225.09784	0.9
243.10733	1.1
255.05092	0.6
267.12057	1.5
292.90714	0.4
303.23288	1.0
309.13156	0.4
321.24271	2.1
339.25244	0.6
349.16382	0.8
351.14063	0.8
361.09207	0.5
393.15247	0.6
411.16226	4.0
432.90540	0.4
442.19968	0.4
455.90775	0.4
467.11874	0.4
532.45526	0.4
543.21973	3.2
545.12653	0.8
545.20062	0.9
605.22046	100.0
606.22400	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05475	1.0
56.17220	0.3
57.03405	0.4
57.07039	1.2
67.05481	0.8
67.42355	0.3
69.07046	0.6
70.90770	0.7
71.08610	0.5
79.05473	0.6
81.07014	0.9
91.05483	1.6
92.05006	3.7
93.05753	0.8
93.07008	0.5
94.06532	0.9
100.57117	0.3
103.03945	0.5
106.06546	1.5
108.68834	0.3
117.05726	1.0
118.06545	12.6
119.07277	1.2
120.08061	1.2
130.06479	1.0
131.07242	0.5
132.08095	1.6
134.09590	0.6
144.08047	0.5
146.09631	0.7
162.09148	11.7
163.09950	3.8
164.10695	0.6
165.88313	0.4
176.10652	0.5
177.12762	0.5
202.15952	3.8
218.04720	0.3
230.15417	23.6
248.16478	1.3
249.51900	0.4
262.17969	0.6
274.18027	0.6
290.20877	0.4
292.19080	69.4
304.19171	0.9
322.20279	0.3
325.56296	0.3
348.21683	9.1
482.37949	0.4
530.54016	0.4
604.45782	100.0
605.46075	1.2
609.11652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
55.05513	1.0
56.05035	3.6
57.03445	0.3
57.06510	0.1
60.04523	0.2
61.02914	0.2
61.10065	0.1
67.05507	0.7
68.05028	0.4
69.03422	0.8
69.07063	0.2
70.04857	0.1
70.06591	3.5
71.04996	0.5
71.52058	0.1
72.08157	1.3
73.02916	0.2
74.06055	0.1
79.05501	0.5
81.03423	1.1
81.07055	0.3
82.06590	1.2
83.04990	0.4
84.04498	0.5
84.08144	100.0
85.02904	1.0
85.08479	0.4
86.06071	0.2
86.09706	1.7
87.05592	0.1
87.10012	0.1
88.04002	0.1
91.05486	0.4
92.02660	0.1
93.03398	0.1
93.07044	0.2
95.04964	0.3
96.08141	0.6
97.02882	1.1
98.06123	0.2
98.09695	2.5
98.98476	0.2
99.04460	0.4
101.07135	0.2
102.05540	0.1
105.07034	0.3
109.02878	1.2
109.84643	0.1
110.07173	0.5
111.04463	0.3
112.07587	0.3
112.08755	0.2
114.05562	0.6
115.08695	0.2
119.04948	0.6
120.08092	0.5
121.02869	0.2
121.06519	0.4
124.07600	2.3
126.09161	1.3
127.03917	1.2
129.10246	1.0
130.04988	0.2
136.07549	0.6
138.12715	0.1
139.03909	0.1
140.14359	0.9
142.08630	0.9
143.00330	0.1
143.11749	0.1
144.10199	11.0
145.04956	0.4
145.06000	0.1
147.04405	2.3
153.01826	0.8
155.08121	0.2
158.15427	1.2
163.11163	0.1
185.16351	0.1
186.11258	0.2
187.05959	0.5
192.10158	0.1
201.12393	0.1
217.04710	0.1
221.08281	0.1
228.12350	0.1
229.05042	0.3
246.05464	0.2
252.12395	0.6
257.04523	0.3
270.13354	4.2
273.03983	0.2
274.04926	0.6
274.12924	0.2
285.03940	0.7
287.05453	0.4
288.14413	18.6
289.14807	0.1
302.04233	2.2
304.19104	2.0
317.06561	11.7
586.23285	0.2
586.31885	0.2
604.20135	27.2
605.20502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.01870	4.1
55.05271	2.7
55.05510	35.0
57.03435	9.9
57.07077	34.4
67.05503	42.8
69.03398	2.7
69.07068	22.1
71.01114	3.4
71.04981	4.3
71.08629	24.4
79.05495	31.2
81.06594	3.2
81.07055	49.3
83.04964	2.8
83.08624	21.3
85.02945	1.5
85.06539	3.2
85.10195	15.2
91.05479	63.0
93.06488	2.3
93.07047	33.4
95.04964	5.3
95.08605	45.9
97.06520	4.7
97.10182	11.3
99.08098	2.2
103.05448	5.2
104.08838	1.5
105.07034	53.2
107.04944	4.1
107.08590	14.3
109.06522	6.4
109.10155	13.7
111.08070	4.7
115.05430	8.2
116.06223	5.5
117.06242	2.8
117.07024	40.1
119.04934	2.5
119.08577	31.7
121.06489	6.1
121.10132	11.1
123.08058	8.1
123.11689	4.9
125.09640	5.9
128.06209	26.5
129.07007	30.8
130.07777	11.7
131.08571	85.4
133.06505	4.9
133.10138	14.1
135.08061	5.0
135.11653	5.1
139.11143	2.8
141.06979	8.8
141.09111	2.1
142.07745	7.6
143.08562	95.8
145.06520	3.0
145.10126	100.0
147.08038	8.0
147.11679	6.2
149.09598	3.6
154.07797	3.2
155.08562	9.7
157.10138	25.3
159.08064	5.0
159.11684	19.1
161.09651	10.2
163.11127	4.5
165.07007	2.0
166.07802	2.8
167.08578	4.8
169.10126	14.7
171.11676	20.1
173.09645	3.4
173.13208	2.1
175.11215	5.8
177.12808	3.2
180.09349	2.6
181.10139	13.8
183.11694	12.4
185.09729	1.7
185.13246	6.3
187.11171	2.7
195.11670	24.8
197.13338	2.4
199.11116	2.0
201.12695	3.5
209.13258	3.6
211.14709	2.4
213.12773	3.4
227.17947	8.1
231.17584	2.9
237.16377	19.8
239.23672	4.3
241.14400	3.5
245.19025	5.2
255.17477	20.7
262.50891	1.8
273.18500	63.5
275.20062	3.7
293.21143	2.8
311.25769	3.3
313.27356	91.2
329.21182	6.2
347.22202	29.2
349.23553	1.9
567.44531	1.9
573.62793	1.8
585.45050	34.3
603.46234	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	603.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.01864	2.4
55.05273	2.0
55.05515	21.9
56.05019	1.9
57.03446	3.7
57.07060	3.0
61.02913	4.3
65.60363	1.3
67.05505	16.8
69.03434	18.6
69.07075	13.6
69.88676	3.9
69.89075	5.2
70.06593	20.9
71.04999	11.3
72.08156	6.4
73.02920	3.8
73.81296	1.5
74.56853	1.4
79.05494	15.5
79.33678	1.5
81.03426	19.1
81.06591	2.9
81.07059	43.8
83.04990	8.4
83.08612	6.0
84.04507	4.3
84.08138	12.8
85.02908	74.7
85.06535	13.4
86.06053	3.5
86.09729	10.4
87.04455	1.8
91.05486	16.0
93.07043	41.2
95.04977	4.7
95.08613	48.1
95.80289	1.3
96.04459	2.3
97.02887	21.9
97.06559	2.7
97.10172	21.9
98.09704	2.0
99.04454	48.8
99.08095	4.4
103.03943	81.9
105.07037	24.3
107.08598	40.1
108.08083	1.9
109.02881	19.9
109.06524	6.1
109.10159	34.3
110.07174	2.7
111.08070	3.6
113.09652	14.9
114.05494	2.3
117.07025	2.7
119.08587	30.9
120.08094	5.5
121.06522	3.7
121.10150	41.3
122.06091	1.9
123.08057	4.1
123.11714	24.2
125.09621	8.5
127.03922	100.0
129.10248	4.4
131.08586	7.3
133.06424	2.0
133.10136	25.8
135.08070	2.3
135.11696	33.4
136.07561	2.6
137.09639	3.7
137.13251	5.7
139.11183	8.8
140.14366	1.9
143.08658	2.0
144.09296	1.7
145.04967	40.1
145.10115	11.5
147.04329	1.8
147.11722	22.2
149.05971	1.9
149.09593	2.7
149.13258	20.8
151.11169	15.7
151.14842	2.1
153.12730	1.6
155.08514	2.1
159.11700	11.8
161.13277	11.6
163.06026	29.6
163.11221	1.5
163.14816	5.6
165.12787	5.1
167.14337	4.8
169.04942	1.7
169.12279	3.7
173.13295	14.2
175.14848	5.1
181.12224	1.6
183.13829	2.2
185.13330	1.6
187.06035	6.0
187.14795	12.0
191.14296	2.0
191.17894	1.8
201.16417	4.1
203.17976	12.6
205.07083	4.8
205.15944	3.0
231.21095	10.9
239.23772	1.5
243.21101	32.3
249.22112	15.3
251.77678	1.4
261.22150	48.7
271.08160	5.0
279.23181	46.0
287.05389	3.7
289.09171	2.5
297.24283	51.5
307.10156	7.7
319.22751	1.7
349.37668	1.4
369.24200	2.0
387.25125	5.2
398.99481	1.4
405.26611	4.1
531.29419	2.6
567.31769	2.0
603.27887	5.6
609.38873	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36164	2.9
51.73290	3.1
53.03940	9.1
55.01871	6.6
55.05518	13.6
56.05027	3.4
57.03432	6.3
61.02922	7.5
64.95461	2.5
67.05512	18.5
69.03441	23.0
69.07064	8.9
69.69939	7.3
69.70365	8.8
70.06591	21.0
71.04988	6.5
72.08143	7.9
73.02898	4.2
76.02229	4.1
79.05506	19.0
81.03419	28.2
81.07066	35.3
83.05000	3.8
84.04527	3.9
84.08161	20.2
85.02911	52.2
86.06087	3.4
86.09686	12.0
87.00848	17.6
91.03951	5.2
91.05476	21.3
93.07049	50.9
95.04953	5.4
95.08622	46.5
95.46615	3.5
97.02905	28.5
97.06555	7.7
97.10185	3.3
98.09676	4.8
99.04449	10.7
102.05614	2.4
103.03936	5.7
105.01859	13.0
105.07042	37.6
107.04963	3.3
107.08598	29.9
108.04507	3.3
109.02895	21.2
109.06532	6.5
109.10165	21.0
110.07192	4.0
111.08079	3.9
112.27737	2.8
115.03932	3.4
117.01826	3.7
117.07030	5.7
119.08581	41.6
120.08106	5.5
121.06504	9.4
121.10152	29.8
123.07985	6.2
123.11694	3.3
125.09592	3.8
127.03932	44.6
129.01831	3.9
129.06917	3.6
129.10229	7.2
131.08530	14.0
133.10129	19.3
135.08052	6.7
135.11684	12.2
136.07632	4.4
137.09645	7.2
139.11200	2.8
145.05016	16.1
145.10165	24.0
147.04411	3.3
147.11720	19.2
149.13258	5.1
150.09117	6.3
151.11165	3.2
153.01758	2.9
153.09064	4.3
157.10123	12.9
159.02901	8.5
159.11705	20.4
160.12192	2.9
161.13286	15.4
162.02219	3.3
163.11160	7.6
163.14766	4.0
165.12834	3.9
169.10141	2.9
171.11708	6.3
173.13223	8.7
175.11186	4.4
177.12781	3.0
179.04689	3.9
185.13275	4.8
187.14809	12.5
197.13266	2.9
199.14816	5.9
201.16409	8.7
205.15987	3.2
207.13864	4.6
213.16365	5.6
219.13844	4.3
225.16499	4.0
227.17963	9.4
231.05025	6.0
233.15442	5.6
241.19542	3.5
245.19011	8.3
255.17429	3.0
255.21092	10.3
263.11801	6.5
265.19476	3.3
273.22073	9.7
281.12845	3.0
283.20590	16.9
301.21640	100.0
318.10181	3.0
319.22638	6.5
465.16785	3.5
473.25012	3.2
505.21710	5.7
520.36615	3.1
602.27899	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	602.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66771	0.4
54.56200	0.4
56.96564	5.6
69.03432	0.6
70.06594	0.7
84.08114	0.7
84.96032	3.4
86.09672	0.6
87.12483	0.4
87.22028	0.5
98.97591	28.6
104.53756	0.5
108.87493	0.4
110.86515	0.4
110.97569	11.4
112.99149	2.3
116.98627	8.7
124.99126	1.2
127.00693	5.9
127.01588	0.6
128.98624	9.1
131.00156	2.1
134.99689	2.1
140.98610	1.1
143.00172	3.3
144.98125	1.0
145.01736	10.6
146.99640	2.7
147.04417	0.8
149.01192	0.8
155.00201	1.2
158.99663	10.2
161.01251	3.1
163.02806	7.1
165.00705	0.4
169.01758	1.8
170.99675	4.6
171.03287	1.1
173.01247	1.0
177.00720	6.5
179.02364	0.6
181.03714	0.5
182.99680	1.1
185.01239	0.6
185.46410	0.4
187.02806	5.2
189.00711	2.7
189.04340	1.0
191.02245	0.7
199.02832	0.8
201.00677	5.5
201.04471	0.7
203.02286	1.0
205.03841	2.8
211.02805	1.1
217.03889	0.6
219.01776	43.9
223.02803	4.0
223.04799	0.6
229.03815	3.2
237.02835	49.5
241.03766	2.9
242.03427	1.1
247.04945	1.6
255.03978	2.2
260.04489	1.4
271.04828	0.6
289.05951	16.5
307.07019	31.4
330.08646	1.1
338.07822	0.4
349.07846	0.6
352.05530	100.0
402.44772	0.4
421.94003	0.4
539.16449	2.6
583.62921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03141	0.9
53.03954	3.6
55.01880	4.7
55.05515	51.3
57.03440	9.6
57.07076	12.5
64.09686	1.0
65.03931	4.1
67.05510	27.7
67.75542	0.9
69.03431	2.3
69.07072	44.7
71.04985	4.1
71.08638	8.5
71.44537	1.8
73.21521	1.1
79.05495	30.1
81.07059	35.6
83.04987	5.0
83.08623	34.3
83.09129	1.7
85.06560	1.8
85.10194	3.6
87.04464	1.9
91.05486	58.9
92.45902	0.9
93.07047	26.2
95.04987	3.3
95.08611	26.1
97.06563	5.2
97.10175	23.3
99.08039	1.7
103.05477	3.9
103.78884	0.9
105.03423	1.5
105.04506	1.5
105.07038	41.9
107.04967	4.8
107.08604	14.7
109.06522	3.4
109.10163	5.8
111.08120	2.4
111.11742	5.9
115.05477	6.1
116.06224	4.0
117.07016	28.7
119.04922	1.5
119.07729	1.1
119.08579	20.1
121.06534	4.8
121.09321	1.5
121.10136	10.6
123.08089	3.5
123.11694	1.7
125.09632	4.9
125.13258	1.5
128.06226	20.3
129.07001	21.4
130.07790	8.6
131.08574	63.7
133.06494	5.3
133.08601	1.4
133.10135	12.8
135.08075	3.7
135.11707	6.0
137.09634	1.9
139.11180	2.4
141.06975	8.8
142.07793	5.7
143.08566	67.5
144.09354	1.2
145.06491	2.3
145.10130	63.4
147.08072	5.5
147.11696	4.2
149.09599	2.5
149.13248	1.8
153.07037	2.0
154.07787	1.7
155.06023	1.4
155.08562	6.9
156.09325	1.4
157.10143	17.5
159.08041	4.8
159.11694	13.2
161.09636	8.4
161.13213	1.1
163.11165	2.3
165.06944	2.5
166.07814	1.7
167.08559	1.9
168.09453	1.2
169.10168	12.2
171.07964	1.4
171.11681	12.7
173.09648	2.4
173.13269	2.1
175.11189	3.3
177.12769	2.3
179.08543	1.4
180.09390	2.2
181.10168	10.8
183.11703	9.4
185.13254	6.6
187.11201	2.3
190.90572	1.0
195.11702	15.5
197.13200	1.3
199.11180	1.5
201.12706	2.4
203.12759	1.6
209.13332	1.3
211.14806	2.3
213.12741	2.6
215.12730	1.4
219.20938	1.4
227.17969	6.0
237.16402	15.9
237.22150	4.5
241.14420	3.6
245.19052	5.0
255.17412	14.5
273.18506	42.6
277.27588	1.0
311.25815	100.0
319.22656	1.1
329.21115	8.3
347.17838	1.4
347.22144	23.6
347.26080	2.2
464.63074	1.1
495.36478	1.4
555.63159	1.2
565.42102	1.3
583.43585	37.5
601.44202	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	601.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82705	1.2
53.03934	5.9
53.13564	1.2
55.01868	2.4
55.05513	7.8
57.03433	3.1
59.05004	1.3
61.02922	3.8
63.86015	1.1
67.05508	11.4
68.05012	1.4
69.03438	22.2
69.07067	7.3
70.06594	12.1
70.27159	4.2
71.05007	7.2
71.06931	1.2
72.08140	3.7
73.02907	3.4
74.06078	1.5
79.05483	6.3
81.03413	18.2
81.07069	17.5
83.04975	5.0
83.08605	2.9
83.35953	1.2
84.04504	3.4
84.08140	7.5
85.02911	73.5
85.06553	7.4
86.06059	2.5
86.09705	9.6
87.04478	2.5
91.03971	1.9
91.05477	9.3
93.07054	15.7
95.04965	3.7
95.08609	30.8
95.09181	2.3
97.02900	22.0
97.06522	4.0
97.10149	7.2
97.70699	1.4
99.04465	44.7
99.08074	4.4
103.03949	93.3
104.98706	1.2
105.07035	16.7
107.04956	2.6
107.08613	17.0
109.02884	17.7
109.06537	3.5
109.10156	13.2
110.07151	3.9
111.08096	3.6
113.09657	15.5
115.03927	3.9
115.08692	2.2
117.07042	3.3
119.04986	1.5
119.08588	19.1
120.08118	4.9
120.10966	1.3
121.06493	3.4
121.10159	20.5
123.08048	2.4
123.11739	6.4
125.09655	3.7
127.03925	100.0
129.10251	3.1
131.08574	5.4
133.10150	13.4
135.08054	3.6
135.11699	5.1
136.07559	1.9
137.09628	5.7
139.11182	1.3
143.08545	1.5
145.04974	47.5
145.10104	12.7
147.08046	2.3
147.11700	9.0
149.09636	3.0
149.13245	4.5
150.10432	1.2
151.07599	2.2
151.11186	5.2
157.10075	3.5
159.08017	1.7
159.11685	11.0
161.09671	1.3
161.13283	5.1
163.06030	36.8
163.11200	5.3
167.10728	3.6
167.14264	1.3
169.12317	1.6
171.11688	4.6
173.13268	4.0
175.11179	1.7
175.14774	1.6
177.05490	3.5
177.09148	1.5
181.12239	3.2
185.13303	4.9
187.06099	8.6
189.16420	2.3
199.14848	1.9
201.16370	9.5
203.14360	1.8
204.06512	1.6
205.07114	5.1
207.13887	1.7
211.99165	1.6
219.17284	1.7
229.19460	2.5
241.19518	12.4
247.20654	2.0
259.20602	25.5
271.08157	4.7
277.21646	29.9
287.05246	1.5
289.09363	2.7
291.63144	1.2
295.22717	38.2
307.10278	5.8
310.76843	1.7
313.57025	1.3
317.21179	3.2
348.21695	1.5
385.23792	4.0
403.24677	3.6
445.25909	1.9
463.26749	5.0
482.36639	1.5
529.27075	1.6
547.28809	2.6
565.29462	3.0
592.28577	1.4
600.86346	2.0
601.32416	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	601.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91421	0.5
53.03944	1.0
55.01871	0.7
55.05494	1.2
55.20684	0.6
57.03417	1.3
61.02906	1.2
65.03941	0.8
67.05494	2.2
68.99775	1.8
69.03416	1.7
69.07050	1.2
69.86427	2.2
70.06577	2.8
72.08155	0.6
72.29222	0.6
72.36732	0.6
78.04688	0.7
79.05502	3.5
81.03403	0.7
81.07062	3.6
83.04942	0.7
83.08649	0.7
84.08119	1.9
85.02914	1.2
86.09690	1.6
91.05484	5.8
93.07038	3.8
95.04943	3.9
95.08592	2.1
97.02892	0.7
97.06524	0.9
103.05439	2.1
104.06227	0.7
105.07030	10.1
106.07302	0.8
107.04958	19.7
107.08568	2.4
109.06506	1.5
109.10169	1.4
110.03664	21.1
112.00095	0.7
115.05473	0.6
117.07027	1.3
119.04971	3.3
119.08559	3.1
120.05737	0.7
121.02890	1.1
121.06487	4.7
121.10121	3.1
123.03582	0.9
123.04428	13.9
123.08035	0.7
127.03906	0.8
127.38029	0.6
129.06949	0.8
130.04109	0.7
131.04922	4.3
131.08548	1.1
132.05687	2.0
133.02873	1.0
133.06502	8.1
134.07332	0.5
135.04413	27.0
135.05435	1.4
135.08087	0.7
135.11642	0.7
136.05124	1.0
137.02385	0.9
137.05956	1.5
145.06441	1.5
145.10107	2.6
147.04417	15.7
147.11650	0.9
148.05199	9.4
149.05980	13.2
149.09656	0.8
150.06779	0.9
151.07513	1.8
153.00607	0.8
153.01833	14.3
157.10156	1.0
159.04460	1.0
159.11664	1.8
161.02325	1.4
161.05981	2.5
163.03935	0.9
165.05475	8.2
165.09155	0.6
166.06262	7.8
167.10672	2.8
168.11026	0.9
173.05963	1.2
176.08321	1.5
185.05910	1.0
185.13458	0.7
195.11746	0.9
203.03336	0.9
208.07297	1.0
209.13208	0.6
213.05342	0.8
221.15303	1.0
227.06927	1.3
229.04907	4.2
233.15337	1.3
234.15749	0.7
237.05481	1.1
237.09087	2.7
241.04942	1.0
242.05600	1.0
242.09338	1.4
243.10074	1.3
245.04715	0.6
255.10211	3.8
257.04443	9.9
258.05234	13.0
265.04990	3.0
265.08517	1.4
267.09961	0.7
269.04468	1.1
279.10159	1.7
280.10895	6.1
281.11737	1.2
283.05933	0.7
285.03949	3.8
286.01569	0.8
286.04730	18.5
287.05499	100.0
293.04459	0.9
297.03946	5.7
297.11090	1.4
298.12024	3.8
299.05350	0.9
299.12753	1.7
311.05496	44.3
316.13101	2.2
323.05460	3.4
329.06549	1.6
335.25757	1.1
341.06543	9.2
353.10220	1.3
421.09100	1.2
433.09198	2.4
451.10278	20.2
489.11673	2.4
542.65765	0.7
553.15436	1.0
565.14880	2.9
583.16095	11.5
600.40344	1.5
601.17139	9.9
601.40918	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
55.05500	13.0
57.07082	15.7
67.05515	16.5
69.03416	11.7
69.07060	13.3
70.06573	5.1
71.08626	5.3
71.52708	4.9
79.05482	14.8
81.07047	23.4
83.04961	10.0
83.08609	4.4
85.06568	4.6
85.10191	5.7
89.06020	12.5
91.05488	32.4
93.07046	30.9
95.04984	6.3
95.08606	26.9
97.06514	6.9
105.07037	41.1
107.08588	23.3
109.06511	10.7
109.10164	13.5
117.07025	12.8
119.08585	57.7
121.06496	8.1
121.10172	24.0
123.08092	19.8
125.05971	8.0
128.06221	5.1
129.07033	8.3
130.07806	3.8
131.08592	26.7
132.09380	5.7
133.06514	6.8
133.08569	9.2
133.10117	24.5
135.08025	18.5
135.11716	11.4
137.09619	14.2
139.07549	3.9
141.06984	3.7
142.07770	11.0
143.08563	23.0
144.09355	5.0
145.10118	38.3
147.08043	29.6
147.11711	8.7
149.09624	8.5
151.07538	12.0
155.08507	9.5
156.09364	4.7
157.10115	33.7
158.10909	4.4
159.08069	5.0
159.11690	25.5
160.12372	3.8
161.09650	14.4
161.13210	6.8
163.11127	20.2
165.06981	5.2
165.09117	40.6
167.08566	7.1
169.10153	21.5
170.10927	5.1
171.11714	19.0
173.09659	8.9
173.13232	8.1
175.11208	23.4
177.09122	5.5
179.08548	4.2
181.10207	7.1
181.12245	23.5
182.10873	5.0
183.11687	15.1
184.12404	4.3
185.09607	4.5
185.13289	11.8
187.11203	5.6
187.14926	4.2
189.12750	8.7
190.13509	9.7
191.10573	7.5
193.10187	5.3
193.12251	15.4
194.10921	5.8
195.11761	7.0
197.13280	12.2
199.11232	6.7
199.14784	3.7
201.12737	8.9
203.14278	24.0
207.11853	7.2
207.13808	12.6
208.14629	13.2
209.13370	7.9
211.14763	10.4
213.12785	8.2
215.14191	4.5
219.13771	7.6
221.13425	6.6
221.15370	100.0
223.11333	4.9
223.14963	6.7
225.12787	5.4
229.16037	4.3
233.15404	5.5
234.16103	22.2
237.12749	3.7
238.13994	3.5
239.14319	5.1
241.91704	3.5
242.56013	3.6
247.16911	34.7
271.17017	3.6
274.19235	15.8
279.17456	4.6
283.26257	13.0
285.18622	4.5
286.19241	8.0
287.20218	9.0
299.20023	16.6
300.28925	5.3
307.20609	4.9
311.20148	5.6
312.20807	13.0
313.21622	7.4
325.21631	17.9
327.23032	3.8
337.21506	4.2
339.23145	6.1
340.23965	16.9
344.31366	5.2
352.24020	30.4
365.24780	7.2
377.24503	4.1
379.26379	7.1
387.25256	5.6
391.26538	4.5
413.26822	6.6
415.24997	6.2
419.29544	10.0
420.30182	6.3
425.26968	10.6
427.28488	19.7
440.29248	65.3
442.30460	6.2
508.35419	5.8
520.35541	50.8
585.39142	5.9
600.41699	40.9
600.55756	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63014	5.9
51.63378	4.7
57.07072	13.0
67.05502	25.3
69.03421	7.4
69.07092	11.2
71.86662	4.8
79.05483	16.0
81.07040	29.5
83.08627	5.5
85.06555	9.8
85.10117	6.3
89.06051	25.8
91.05488	35.0
93.07044	41.9
95.04961	16.7
95.08623	31.2
95.65560	5.5
97.06539	8.2
105.07031	61.0
107.08616	30.9
109.06514	18.4
109.10152	11.8
117.07021	14.9
119.08589	76.1
119.27706	6.1
119.45101	5.1
121.06481	10.0
121.10145	29.1
123.08068	14.5
125.05963	17.5
130.07813	5.5
131.08542	18.4
133.06441	5.3
133.08577	14.3
133.10141	31.0
135.08051	20.5
135.11691	10.7
137.09590	18.5
141.07040	5.6
142.07759	12.1
143.08588	25.4
145.10143	45.2
147.08049	26.5
149.09615	12.8
150.10612	5.8
151.07530	10.5
155.08565	12.1
157.10136	37.1
159.08028	7.1
159.11685	29.7
161.09669	11.0
161.13203	6.2
163.11172	33.6
165.09117	44.3
166.94978	5.1
169.10123	17.2
170.10925	9.3
171.11682	17.6
172.12444	6.2
173.09685	9.0
173.13268	11.4
175.11208	33.2
179.08548	8.4
181.10106	9.6
181.12259	25.2
183.11665	17.9
185.09573	8.2
185.13185	12.2
189.12761	11.2
190.13541	6.2
191.10672	7.8
193.10172	4.9
193.12231	14.1
195.11768	8.9
197.09541	5.9
197.13268	10.1
201.12732	12.1
203.14319	23.7
207.13741	10.8
208.14568	12.7
211.14894	10.8
213.12700	6.9
219.13753	11.2
221.13408	9.9
221.15366	100.0
223.14941	8.9
225.12715	6.9
234.16145	24.9
247.16995	43.1
251.14453	5.8
271.16821	5.9
274.19226	19.9
285.18552	5.4
287.20084	21.3
297.18604	6.0
299.20047	20.4
312.20831	15.4
313.21542	10.7
325.21588	28.5
339.23212	6.7
339.28720	7.2
340.24054	30.3
352.24020	45.9
365.24683	9.1
379.26413	7.6
387.25519	10.3
413.27097	8.8
418.97263	5.8
419.29297	12.7
425.26801	6.9
427.28650	26.2
440.29306	86.6
442.00540	6.5
520.35736	51.4
600.41321	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	600.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01860	1.7
55.05516	5.2
56.05033	1.3
57.03423	1.4
58.99589	16.0
59.04993	0.7
64.52470	0.7
65.03922	0.9
67.05509	7.8
69.03428	1.6
69.07073	8.5
69.69956	0.6
69.70701	3.7
70.06598	5.4
71.04974	0.8
72.08141	1.6
76.02230	77.0
76.03987	3.1
79.05494	9.0
80.05030	1.0
81.03407	1.9
81.07060	12.6
83.04981	3.6
83.06102	2.0
83.08620	3.4
84.04052	1.1
84.04508	15.0
84.08149	2.7
85.02904	2.4
85.06544	1.4
86.09682	2.1
86.99061	3.9
87.13471	0.7
88.02219	1.9
91.05479	10.1
93.07038	10.3
95.04948	3.1
95.08607	7.9
97.01117	0.6
97.02879	1.5
97.06522	2.2
97.10172	4.3
98.09694	1.0
99.04461	1.0
105.07036	11.2
107.04942	3.3
107.08589	8.3
109.02874	0.6
109.06550	4.3
109.10146	3.3
111.08102	1.5
114.03731	1.5
116.01681	23.4
117.06995	3.0
119.05019	0.8
119.08590	9.0
120.08094	1.1
121.06503	5.0
121.10134	4.5
122.09752	0.6
123.08075	2.2
123.11711	1.3
125.08719	0.6
125.09643	2.8
127.03953	1.6
129.06763	2.2
130.05031	7.3
131.08582	7.7
133.06502	1.4
133.10138	7.2
135.08011	1.6
135.11673	2.8
137.09592	1.3
139.32208	0.6
141.04822	0.8
142.03209	7.8
143.08546	1.5
144.01147	12.5
145.06404	1.4
145.10117	5.0
147.04367	0.8
147.08061	2.2
147.11681	4.5
149.09663	3.5
149.13219	1.3
151.11201	2.2
153.06558	0.8
155.17686	0.7
157.10150	1.2
159.08034	1.9
159.11732	4.1
161.09619	1.2
161.13242	1.6
162.02205	43.0
163.11169	2.2
165.12679	0.7
167.10672	0.8
169.10175	0.8
170.02695	2.7
171.11661	1.7
173.09740	1.2
173.13278	2.4
175.11145	1.4
177.12691	0.9
179.04857	100.0
179.14169	0.8
183.11687	0.8
187.05405	3.3
187.11128	0.7
189.11212	1.7
189.12755	0.8
191.14314	1.6
197.13344	1.2
199.14767	0.7
201.12755	1.5
207.13803	2.8
215.04877	2.5
215.17957	0.9
219.13687	0.9
227.04985	0.7
233.05923	11.6
239.17918	1.0
245.05984	3.2
247.20551	1.2
257.18961	2.9
273.18527	3.5
275.20065	30.8
290.08173	1.1
291.06418	2.1
291.19437	1.8
293.21127	18.4
300.94211	0.8
308.09116	34.6
333.18732	0.8
351.19672	0.8
368.22583	11.1
453.24255	5.4
471.25162	6.9
507.25711	0.7
525.13745	0.8
525.26465	3.8
582.28857	1.5
600.29510	13.0
628.94690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95998	1.0
53.03936	3.2
53.59197	0.9
55.01867	5.0
55.05505	4.3
57.03428	1.9
67.05504	7.0
69.03430	9.6
69.07063	7.7
70.06583	4.9
70.47256	2.0
71.04989	6.7
71.77436	0.8
79.05495	9.9
79.16418	1.0
81.03420	26.5
81.07059	21.8
83.04982	4.3
84.08147	2.4
85.02888	4.0
85.06547	6.5
86.09695	2.6
91.05483	8.1
93.06483	2.0
93.07051	32.0
94.66756	0.9
95.04964	3.9
95.08611	4.7
97.02892	4.3
97.06537	8.3
99.04462	15.0
105.07044	28.5
107.04987	1.0
107.08598	42.9
108.04506	1.0
108.92538	0.9
109.02139	1.7
109.02882	32.9
109.06518	9.0
109.10185	1.4
110.89503	0.9
111.04435	1.8
111.08086	4.1
111.11757	1.4
113.06030	5.6
117.03391	1.6
117.07024	3.0
119.08586	12.5
120.57230	1.1
121.06519	18.3
121.10148	41.0
123.08074	4.1
125.05977	1.3
127.03925	31.3
127.07599	2.2
129.10216	1.7
130.07794	2.1
131.08575	4.1
133.10098	1.0
135.08084	8.2
135.11693	10.4
137.09581	1.1
139.07561	2.4
139.11200	2.8
145.02890	4.8
145.10132	34.4
147.08063	1.8
147.11700	4.0
149.05968	2.7
149.09613	15.7
151.07550	3.5
153.09122	1.0
161.09637	2.0
163.11186	92.4
165.09103	1.0
167.10687	23.2
169.08604	21.8
169.09947	1.9
173.09621	8.4
177.05478	14.5
181.12238	18.5
185.11687	6.7
189.09169	1.5
191.10675	59.1
209.11742	54.9
227.12784	100.0
230.16606	1.2
239.42674	0.9
243.13858	1.5
245.13870	2.5
269.13837	18.3
271.13354	3.7
289.14343	6.3
293.13702	1.6
299.12653	4.3
303.89713	1.0
311.14749	1.0
317.13889	7.4
335.14951	12.4
335.55075	1.0
353.15970	54.1
371.17020	33.6
389.18344	4.5
548.73474	1.0
554.09094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4099
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
51.67032	1.4
53.03933	1.9
54.47761	1.4
54.58542	1.4
55.01867	2.2
55.05513	10.5
57.07087	7.6
59.05019	2.2
60.53653	1.9
65.03951	3.1
67.05508	13.6
68.05861	2.1
69.03423	6.9
69.07073	13.9
69.25206	15.2
73.36584	1.3
79.05495	18.7
81.07059	29.3
82.07396	2.2
83.04990	4.4
83.08627	5.8
85.06538	4.1
88.88340	1.8
91.05486	21.9
93.07053	38.9
94.07408	1.6
95.04984	13.1
95.08621	19.7
97.06543	4.9
101.59906	1.4
103.05500	1.9
103.57738	1.7
105.07044	35.7
107.08604	29.5
109.06529	6.4
109.10157	14.5
111.08105	1.8
111.48335	1.5
113.09649	1.5
115.05521	2.9
117.07038	8.2
119.08585	33.2
119.61232	1.5
120.15958	1.6
121.06522	8.4
121.10155	51.4
123.08078	12.9
123.11709	7.8
125.06094	1.5
125.09620	3.9
127.03941	2.7
128.06248	4.8
129.06984	8.2
130.07834	4.0
131.08577	19.2
133.06511	4.1
133.07516	1.5
133.10139	25.7
135.08069	7.5
135.11687	14.8
137.09644	5.4
139.11130	3.1
141.07005	3.6
142.07790	7.1
143.08595	16.9
144.09351	3.5
145.10123	19.9
147.08064	11.9
147.11652	9.1
149.09639	14.6
151.07568	13.4
151.11095	1.9
155.08595	7.6
155.10666	1.7
156.09392	6.1
157.10147	22.0
159.08133	6.8
159.11693	16.6
161.09647	5.3
161.13280	5.1
163.11224	5.9
165.09129	11.0
167.08540	4.2
167.10687	65.3
167.12106	3.4
168.09389	1.9
169.10164	11.6
170.10930	3.6
171.08049	2.0
171.11693	15.2
173.09639	7.0
173.13179	10.5
175.11252	4.3
175.14856	6.9
179.08589	6.4
180.09309	2.8
181.10170	6.6
181.12268	5.6
182.10970	5.7
183.11690	11.2
185.09637	3.0
185.13252	8.3
187.11237	3.4
187.14812	5.6
189.12737	9.1
191.08614	2.9
191.14311	3.4
193.10172	5.3
194.10902	3.5
195.11707	10.6
196.12627	2.6
197.13237	8.7
198.14084	1.9
199.11073	1.8
199.14799	4.5
200.03581	1.5
201.12752	2.8
201.16454	4.0
203.14374	6.6
206.10963	4.3
207.11786	8.0
207.13855	6.9
208.12495	3.2
209.09711	1.7
209.13316	11.0
209.15250	3.3
211.11292	2.7
211.14888	5.5
213.12732	3.0
213.16405	3.7
215.14354	6.5
217.15985	1.9
218.17261	2.0
219.11726	3.2
220.12450	2.7
221.13284	4.8
221.15340	22.6
223.14885	4.9
225.12862	1.8
225.16431	4.1
229.16127	2.1
231.11690	3.1
233.13263	3.7
233.15370	38.0
234.14084	2.0
235.14874	5.1
235.17159	1.9
237.16417	4.4
239.17902	2.6
245.13318	3.9
245.22818	1.6
246.14204	2.4
247.14732	2.5
249.16405	2.9
261.16531	2.9
263.18094	2.9
263.23715	2.4
264.24277	3.4
265.16196	2.0
269.18964	1.7
271.20535	2.7
273.16141	2.9
273.18787	2.4
275.17908	2.3
299.20193	3.4
311.20370	3.4
313.21530	1.8
338.28046	2.8
365.24713	5.2
377.24844	4.2
391.26431	4.4
393.24344	4.7
396.69931	1.8
417.27954	2.0
507.34213	2.1
525.33899	1.9
563.39178	3.4
571.41779	2.4
581.39825	22.1
599.40967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4096
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
51.89910	1.3
53.03948	3.0
55.05521	9.3
57.07072	6.1
59.04990	2.6
65.03938	1.9
67.05510	16.9
69.03420	7.8
69.07072	14.7
79.05496	15.6
81.07058	28.6
83.04988	5.9
83.08628	6.3
85.06546	4.2
91.05484	22.9
93.07049	38.5
95.04980	11.3
95.08053	2.3
95.08611	23.6
97.06537	4.7
97.10137	1.9
103.05458	2.8
105.04523	1.5
105.07040	37.8
107.08604	29.9
109.06532	7.5
109.10170	11.3
110.24984	1.5
111.08079	2.6
111.11723	2.6
113.09666	1.6
115.05473	3.0
115.57158	1.6
117.07047	7.2
119.06080	1.3
119.07807	3.0
119.08591	34.9
121.06506	5.9
121.10152	59.4
122.07348	1.9
123.08064	17.9
123.11733	6.2
125.06004	1.6
125.09664	5.5
128.06226	5.2
129.07019	6.1
130.07782	2.6
131.08585	16.4
133.10139	26.4
135.08095	10.5
135.11708	9.3
137.09668	4.2
139.11223	4.2
141.07034	2.3
142.07782	6.5
143.08562	19.9
144.09312	2.9
145.10130	25.5
147.08086	11.8
147.11664	7.9
149.09615	17.1
149.13261	2.2
151.07559	14.6
155.08592	6.2
155.10651	2.3
156.09348	7.2
157.10136	21.7
158.10907	3.0
159.08084	8.2
159.11690	11.4
161.09647	8.3
161.13278	5.6
163.11198	4.3
165.07024	3.6
165.09093	12.3
167.08533	4.6
167.10692	81.4
168.09415	2.8
169.10127	12.3
170.10919	3.9
171.08096	2.9
171.11687	16.2
172.08907	2.9
173.09647	5.3
173.13261	10.3
175.11246	3.4
175.14876	4.0
179.08594	4.4
180.09412	2.4
181.10136	5.1
181.12268	4.5
182.10931	5.8
183.11710	10.5
185.09631	3.7
185.13254	7.7
187.11214	4.9
187.14856	6.5
189.12724	8.1
191.14342	6.6
193.10147	5.2
194.10957	5.4
195.11737	10.0
195.13562	2.0
196.12518	2.3
197.09676	1.8
197.13324	10.2
199.11156	1.8
199.14856	5.4
201.12813	3.1
201.16377	3.9
203.14372	6.5
205.15817	2.7
206.10889	1.8
207.11760	7.8
207.13892	4.2
208.12460	3.0
209.13286	9.0
209.15378	3.9
210.10530	1.7
211.11305	2.3
211.14828	7.6
212.11964	1.6
213.12749	4.4
213.16411	3.0
215.14363	6.7
217.15999	2.1
219.11748	1.8
219.17555	1.8
220.12531	3.1
221.13290	8.0
221.15436	22.6
223.11342	2.6
223.14886	5.8
225.12834	4.2
225.16377	1.6
227.14519	2.1
229.15915	2.0
231.11781	2.8
231.17404	1.6
232.12431	3.2
233.13252	3.8
233.15364	42.4
234.13910	2.0
235.11174	2.1
235.14890	2.6
237.12767	2.0
237.16516	3.6
239.14471	2.0
239.18034	2.1
241.19649	1.7
245.13292	4.1
246.13971	1.9
247.14763	3.7
247.17017	3.6
249.12796	1.7
249.16502	4.6
251.18027	1.9
259.14841	3.4
259.20752	2.1
261.16443	2.0
263.14529	2.1
263.17969	2.0
265.16028	1.4
265.19574	2.7
273.18716	3.2
275.18039	2.3
277.16159	1.5
277.19492	2.6
281.19043	1.8
283.20490	2.4
285.16107	2.0
287.20279	2.2
293.19006	1.8
295.20502	1.8
297.18787	2.0
299.20157	6.8
323.20065	2.0
333.22235	2.6
351.23111	2.0
359.23828	2.5
361.85629	1.5
365.24857	3.2
373.25449	1.9
374.22781	1.7
377.24857	3.4
391.26398	5.1
431.29489	2.0
464.30618	2.3
563.38745	3.4
571.41125	3.5
581.39935	22.4
599.40967	100.0
600.41254	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87451	1.0
55.05514	3.8
57.07081	34.2
67.05511	2.4
69.07064	6.0
71.08639	36.5
73.06566	8.9
75.04211	1.1
79.05508	1.6
80.48945	1.0
81.07060	3.7
81.36217	1.0
83.08622	5.7
85.10189	18.8
87.04501	5.2
89.06039	100.0
91.05451	1.7
93.07048	2.5
95.08629	2.3
97.10175	6.2
99.11745	2.6
107.07117	2.0
111.11736	2.0
113.13295	2.1
117.09113	6.0
119.08577	1.9
121.10163	1.1
125.13293	3.1
127.14803	1.4
130.08653	4.5
130.33954	1.4
133.08612	57.1
141.16399	1.8
155.17944	1.7
161.11748	1.6
168.22829	1.1
175.09636	1.2
177.11244	24.4
206.46176	1.1
211.24246	3.2
221.13840	5.6
239.14812	2.0
255.26964	3.0
283.17496	3.4
299.29449	9.9
309.19302	1.4
327.20242	3.0
337.27441	1.3
343.32184	4.7
371.22833	10.8
493.41214	1.6
537.43866	1.3
538.99329	1.2
581.46332	17.7
598.39459	1.6
598.48663	4.5
598.61377	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	599.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
53.51601	0.6
55.01873	5.9
55.05502	1.0
55.54899	0.7
56.05024	1.6
57.03435	2.6
58.06591	0.9
60.04551	0.9
60.05634	1.0
61.02905	0.8
65.03931	1.3
68.05029	2.9
68.99792	10.2
69.03421	2.3
69.07071	1.0
69.76867	1.3
69.77277	3.1
70.06594	15.1
71.01353	1.9
71.06895	1.1
72.08152	5.4
73.02898	1.7
74.06069	1.4
77.74028	0.8
79.05486	1.0
81.03414	6.7
83.04961	1.5
83.06082	0.8
84.04499	3.3
84.08146	12.2
85.02900	8.9
85.07662	1.0
86.06052	4.2
86.09698	4.1
87.04459	1.0
87.05566	0.9
87.49751	0.7
91.05482	3.2
93.03404	2.0
94.06564	0.9
95.04987	1.8
96.04498	0.9
96.08137	1.0
97.02891	6.3
98.06033	1.4
98.09692	3.2
98.20866	1.2
101.07116	1.0
102.05540	0.9
103.03973	0.7
103.05449	0.8
107.04984	5.4
109.02892	2.9
110.07159	4.6
110.09658	0.8
111.04463	4.1
112.08704	1.4
115.03932	2.0
119.04930	2.8
120.08125	1.4
121.02887	7.6
121.06519	1.8
123.04446	2.6
127.03934	2.6
129.10246	5.0
130.04996	0.8
130.08591	0.9
131.04910	1.6
133.04993	1.7
133.06500	1.7
134.54147	0.8
135.04413	7.7
135.09161	0.9
136.07576	2.7
137.02348	100.0
138.06606	1.0
139.03943	4.1
145.02733	0.8
145.06477	2.3
147.04416	7.4
147.07860	0.8
149.06041	1.2
151.03905	3.4
153.01799	1.9
155.08234	0.9
157.06427	1.6
159.04422	3.2
161.02429	1.2
161.05994	3.4
163.03877	5.1
165.01825	6.2
165.05475	1.4
171.04425	1.1
173.02309	1.3
173.05959	3.6
175.00323	0.8
175.03929	4.8
177.01857	5.3
177.05443	3.3
179.03389	14.4
181.04967	1.3
183.02922	2.1
183.07845	0.7
185.05974	1.1
186.31053	0.8
187.03874	4.4
187.10928	1.0
189.01778	4.4
189.05441	3.9
191.03477	4.2
193.04942	2.1
195.02887	7.0
197.04408	1.7
199.03891	1.1
201.01846	2.2
201.05417	4.7
203.03392	5.0
203.10147	0.8
205.04941	8.3
207.02945	8.0
213.05479	2.4
215.03418	3.9
215.07050	1.2
217.04959	9.7
219.02885	8.0
221.04532	1.8
225.03944	2.7
227.03392	1.2
229.04955	8.6
231.02896	14.9
231.06462	1.8
233.04457	4.0
235.06061	3.1
237.03920	2.1
241.05052	3.5
243.02916	8.1
243.06480	1.9
245.04553	2.5
247.06030	6.7
249.03897	8.8
253.04961	1.1
255.02875	2.0
255.06703	0.8
257.04440	3.6
259.06113	4.9
261.03934	18.3
261.06451	1.5
265.07043	1.9
269.04480	2.9
271.05984	7.1
273.03918	7.9
277.03415	0.8
277.06891	1.1
279.04919	3.8
281.06931	1.3
283.05981	2.6
285.03915	8.2
287.05484	1.2
289.07031	1.8
291.05008	9.9
297.04025	2.2
299.05545	1.9
299.54749	0.8
301.07101	3.3
303.05069	2.3
307.08212	0.9
309.06113	8.5
310.04700	1.4
311.05447	6.7
313.07047	2.9
315.04993	7.6
319.08151	1.2
321.06235	1.0
323.05380	4.1
324.03247	0.9
325.07031	1.1
327.04669	3.9
329.06683	1.5
331.08212	2.3
333.05991	8.6
337.07037	1.4
339.07227	2.7
341.06491	4.0
345.05988	6.1
349.09097	3.3
353.06436	3.9
357.06171	2.7
359.19751	1.0
363.07205	8.8
365.06412	6.1
371.07623	2.2
375.07040	8.2
377.06537	2.5
379.07990	0.8
381.08920	1.1
383.07721	2.5
393.08151	17.1
395.07626	8.9
407.07660	5.5
411.09192	18.1
413.08682	4.4
419.07809	1.2
425.08557	9.4
429.09906	3.3
431.09662	4.4
437.08908	2.7
443.09793	12.3
447.11401	1.2
449.08621	6.0
455.09457	1.2
461.10843	8.9
467.09775	2.3
473.10849	6.2
479.09634	4.6
485.10797	3.5
491.10815	2.8
497.10916	10.0
509.10776	5.0
515.12073	2.5
527.11768	11.7
545.13007	7.6
563.14032	4.6
581.14331	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.05511	17.6
56.13472	1.2
57.03436	5.6
57.07077	3.4
65.03938	2.7
67.05506	70.6
68.50999	1.1
69.07069	18.3
71.04992	18.1
71.08645	2.6
79.05488	20.0
81.03440	1.6
81.07056	99.3
83.04994	3.3
83.08614	12.2
85.06553	6.3
89.06044	1.3
91.05479	17.6
93.07045	19.5
95.05002	2.0
95.08607	31.6
97.06535	5.5
97.10178	3.7
98.21582	2.0
99.08092	1.4
105.07048	11.0
107.08594	13.6
109.06488	1.7
109.10159	13.5
109.18558	1.1
111.08045	2.6
117.07018	2.9
119.08592	5.5
119.52837	1.1
121.10127	8.3
123.11707	15.1
131.08591	2.5
133.10144	14.3
135.08015	1.4
135.11699	3.5
137.13222	1.6
147.11697	3.3
149.13245	3.5
151.11177	4.3
159.11699	2.6
161.13301	2.3
169.12213	2.1
183.13809	1.7
187.13336	3.5
229.52670	1.5
267.15945	1.7
269.17575	4.0
301.20087	17.5
337.27359	34.1
505.38904	100.0
506.39154	2.2
519.40527	2.9
531.40442	7.6
563.43091	54.7
598.62561	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	598.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55886	3.9
52.52380	4.6
55.01868	6.7
55.05509	26.4
57.03423	12.2
57.07076	7.3
65.21940	4.8
67.05182	7.9
67.05511	92.8
69.07080	29.3
70.18639	10.7
70.19051	8.7
78.86379	4.1
79.05492	43.5
81.03423	11.6
81.07060	79.5
83.04987	25.5
83.08606	10.0
85.06521	6.0
89.06039	5.8
91.05492	33.9
93.07055	49.4
95.04965	15.6
95.08609	52.3
97.06536	14.6
97.10160	6.6
98.21376	4.1
105.07015	16.6
107.04974	26.1
107.08582	26.9
109.10178	21.7
109.34024	3.8
111.04450	33.3
111.08099	12.0
111.22372	4.1
117.06992	10.2
119.08588	21.8
120.13242	3.7
121.06499	7.5
121.10146	41.0
123.04484	5.2
123.11695	4.2
125.06000	4.3
129.07028	6.1
131.08588	13.0
133.10144	11.1
134.09682	6.3
135.08153	5.0
135.11674	29.9
145.10110	39.7
147.11624	7.0
149.09642	5.9
153.12787	13.1
155.08551	6.0
157.10083	5.1
159.11526	5.5
160.11212	15.1
163.11188	46.8
173.09615	21.1
178.12300	11.9
181.12265	20.2
189.50847	4.4
191.10677	21.8
209.11703	14.4
219.12697	4.0
227.12830	18.1
233.71416	4.4
258.08984	11.2
263.23700	6.4
265.14316	58.3
283.15430	100.0
293.76743	4.9
301.16483	80.5
316.17227	4.3
337.27414	70.4
517.38995	6.0
527.37256	8.8
545.38342	37.9
563.39423	35.5
587.91614	5.2
598.39429	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01875	4.4
55.05513	15.3
57.03429	7.3
57.07066	4.0
57.66528	1.7
65.03938	2.0
67.05187	3.6
67.05510	52.7
69.07073	14.6
69.21490	18.3
71.04987	5.8
71.08618	7.4
79.05492	40.3
81.03420	4.5
81.07056	65.1
83.05000	10.0
83.08624	12.5
84.04510	4.7
85.06525	4.1
89.51983	2.0
91.05490	27.5
93.07051	49.5
95.04971	11.1
95.08609	23.2
97.06540	12.1
97.10163	3.2
99.08080	7.4
102.35042	2.0
105.07055	13.4
107.08604	27.1
109.06490	2.7
109.10159	9.1
111.08073	5.0
117.07037	9.2
119.08593	7.3
121.06470	3.7
121.10143	13.4
123.08055	2.6
123.11694	3.2
125.09615	3.3
129.07014	2.5
131.08554	9.4
133.08601	3.0
133.10138	13.1
135.11705	9.1
145.10139	5.2
147.11694	5.0
149.13261	16.2
151.11185	11.8
157.10136	3.1
159.11708	10.5
161.13289	2.4
163.11253	4.2
169.10120	2.3
171.11702	2.1
177.12741	7.3
179.14284	3.2
195.13792	11.1
227.12755	5.4
237.19382	2.0
241.19594	2.6
251.16330	3.3
269.17490	48.5
274.23242	2.1
277.21686	7.5
351.25421	13.5
367.24634	4.0
447.31400	2.2
463.30582	100.0
545.38562	10.7
548.99811	2.1
563.39294	2.7
598.39746	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	598.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
56.05035	1.0
57.03424	0.6
59.99371	0.2
61.00913	0.2
61.02920	0.7
62.84698	0.2
65.03933	1.0
67.05510	1.4
68.31367	0.2
69.03435	1.8
69.96837	0.9
70.06596	0.3
71.04998	0.6
73.02926	0.5
74.11414	0.2
81.03413	0.6
83.04980	1.1
84.08148	16.7
85.02908	7.6
91.03957	0.5
91.05483	7.9
97.02890	2.5
99.04465	0.5
107.04974	1.1
109.02876	0.9
109.10138	0.3
111.04426	0.7
115.03918	0.5
119.04945	21.1
126.12799	13.0
127.03897	1.5
128.46449	0.2
129.05476	0.7
129.96207	0.2
133.04976	0.5
144.13841	28.0
145.04977	1.6
147.04413	100.0
148.04715	0.4
149.03871	0.2
166.78815	0.2
201.05444	1.2
213.08818	0.2
217.04863	0.3
275.09146	4.7
283.31754	0.2
290.17523	2.8
293.10269	0.3
309.10101	0.3
361.60464	0.3
401.63824	0.2
436.23413	1.9
445.75760	0.2
598.28589	57.9
599.29034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30539	4.4
51.53478	4.5
53.03933	5.1
55.01872	7.0
55.05518	30.4
57.03431	15.5
57.07067	5.9
62.70644	4.9
67.05510	91.4
69.07069	29.5
71.08620	8.0
79.05498	45.1
81.07060	85.5
83.04965	5.7
83.08604	20.2
91.05471	35.7
93.07049	67.8
95.04963	10.3
95.08607	60.6
97.06540	9.2
97.10169	6.7
97.94476	5.1
98.20774	15.7
105.07022	23.9
107.04968	14.6
107.08598	35.5
109.06533	6.7
109.10139	15.6
114.11282	6.4
117.07011	10.5
119.08589	21.5
121.10103	25.1
123.08076	5.2
123.11720	8.5
131.08554	20.4
133.10141	18.9
135.11717	31.8
145.10136	23.2
147.11719	7.7
149.13295	11.6
159.11755	8.6
163.11180	41.2
173.09624	9.4
182.57689	5.4
191.10710	10.5
209.11687	13.0
221.15627	5.9
227.12730	35.1
229.48831	5.8
265.14252	11.7
269.17657	9.2
283.15424	43.1
301.16458	23.2
335.26007	7.0
337.27328	100.0
368.24103	5.3
463.30536	21.5
529.38440	10.8
545.38257	50.7
563.39325	20.8
598.39423	10.6
598.62726	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	598.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92450	0.2
55.01876	0.4
55.05500	0.3
56.05016	0.8
57.03430	0.7
61.02923	0.7
61.90362	0.3
65.03931	1.2
65.72308	0.3
67.05492	1.2
69.03432	1.8
70.53760	0.8
71.04963	0.8
73.02906	0.6
74.02333	0.3
74.77007	0.3
81.03396	0.6
83.04970	1.2
84.08147	17.5
85.02908	8.0
91.05483	9.1
97.02896	1.9
98.09662	0.6
99.04468	0.4
107.04959	1.2
109.02831	0.4
109.10146	0.3
111.04446	1.0
119.04948	22.8
126.12798	13.1
127.03937	1.7
129.05493	0.7
132.88200	0.3
135.47362	0.3
144.13843	30.8
145.04980	1.4
147.04414	100.0
148.04721	0.4
165.05505	0.4
175.54655	0.3
190.68974	0.3
201.05482	0.7
275.09134	5.9
275.11963	0.2
290.17548	3.9
309.09824	0.3
373.19952	0.3
427.38312	0.3
436.23312	2.4
513.67517	0.3
598.28595	56.4
599.28613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96348	0.1
52.51038	0.1
53.03942	0.2
55.01862	0.4
55.05507	0.6
56.05037	1.9
57.03435	0.9
58.06616	0.1
61.02924	0.9
63.94775	0.1
65.03936	1.1
67.05176	0.2
67.05502	1.9
69.03428	2.4
69.07028	0.1
70.06584	0.6
71.01360	0.1
71.04992	0.7
73.02901	0.6
74.91393	0.1
81.03418	1.0
81.07053	0.3
81.28278	0.1
83.04987	1.0
84.08143	34.6
85.02905	8.9
87.04481	0.4
89.03887	0.1
91.03941	0.3
91.05479	7.5
91.18782	0.1
95.04969	0.1
96.08131	0.2
97.02888	2.4
97.08916	0.4
98.09685	1.2
99.04476	0.7
107.04961	1.0
109.02880	1.0
109.10123	0.5
111.04462	0.9
115.03944	0.3
119.04941	19.9
124.11240	0.2
125.02319	0.2
126.12791	17.3
127.03901	1.6
129.05467	0.9
133.04973	0.6
144.13835	7.8
145.04955	1.7
147.04407	100.0
148.04758	0.3
161.58900	0.1
163.06104	0.1
165.05502	0.2
179.05533	0.1
187.07474	0.2
201.05449	0.8
215.07115	0.2
217.04984	0.3
275.09137	6.1
290.17505	2.7
291.08392	0.1
293.10135	0.5
309.09766	0.3
398.25592	0.1
419.49036	0.1
436.23383	0.1
455.15195	0.1
487.91635	0.1
514.00592	0.1
598.28558	46.2
599.28625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03397	0.4
69.57138	0.6
69.57552	1.4
74.02438	0.6
79.67258	0.4
84.08126	0.6
85.02884	0.5
91.05483	1.0
97.02869	0.4
115.05470	1.0
117.05778	0.4
117.07000	1.1
118.06543	15.0
122.79636	0.3
130.06529	1.1
132.08096	4.9
136.07549	0.3
142.06520	2.3
143.07301	1.7
144.08090	12.5
146.06009	58.7
147.04413	0.7
159.09175	5.8
160.07567	0.9
164.07076	0.5
170.06007	4.1
180.86681	0.3
188.07066	100.0
189.07431	0.6
192.71283	0.3
205.09723	50.0
219.01730	0.4
237.02908	0.5
261.25635	0.3
282.34381	0.3
338.31393	0.3
352.90732	0.3
405.77408	0.3
412.55780	0.3
593.41034	0.4
598.14581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3037
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03929	1.0
55.01880	0.8
55.05517	12.1
57.03443	5.6
57.07073	2.3
65.03952	1.1
67.05509	29.9
69.03431	1.1
69.07072	16.1
71.04987	1.0
71.08617	0.6
71.52096	0.7
74.43093	0.5
79.05495	10.0
81.03419	3.5
81.07060	30.4
81.24966	0.5
83.04974	1.2
83.08627	7.3
85.02901	1.3
85.06525	1.0
91.05479	6.9
93.07049	10.3
95.04968	1.0
95.08610	22.1
97.02853	0.5
97.06527	2.1
97.10174	3.9
98.97874	0.7
98.98473	9.0
99.08063	0.6
105.07033	7.6
107.08591	6.9
109.02892	2.9
109.06480	0.8
109.10162	7.5
111.08070	1.3
111.11757	0.7
117.07001	0.9
119.08593	5.3
121.06509	0.7
121.10143	5.1
123.08086	1.3
123.11723	3.0
125.09613	0.9
131.08556	1.6
133.10156	4.8
135.08020	0.8
135.11655	1.8
137.09587	0.8
137.13246	0.9
139.11171	0.6
142.07735	0.5
143.08542	0.8
145.10144	1.2
147.08031	0.7
147.11699	2.0
149.09627	1.1
149.13257	0.8
151.07532	0.5
151.14853	0.8
155.01027	1.8
157.10187	1.2
159.11719	1.1
161.09644	0.9
161.13246	1.2
163.14682	0.6
165.12660	0.6
166.41939	0.5
167.10689	1.9
171.11725	0.9
173.13214	0.9
175.14838	1.6
183.11714	0.7
187.14803	0.8
189.12781	0.5
191.14481	0.5
195.11627	0.6
199.14894	0.7
207.11549	0.6
209.13268	0.6
221.15404	0.7
233.15344	1.3
245.22748	0.6
261.03757	2.7
263.23669	1.4
335.07379	1.1
337.27380	100.0
561.36804	0.6
579.38550	1.4
597.39185	5.5
602.86505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04015	1.2
53.03942	2.5
55.05516	11.2
57.03432	4.8
57.07066	2.5
60.05636	1.6
65.03941	3.0
67.05509	55.9
68.74820	1.3
69.07063	8.6
71.04994	16.7
71.08583	1.3
79.05072	2.1
79.05501	29.0
81.07060	75.4
83.04985	3.3
83.08617	5.4
85.06553	4.9
86.38841	1.4
91.04974	1.9
91.05489	20.1
93.07057	31.8
95.05013	2.5
95.08614	25.4
97.06531	2.3
97.10184	2.4
98.20770	3.6
105.07024	14.7
107.08607	16.7
108.39533	1.2
109.10155	9.5
109.52267	1.2
111.08035	1.6
117.07030	4.1
119.08611	4.2
121.10168	13.6
123.11712	9.3
131.08582	7.4
133.10139	12.4
135.11699	5.7
145.10098	4.1
147.11690	3.9
149.13257	4.5
151.11208	5.3
159.11713	5.2
161.13203	2.1
175.14783	1.9
177.12798	1.7
187.13298	3.5
187.14839	1.4
195.13866	1.6
218.65932	1.3
227.16396	2.2
257.17508	2.1
261.22000	2.1
269.17450	4.7
301.20120	16.6
335.25797	38.9
336.26071	1.8
468.10706	1.4
503.37357	100.0
517.38794	4.1
529.38879	6.3
561.41577	55.6
596.37976	1.7
596.59344	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	597.1821
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
52.76342	1.9
55.01875	6.5
55.05519	4.0
56.05043	8.1
57.03430	7.3
58.06603	2.5
60.04528	6.4
61.02928	4.4
65.03944	5.9
67.05518	5.7
67.41297	2.1
68.05035	6.4
69.03430	8.6
69.07037	2.5
70.02954	3.2
70.06597	80.5
70.73574	4.2
70.73873	2.4
71.04993	4.2
72.08161	21.4
73.02927	5.2
74.06075	7.4
79.05502	3.3
81.03426	8.1
82.06593	2.8
83.05000	3.3
83.06072	4.1
84.04504	22.0
84.08150	63.7
84.08631	4.3
85.02913	34.1
85.08475	5.3
86.06075	9.7
86.09711	28.9
87.05557	2.5
88.04036	3.2
91.05491	9.3
93.03399	15.2
95.01337	3.1
95.04984	7.7
95.55540	2.2
96.04534	3.9
97.02885	16.6
98.06042	3.7
98.09691	15.1
101.07147	3.8
102.05564	6.2
103.03962	3.5
103.05476	3.4
105.07047	5.4
107.04963	27.0
109.02884	16.5
109.06560	3.1
110.06029	3.5
110.07166	24.0
110.09732	3.3
111.04465	5.5
112.08746	4.9
114.05521	3.4
114.76551	2.3
115.03976	2.6
115.08689	3.8
116.07068	2.6
117.07026	3.5
119.04936	16.5
120.08118	12.2
121.02881	27.8
121.06512	9.6
123.04487	11.2
126.05527	8.2
127.03959	3.7
127.08717	3.7
129.10257	26.1
130.05083	2.8
131.04976	7.4
133.02849	3.0
133.05032	4.1
133.06534	5.0
135.04433	28.4
136.07573	22.4
137.06006	5.0
137.07990	2.6
138.05566	3.2
138.06630	3.1
139.03867	5.6
139.08682	2.3
140.14366	8.2
141.05540	2.3
141.06729	2.0
141.10255	2.7
142.91440	2.0
143.11813	3.2
145.02910	2.3
145.06529	5.4
147.04419	33.1
149.02379	8.8
149.05984	5.6
151.03929	7.2
153.01836	6.7
155.08182	2.9
157.06398	3.7
157.10883	3.6
159.04420	10.0
161.02380	4.1
161.06015	10.2
163.03905	9.3
165.01854	9.6
165.05452	2.9
168.83087	2.2
171.04468	3.2
171.11345	2.7
173.02425	7.6
173.06026	10.9
175.00293	4.7
175.03911	7.8
175.07513	4.7
177.01842	22.4
177.05484	9.8
181.04941	2.4
183.02914	2.9
183.04465	2.8
185.05817	3.9
187.03825	12.9
189.01804	29.8
189.05495	6.1
191.03397	18.7
195.02899	37.4
197.05930	3.1
199.03915	4.8
201.01906	7.8
201.05530	13.4
203.03407	16.4
205.01311	7.7
205.04985	6.9
207.01164	4.3
207.02930	48.5
209.04503	3.5
211.03680	2.4
213.05527	4.8
215.03416	15.9
217.01474	3.5
217.05028	6.0
219.02907	97.5
221.00800	2.7
221.04518	6.9
223.02390	11.0
225.03876	16.0
227.03412	6.6
229.01381	3.5
229.04956	21.3
231.02905	55.0
233.04430	23.6
237.03941	24.5
239.03484	3.2
241.01363	3.8
241.04965	4.7
243.02892	33.5
243.06609	5.9
245.04457	10.5
247.06100	3.5
249.03960	17.2
255.02924	9.5
257.04492	18.4
259.02426	5.0
261.03964	100.0
267.02805	4.6
269.04459	6.1
271.06046	9.2
273.03979	48.8
273.07489	7.2
275.05450	3.2
279.05206	3.8
281.04474	6.7
283.06107	4.1
285.03958	46.2
287.05731	5.4
289.03568	3.0
291.04990	30.2
297.04382	15.7
297.07532	15.2
299.05585	9.9
303.05032	32.7
309.03842	6.7
309.07407	8.1
315.04950	11.7
321.06070	23.9
325.07114	5.1
327.05026	49.4
327.08682	21.3
339.08572	38.0
345.06146	9.1
351.08643	21.7
357.06030	11.4
357.09747	5.2
363.07056	35.5
369.06100	6.4
375.07306	6.9
381.09735	37.2
387.07220	13.7
393.09607	34.7
405.08563	39.6
409.09018	2.9
411.10751	21.3
417.09875	6.0
423.09909	30.4
427.10434	3.5
429.11850	35.5
432.90286	3.1
433.24094	2.7
435.12555	4.0
441.11111	44.2
447.10901	25.5
459.12985	34.8
465.11868	10.5
477.11810	10.9
483.12964	17.5
495.12961	18.6
507.12869	9.1
525.13849	14.1
543.14838	14.7
579.21625	2.6
596.81128	5.5
597.22736	9.3
597.32928	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	596.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.1
56.05028	1.4
56.22457	0.5
57.03421	1.6
60.04522	0.9
61.02898	1.0
63.63512	0.5
65.03921	1.6
67.05513	3.1
68.05032	1.0
69.03418	1.6
69.07060	1.2
69.71588	2.1
69.71997	1.1
70.02964	0.6
70.06599	52.9
71.05000	6.7
71.06914	2.2
72.08163	7.9
73.02914	1.2
73.08452	0.7
74.06060	1.1
75.04473	0.7
79.05508	0.9
80.05024	0.6
81.03417	0.9
81.07048	1.1
83.04974	1.9
84.04523	4.2
84.08146	12.7
85.02910	10.4
85.06515	0.9
85.08472	1.0
86.06042	0.7
86.09226	1.1
86.09714	13.0
87.04465	1.0
87.05616	2.7
88.04018	0.7
91.05489	12.8
93.04553	0.8
93.07034	0.7
95.04964	1.1
96.08127	1.3
97.02901	1.8
97.06489	0.7
98.06071	0.6
98.09701	66.9
98.47047	0.6
99.04442	0.8
99.10035	1.8
101.07090	0.6
102.05553	1.5
105.07072	0.8
107.04967	1.6
109.10156	1.6
110.06049	0.6
110.07175	6.3
110.09691	0.7
111.04438	1.2
114.40144	0.5
115.08643	0.9
116.07107	1.3
119.04952	22.9
119.08604	0.9
120.08121	7.3
121.10137	0.8
126.12777	0.7
127.03931	1.4
127.08683	3.5
129.05461	1.4
129.10249	5.5
130.06522	1.2
133.10161	0.9
134.06053	0.7
136.07614	4.8
138.06645	0.6
139.08710	0.6
140.14355	24.1
141.14719	1.1
143.10712	1.0
143.11761	0.9
144.13866	0.9
144.43602	0.5
145.05013	1.0
147.04422	100.0
148.04707	1.8
148.05917	0.8
155.08170	9.1
156.08533	1.1
158.15419	21.8
159.09192	1.3
163.06140	1.0
163.08684	0.7
167.08220	0.7
177.05449	1.0
181.09856	0.7
183.15004	1.4
197.13028	0.6
201.05467	0.8
211.05177	0.6
211.14433	0.7
217.15944	0.6
226.15506	1.6
227.15889	1.1
231.11493	0.8
235.16954	0.9
250.67154	0.5
254.15112	2.3
255.15363	1.2
263.13699	0.9
268.16586	0.7
275.09146	1.4
287.05557	1.3
298.72656	0.7
304.19229	3.9
311.13657	0.8
339.24130	0.6
340.24319	0.7
356.15677	1.1
367.23352	0.9
368.23770	1.9
418.67230	0.7
480.31711	0.8
481.31958	3.7
499.39719	0.6
541.56696	0.6
596.30756	89.0
596.74866	1.3
597.30951	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.05300	0.8
55.05514	7.2
57.03441	6.2
57.07075	1.0
65.03934	1.7
67.05506	32.3
69.06787	0.9
69.07079	9.2
70.06582	0.9
71.04992	0.9
71.08624	1.3
79.05492	19.0
81.03442	4.2
81.06593	1.9
81.07059	29.8
83.04987	1.9
83.08639	2.0
85.02911	1.7
85.06525	0.9
91.05489	10.9
93.07049	20.3
93.07623	1.2
95.04980	2.3
95.08611	23.0
97.06538	2.3
97.10159	0.9
98.21565	1.3
98.98473	11.7
105.07040	6.9
107.08595	8.4
109.02894	3.2
109.06538	1.1
109.10160	8.2
111.99039	0.8
117.07028	1.6
119.08566	5.7
121.06542	1.1
121.10130	9.3
123.08080	1.4
123.11713	3.2
131.08557	4.4
133.10162	4.3
135.11702	4.8
137.09576	1.0
143.08546	1.4
145.10143	3.4
147.11682	2.2
149.13255	1.7
155.00999	1.9
159.11732	2.5
161.13246	1.8
164.32420	0.8
167.10641	1.0
173.13277	1.7
240.95807	0.9
243.21010	1.6
261.03729	3.1
261.22192	2.3
317.24924	1.4
335.25806	100.0
425.36298	1.2
539.56604	1.0
595.37836	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.1
55.32312	0.5
57.03441	0.9
57.07063	0.8
58.82177	0.6
66.09031	0.7
67.05505	5.8
69.07056	2.3
71.53011	0.8
79.05504	3.9
79.74441	0.6
81.07055	5.9
83.01102	1.3
83.04972	1.1
83.08620	1.2
85.06545	0.8
91.05492	4.4
93.07039	4.4
95.04944	0.7
95.08609	3.1
97.06503	0.7
105.07037	4.4
107.08601	4.0
109.06532	0.7
109.10148	4.5
111.04173	1.4
117.07010	0.9
119.08568	2.4
121.10147	2.3
123.11664	1.0
127.03682	2.4
131.08568	1.5
133.10132	7.6
135.11705	1.7
137.09622	0.8
143.08682	0.7
145.10123	1.6
151.11200	2.9
155.06813	2.2
157.10266	0.7
161.09621	1.4
161.13240	0.6
163.14812	0.7
167.10597	0.6
171.06296	1.9
177.99750	0.6
179.10751	0.7
181.10332	0.6
199.09491	1.4
215.12883	1.8
225.23221	0.6
243.12099	1.1
253.14322	1.2
261.22174	2.3
271.15411	0.7
277.66443	0.7
317.15994	4.6
317.24680	0.6
331.17288	1.3
335.25845	5.4
378.29736	0.6
469.23889	1.0
509.27261	7.4
531.36798	0.7
576.81982	0.6
577.37701	1.4
595.38153	100.0
596.38019	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
59.38879	1.6
69.03412	2.0
71.30769	2.8
81.03463	1.6
85.02902	5.0
103.03938	2.8
109.02899	2.5
109.40493	1.7
119.04943	6.9
121.02132	2.5
121.02892	30.6
145.02899	3.7
163.03867	2.6
175.03883	2.3
177.01758	2.9
179.03510	2.1
189.01836	9.5
191.03377	4.3
195.02856	3.4
201.01866	2.3
203.03419	7.6
207.02788	4.2
215.03432	3.7
217.04962	3.9
219.02870	5.8
221.04417	2.1
229.04912	2.6
231.02692	1.5
239.03369	2.1
243.02930	2.6
246.22955	1.4
255.02960	3.4
255.83075	1.7
267.06451	3.0
268.07315	3.9
279.06442	3.3
280.07135	2.4
281.08051	6.3
283.06125	8.6
284.06879	1.8
285.03806	2.3
293.08170	3.3
294.05237	20.3
295.06046	79.3
296.06705	6.9
297.07559	6.7
305.07980	3.3
307.06046	45.8
308.06839	15.3
309.07578	13.4
313.07062	3.8
319.06015	6.4
319.09396	1.8
320.06818	4.0
321.07593	22.8
322.08304	12.2
323.05621	3.7
323.09100	5.5
325.07086	88.1
329.07938	1.9
333.07602	8.6
335.09122	14.2
336.06131	2.4
337.07062	55.8
337.10724	2.9
339.08746	3.2
345.07523	3.1
347.09244	9.2
349.07129	36.9
351.08624	18.9
355.08124	16.7
357.07300	2.4
361.07034	18.6
361.11038	1.5
363.08411	5.2
365.10126	11.8
367.07996	4.2
373.07098	7.1
375.08850	11.0
379.08154	43.2
381.09076	2.0
385.06955	3.2
387.08578	2.6
389.10330	3.7
391.08115	32.0
401.10056	4.5
403.08167	25.5
409.09262	44.0
413.10397	1.9
415.08478	2.9
417.09802	2.6
421.09225	21.1
427.10355	38.3
431.11197	2.0
433.09329	3.7
439.10281	28.5
443.07547	1.6
445.11597	7.8
457.11346	100.0
463.10315	8.3
475.12338	26.3
481.11383	27.2
487.10312	3.6
493.11407	4.8
499.12317	23.4
505.11157	8.5
511.12433	25.2
523.12451	26.9
529.13092	9.7
541.13391	25.0
541.21002	1.4
559.14484	31.6
577.15607	14.8
595.16132	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	595.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.0
57.03421	2.9
60.04522	1.0
60.56406	1.1
61.02930	1.7
65.03921	2.4
68.99792	3.5
70.06593	2.3
70.90894	2.2
70.91210	1.7
71.04965	1.3
81.03445	2.6
84.08138	4.5
85.02900	6.0
86.09689	1.5
91.05457	2.0
95.01347	1.2
97.02908	2.5
103.03943	2.0
107.04931	2.2
109.02874	3.8
111.04447	1.9
119.04934	9.6
120.08098	5.8
121.02862	53.5
126.19743	1.1
129.10260	3.2
131.04913	1.6
135.04408	2.4
145.02843	3.6
147.04379	2.5
151.03883	1.8
159.04405	1.6
163.03899	7.7
165.01865	2.7
173.02367	2.2
173.06033	2.1
175.03876	2.6
176.00957	2.3
177.01826	5.0
177.05446	2.2
179.03432	2.3
181.04982	1.7
187.03949	2.3
189.01813	10.1
190.02617	1.3
191.03377	5.2
193.05017	1.1
195.02885	4.4
199.03902	1.7
201.01794	2.0
201.05394	2.2
203.03381	10.8
205.04993	4.1
207.02913	7.9
211.04007	1.6
213.05396	1.2
215.03351	3.1
217.04974	6.7
219.02875	8.2
221.04375	1.3
225.05493	1.5
229.04939	5.0
231.02890	4.5
233.04443	3.2
239.03490	2.0
241.04907	2.8
243.02953	3.8
243.06503	1.4
247.05988	2.3
249.03853	1.4
254.05742	1.2
255.02942	3.1
257.04385	2.2
259.05984	3.2
261.03915	5.7
267.06412	2.8
268.07291	3.7
271.05890	1.8
273.03976	4.1
279.06503	4.3
281.04840	1.6
281.07990	5.3
283.05988	8.8
284.06619	2.3
285.03970	5.0
292.07306	1.3
293.08054	3.2
294.05206	18.8
295.06000	79.2
296.06671	7.1
297.07596	7.0
303.05084	1.7
306.09030	1.5
307.06006	51.1
307.09549	2.9
308.06732	15.4
309.04105	1.9
309.07504	15.8
313.07089	6.7
319.06039	4.9
320.06720	4.5
321.07565	23.6
322.08392	11.4
323.05484	2.8
323.09064	4.1
325.07047	96.4
326.07449	1.6
327.04913	1.7
329.08127	1.6
333.07550	8.1
334.08505	1.5
335.05450	2.1
335.09097	14.1
336.06339	2.5
337.07050	58.3
337.10489	2.1
339.08078	2.5
343.08090	1.9
345.07214	3.4
347.09256	10.6
349.07047	33.1
351.04480	1.3
351.08658	20.7
355.08109	19.9
357.07690	1.7
359.09470	1.4
361.07040	16.0
361.10889	2.0
363.08603	6.8
365.10236	11.3
367.08081	5.5
373.07220	5.6
375.08734	10.4
377.14352	2.3
379.03247	2.6
379.08096	51.8
385.06870	2.9
387.07733	2.6
389.10172	3.1
391.08093	31.4
393.09079	3.0
401.10260	2.7
403.08057	21.0
405.08841	3.4
409.03714	2.5
409.09137	42.9
415.08459	3.1
417.09088	1.7
421.09155	23.2
423.09186	3.0
427.10294	39.2
433.09418	4.9
439.10260	30.1
441.09955	3.3
445.10342	8.0
449.12473	1.3
457.11292	100.0
463.10132	6.7
475.12317	25.1
481.11334	26.6
487.10077	4.0
493.11444	5.5
499.12378	24.6
505.11325	7.7
511.12424	32.7
523.12329	24.5
529.13373	15.7
541.05548	2.2
541.13428	30.1
559.14496	31.8
577.15466	18.9
577.23755	2.2
595.16516	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	594.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.1
55.05505	0.3
57.03450	0.2
67.05505	0.8
69.07058	0.1
79.05524	0.6
80.05041	0.1
81.07066	0.8
83.08633	0.1
88.31276	0.1
91.03999	0.1
91.05478	0.6
93.07049	0.4
95.08608	0.5
98.09721	0.1
98.98463	3.5
105.07039	0.4
106.06572	0.2
107.08611	0.5
109.10153	0.3
115.05485	0.2
117.05722	0.3
117.07024	0.5
118.06516	1.1
119.07320	0.8
119.08591	0.2
125.00008	12.6
128.06195	0.2
130.06540	0.4
131.07379	0.1
132.08110	0.3
133.10107	0.2
134.09660	13.0
137.44771	0.1
144.08083	5.9
145.08875	4.0
158.09590	0.2
160.11220	86.1
161.11584	0.3
164.32732	0.1
166.05304	0.1
178.12273	5.9
202.22549	0.1
258.08908	100.0
259.09241	0.4
576.34363	1.3
594.35565	3.4
594.44501	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	595.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
53.82734	0.2
55.01874	1.7
57.03445	1.2
61.02937	1.1
67.05487	0.2
68.99767	0.6
69.03432	6.3
69.61578	1.1
70.06599	1.7
71.04999	1.1
72.08122	0.5
73.02925	1.3
81.03423	9.0
81.07051	0.2
84.08115	0.7
85.02908	11.0
86.09705	1.1
87.00830	5.2
91.03927	0.6
91.05478	0.4
93.07031	0.2
97.02316	0.3
97.02895	4.7
98.09698	2.0
98.21489	0.4
99.03862	0.2
99.04456	3.1
103.03908	0.3
105.01310	0.2
105.01867	2.2
109.02885	6.9
109.10172	0.3
116.07065	0.2
117.01864	1.3
119.04896	0.6
120.05325	0.2
120.08086	0.4
121.02863	0.3
127.03918	9.4
129.01794	0.4
129.10214	0.4
134.03586	0.3
137.05920	0.3
140.14307	0.8
145.03914	0.3
145.04961	2.8
147.02911	0.6
147.04385	2.7
147.11569	0.3
148.04712	0.2
151.03897	0.3
153.74913	0.2
154.97900	0.2
155.08141	0.4
158.15372	0.5
159.02881	4.2
164.04594	0.3
168.00514	0.4
169.01294	0.8
169.04965	0.3
183.02899	0.5
213.03929	0.2
231.05002	1.3
233.04411	0.3
235.16890	0.3
244.03650	0.7
245.04459	0.7
253.17995	0.2
261.03891	1.5
265.51297	0.2
272.03174	2.4
273.03909	2.2
285.03802	0.3
287.05478	2.6
288.05981	0.9
289.03381	3.5
289.06177	0.9
300.02719	2.1
301.00034	0.4
301.03445	8.2
303.04901	0.5
314.04202	0.3
315.05008	2.6
317.02896	1.7
331.04391	1.2
332.05261	27.2
339.24048	0.2
347.07611	100.0
348.07922	0.8
449.10886	0.2
578.13922	0.2
594.28601	0.6
595.29944	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.9
55.01859	8.6
55.05513	22.1
57.03431	10.5
57.07077	14.8
61.02919	10.6
62.08023	2.5
65.03922	3.6
67.05507	41.7
68.99804	4.3
69.03089	3.2
69.03436	45.7
69.07069	39.5
69.19903	13.7
69.20330	10.9
70.06612	19.8
71.04987	14.4
71.08623	3.7
72.08153	5.9
73.02916	11.5
79.05503	24.3
81.03423	39.9
81.07059	100.0
81.96657	2.5
83.04964	7.3
83.08620	17.9
84.04517	3.9
84.08154	15.5
85.02908	92.7
85.06546	6.1
86.09711	10.1
87.00832	42.7
88.53745	2.3
91.03947	4.2
91.05476	22.3
93.07056	44.1
95.04975	8.5
95.08611	91.0
97.02296	4.1
97.02895	49.5
97.06525	6.7
97.10181	12.7
98.09688	8.6
99.04477	23.3
99.08075	3.2
105.01190	4.6
105.01870	56.9
105.07039	26.6
105.47997	2.1
107.04961	6.7
107.08590	45.8
109.02884	29.7
109.06524	4.2
109.10164	54.4
110.07152	4.2
111.08058	4.5
111.11732	10.7
111.12550	2.1
112.08743	2.5
115.03932	5.0
117.07037	4.8
117.65890	2.5
119.08597	18.1
120.08064	5.7
121.06518	7.1
121.10149	39.1
123.04420	4.8
123.08078	3.8
123.11715	46.5
125.09628	5.3
125.13275	4.6
127.02975	4.2
127.03919	73.4
129.01825	3.3
129.06955	4.6
129.10210	4.2
131.08551	8.2
133.06468	2.8
133.10156	15.4
135.11682	31.4
136.07613	3.4
137.09596	3.4
137.13248	26.4
139.11128	5.9
143.08521	4.6
145.04971	30.5
145.06540	2.4
145.10123	13.6
147.08105	4.0
147.11702	14.8
147.27556	3.1
149.09607	2.8
149.13274	30.0
151.11136	3.2
151.14815	7.8
153.12708	8.0
157.10120	3.8
159.02922	13.8
159.07927	3.3
159.11693	9.0
161.09589	5.4
161.13306	12.4
163.11182	3.1
163.14835	15.9
165.12714	5.7
165.16414	2.3
173.04442	2.7
173.13188	4.3
173.95752	2.8
175.14835	5.3
177.12633	3.9
177.16396	9.6
185.09700	2.8
187.14775	4.4
189.16447	4.9
191.17987	6.1
195.14081	2.7
203.17889	5.1
209.18983	3.0
213.04063	3.4
217.19511	6.6
231.04984	17.3
249.06050	5.1
269.17615	8.7
273.25809	24.3
275.20276	4.0
279.26886	4.6
289.05554	2.8
289.15817	2.6
289.24951	3.3
291.26877	23.4
309.27911	19.5
327.28931	4.3
381.27725	3.8
399.28870	3.4
457.52716	2.8
503.29901	3.9
521.21790	2.6
521.30463	4.2
549.30176	5.2
557.26495	3.2
575.28204	10.0
593.29285	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.276
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.10654	0.2
55.05508	0.3
57.07063	0.4
67.05505	0.7
74.52788	0.2
79.05460	0.3
81.07072	0.7
83.08620	0.3
88.32445	0.2
91.05465	0.2
92.09200	0.3
93.07034	0.6
95.08617	0.6
98.21533	0.6
107.08627	0.3
121.10164	0.3
135.11739	0.3
156.97333	0.2
182.99142	0.3
207.09099	0.3
226.49474	0.2
313.27460	0.8
314.27832	0.7
336.26019	0.3
389.17603	0.7
402.18350	0.6
403.19202	2.1
404.20184	0.8
405.20929	1.5
406.20911	0.3
416.20175	0.7
417.16751	1.0
417.21423	3.0
418.21860	1.8
419.22382	3.7
420.23172	0.3
421.23923	0.3
430.18051	0.7
431.18246	7.2
432.18707	2.1
433.24222	5.7
434.25073	1.1
445.20078	8.5
446.20874	3.9
447.21756	4.7
449.22910	0.3
459.21539	3.1
460.22607	9.7
461.23251	8.1
473.23959	1.8
474.24393	0.6
476.25790	1.0
477.22855	0.8
487.24979	0.9
489.26801	0.6
491.24246	0.7
492.25351	1.4
505.22083	5.6
515.24493	0.3
518.23584	0.5
519.24219	0.8
533.25525	27.0
534.25964	0.7
547.27185	0.3
549.22491	0.3
561.25067	0.5
564.23401	0.7
565.28223	0.9
575.26257	0.4
593.27612	100.0
594.27826	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10235	2.7
54.46822	2.9
55.01866	3.9
55.05515	33.5
57.03430	6.2
57.07075	10.2
59.04998	9.2
61.02922	4.2
64.76427	2.8
65.03951	5.3
67.05508	37.0
69.03420	10.0
69.06689	3.4
69.07065	58.1
69.17416	25.2
69.17830	7.3
70.06596	15.7
71.08624	3.8
72.08153	4.9
72.88208	2.6
74.11223	2.6
79.05502	22.2
81.03423	8.5
81.07054	100.0
81.07529	5.0
83.04959	5.5
83.08618	29.8
84.08144	11.4
85.02913	20.2
85.06538	6.7
86.09705	7.5
87.00851	7.6
91.05477	16.4
93.07037	43.0
95.04990	6.4
95.08610	81.3
97.02936	6.2
97.06541	8.0
97.10175	13.1
99.08093	19.1
105.01884	8.6
105.07020	24.0
107.08604	36.6
109.02876	5.5
109.06484	3.8
109.10159	62.1
110.07195	6.0
111.11720	12.4
111.13275	3.2
117.06998	4.5
119.08584	19.4
120.08093	4.7
120.08913	3.8
121.06522	7.0
121.10145	31.0
123.04487	3.4
123.11697	45.5
125.13268	5.9
127.03917	6.7
129.06949	4.6
129.10217	4.0
131.08553	6.2
133.10124	14.2
135.11661	27.0
136.07620	6.9
137.09633	4.1
137.13278	28.0
139.11256	4.6
143.08525	3.6
145.10117	9.9
147.11690	15.7
149.09656	4.2
149.13249	32.5
151.14815	4.7
156.63678	2.8
159.11620	4.3
161.05988	3.4
161.13309	10.5
163.14839	27.9
169.94643	3.3
175.14793	9.8
177.16405	12.6
189.16393	9.7
191.17970	13.4
193.19528	5.8
196.98900	3.5
203.17978	18.6
213.12877	2.9
217.19547	7.6
221.19022	4.6
231.04741	4.0
231.17680	3.0
249.06085	4.6
272.16443	3.5
273.25769	68.9
291.26822	65.1
292.18872	4.1
415.71890	3.5
450.80804	3.3
503.30261	3.4
521.30835	5.7
554.14856	3.8
556.32416	5.5
574.34204	7.3
592.36163	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	592.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10277	0.3
55.05517	0.5
57.07064	0.4
62.61555	0.3
67.05495	1.0
69.07092	0.4
71.51375	0.4
71.51735	0.4
79.05489	1.2
81.07046	1.5
83.08632	0.4
91.05460	1.0
93.07044	0.8
95.08611	0.7
97.10195	0.5
98.98470	3.9
105.07034	0.6
107.08583	0.7
108.08171	0.3
109.10126	0.4
117.07008	0.8
118.06532	1.1
119.07304	0.7
119.08591	0.5
125.00008	12.9
134.09659	12.1
134.10674	0.7
144.08087	6.0
145.08887	3.6
160.11221	80.9
178.10849	0.2
178.12271	5.3
217.38774	0.3
218.90778	0.3
258.08911	100.0
259.09171	0.5
313.27243	0.4
335.25732	0.4
337.27301	0.9
372.48203	0.3
574.32739	1.4
592.33417	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	592.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12463	1.7
52.99053	1.7
53.03939	3.6
53.11362	2.0
55.01874	2.7
55.05509	37.0
57.03432	4.1
57.07079	9.0
59.05010	9.7
61.02910	2.3
67.05510	27.4
69.03415	5.1
69.07069	73.9
69.35611	12.8
69.99126	1.6
70.06583	6.2
71.04996	3.7
71.08619	3.3
72.08159	3.1
73.02902	1.7
79.05495	16.1
80.38621	1.8
81.03415	6.8
81.07059	100.0
83.08624	31.5
84.08145	4.9
85.02922	7.5
85.06547	3.0
86.09721	2.0
87.00819	2.8
91.05470	11.7
93.07049	34.4
95.04980	5.1
95.08610	93.4
97.02892	4.1
97.06536	5.3
97.10175	15.7
97.25051	1.9
99.08101	27.4
103.96748	1.7
105.01865	6.3
105.07034	20.2
107.08593	44.7
109.06521	3.2
109.10162	72.6
111.08110	4.9
111.11712	11.9
117.07074	2.8
119.08587	16.2
121.06516	2.6
121.10149	40.1
123.11706	46.8
125.09633	3.4
125.13282	8.7
127.03936	6.1
127.11212	2.6
128.33228	1.8
129.10233	3.0
131.08562	1.9
133.10139	17.1
135.11684	30.6
137.13263	36.1
139.11194	3.9
145.10144	4.1
147.11697	17.3
149.13251	36.4
151.14827	7.5
153.12729	4.8
153.35408	1.8
155.05545	1.8
159.11662	3.5
161.13272	10.1
163.14821	32.6
175.14851	7.4
177.16418	13.9
189.16344	13.1
191.18016	14.7
193.19525	7.9
203.17952	22.3
205.19441	2.0
209.19014	3.3
217.19557	13.8
221.19112	2.1
231.21143	4.8
233.22717	6.5
249.06049	2.0
273.25778	97.1
291.26819	77.4
433.63547	1.9
457.38815	2.2
503.29733	4.8
509.77753	1.8
521.31244	2.3
556.32513	2.4
592.36511	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	591.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.05510	18.2
55.99819	1.5
57.03437	11.5
57.07076	47.3
65.03928	3.3
67.05504	62.9
69.07069	17.1
69.26094	15.7
71.05001	1.8
71.08632	32.4
79.05072	2.6
79.05495	32.8
81.07053	68.6
83.08627	13.0
85.10183	15.8
89.06043	1.7
91.05476	18.6
93.07046	39.6
95.04967	4.6
95.08607	55.8
97.06544	3.4
97.10175	8.4
99.11668	2.1
103.07562	1.7
105.04554	1.6
105.07033	13.8
105.90502	2.0
107.08589	22.6
109.10158	27.0
117.07030	6.0
119.08582	11.0
121.10133	20.4
123.11711	12.1
131.08597	12.5
133.10124	9.6
135.11681	16.6
137.13240	4.9
145.10071	8.2
146.05157	1.7
147.11632	9.3
149.13283	9.5
151.14865	1.7
155.08635	1.6
159.11681	8.9
161.13235	4.8
163.14816	6.1
165.54189	1.7
173.13248	8.6
175.14847	3.2
187.14777	4.2
233.22581	3.2
239.23737	5.1
243.21118	11.5
257.24667	3.3
261.22131	55.5
279.23257	1.9
313.27368	100.0
317.24640	12.3
335.25803	66.6
363.93015	2.0
401.57224	1.9
405.65161	2.0
452.21884	1.7
499.45004	2.5
573.48804	28.0
591.49731	12.0
613.26685	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	591.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63964	2.0
52.87375	2.0
53.03947	7.6
53.63614	1.9
55.01875	5.8
55.05511	22.7
56.05041	5.1
57.03436	8.1
57.07071	7.5
59.04997	3.3
61.02929	8.4
61.25622	2.5
64.26378	2.2
65.03941	2.2
67.05502	29.7
68.05039	5.6
69.03432	21.3
69.07069	43.5
70.06596	43.8
71.05007	15.4
71.06912	2.1
71.52055	3.3
72.08150	9.0
73.02923	5.2
73.06565	2.5
74.06104	2.7
79.05490	21.0
81.03423	20.9
81.07061	100.0
83.04978	7.2
83.08624	16.5
84.04504	9.1
84.08147	25.7
85.02914	36.2
85.06549	24.9
86.06073	4.9
86.09711	25.6
87.00842	11.8
87.05548	2.3
91.05479	19.2
93.07050	47.7
95.04981	9.4
95.08609	76.1
97.02289	3.0
97.02885	19.4
97.06550	16.0
97.10185	6.1
98.09707	7.3
99.04463	9.3
99.08100	8.9
102.05480	2.8
103.03957	5.7
103.05461	2.8
105.01878	7.7
105.07044	30.3
107.04983	3.6
107.08596	47.6
109.02891	15.2
109.06531	5.4
109.10159	55.2
110.07174	5.6
111.08091	12.3
111.11738	4.9
112.08815	2.2
113.09673	11.8
115.03920	3.1
117.07014	4.0
119.08585	26.4
120.08116	6.4
121.06509	8.1
121.10149	38.7
122.09678	2.6
123.08099	3.7
123.11712	51.8
125.09646	9.8
127.03919	32.7
127.07622	2.4
127.11192	14.2
129.01846	2.4
129.07037	3.9
129.10237	9.0
130.05009	5.1
131.08595	8.3
133.10164	27.9
135.08069	2.6
135.11702	25.6
136.06247	2.6
136.07532	4.0
137.09642	3.5
137.13260	12.7
139.11150	7.2
140.14325	2.7
143.08585	3.4
145.04945	9.6
145.10127	13.8
147.07835	3.0
147.11685	23.5
149.09665	2.6
149.13280	19.3
151.11168	6.5
151.14842	12.5
153.12692	12.2
155.08501	2.5
155.14331	2.1
157.10114	3.2
159.02901	5.1
159.11705	11.9
161.09727	2.9
161.13280	13.6
163.11189	6.8
163.14798	16.0
165.12787	4.6
167.14352	4.0
169.10083	3.5
171.13866	2.4
173.13240	10.8
175.14885	5.5
177.16379	8.2
179.14322	7.8
181.12234	5.7
185.13277	2.4
185.15335	4.6
187.14857	8.3
189.16394	5.9
191.17918	4.6
193.15822	2.8
197.15359	2.9
201.16386	3.9
203.17972	21.0
204.10283	5.3
207.17445	2.3
209.19070	2.4
211.14528	2.4
215.17920	6.0
219.17368	3.4
221.19046	12.0
225.18530	3.0
228.77203	2.5
229.19571	4.7
231.05067	3.2
233.19025	2.7
237.18471	5.1
259.24228	3.5
267.21082	4.8
267.23294	6.8
271.24240	14.3
277.25330	6.7
285.24463	2.8
289.25241	29.2
295.26318	8.0
307.26346	48.8
325.27396	63.4
343.28311	6.8
403.28351	2.2
487.54694	2.2
509.76889	2.3
511.86835	2.7
519.29205	4.4
537.30316	3.3
591.18616	3.7
591.30005	9.2
592.37781	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	591.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.01873	1.8
55.05511	1.7
56.05032	0.9
57.03441	0.9
61.02929	1.3
65.03944	4.8
67.05511	3.0
69.03439	5.6
69.07058	1.7
70.06601	7.4
71.01336	0.7
71.04967	1.1
71.06931	0.6
71.51625	0.7
72.08144	1.4
73.02924	1.3
76.72128	0.6
78.03465	0.8
79.05499	2.6
80.05025	3.8
81.03423	3.4
81.07061	3.5
83.04996	0.9
83.08630	0.7
84.04485	1.4
84.08160	7.6
85.02908	5.1
85.06549	0.9
86.06080	0.7
86.09703	4.3
91.05491	100.0
93.07056	2.6
95.04976	1.1
95.08610	2.1
96.04514	2.1
97.02902	55.2
97.06516	0.7
97.10178	0.7
98.09705	1.6
99.04462	3.9
102.05535	0.7
103.03964	3.8
105.07035	2.0
106.02921	2.1
107.05032	0.5
107.08598	1.7
108.08108	0.6
109.02896	2.7
109.06540	0.5
109.10173	2.1
110.07178	1.6
111.08108	0.6
112.08747	0.8
113.70509	0.5
115.03921	4.8
118.06520	0.6
119.08607	1.8
120.08127	2.0
121.06524	1.2
121.10174	1.9
122.06034	0.8
123.05568	33.7
123.11771	0.8
124.03974	8.2
127.03933	6.4
129.09171	0.7
129.10234	2.0
131.08560	1.3
133.06546	0.9
133.10121	1.1
134.09689	1.0
135.08130	0.9
135.11722	1.1
136.07620	1.7
137.09619	1.0
139.05035	0.8
140.73473	0.6
141.06613	1.6
144.10229	0.8
145.05025	1.4
145.06511	0.7
145.10161	2.3
147.11685	0.8
149.88106	0.7
150.05524	0.8
150.09167	1.0
157.05147	0.7
157.10176	0.8
159.11723	0.7
160.07558	0.6
162.09152	3.3
163.11169	0.6
164.10722	0.9
165.06654	1.2
166.05060	0.9
170.09700	1.7
171.11504	0.8
171.76784	0.6
175.06102	1.8
179.11858	2.2
180.10277	1.1
180.73137	0.5
185.13339	1.0
187.07463	1.0
189.06613	7.9
190.05026	1.5
191.08348	0.6
207.11336	3.3
214.08658	11.3
217.06111	4.3
218.04558	1.1
219.07701	0.9
219.59198	0.7
230.08263	0.8
232.09741	0.8
267.21021	1.3
280.09680	4.3
298.14383	1.6
306.15634	0.8
308.09305	1.0
338.12485	0.9
339.15503	0.8
349.12820	1.0
361.31683	0.6
382.11267	1.4
397.12344	4.6
399.14044	20.0
422.18170	0.8
438.17804	1.7
446.18185	1.1
448.16049	1.6
466.17410	1.7
483.19791	20.5
483.26581	1.2
488.15659	10.3
490.17136	40.3
491.17142	0.8
556.21619	2.6
574.22894	23.6
575.23438	0.7
591.28741	0.6
591.34723	0.9
591.43073	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.05270	2.3
55.05516	32.0
57.03439	14.7
57.07080	20.3
64.13818	1.3
65.03943	1.4
67.05507	56.0
69.07072	41.2
71.04972	1.4
71.08635	13.2
79.05499	40.7
81.07059	61.5
83.04990	2.0
83.08147	2.3
83.08622	29.0
85.06564	2.0
85.10175	5.1
91.05483	28.4
93.07046	55.5
95.04979	2.7
95.08611	51.7
97.06525	4.1
97.10181	19.8
99.08091	2.2
100.78762	1.4
105.07037	29.2
107.08595	31.4
109.06499	1.9
109.10162	20.5
111.08096	3.8
111.11711	5.5
113.09592	1.8
116.22131	1.3
117.07014	9.2
119.08577	18.2
121.10143	23.0
123.08060	1.7
123.11732	9.0
124.91253	1.3
125.09676	1.8
129.05527	2.2
129.07025	2.1
131.08560	16.3
133.10121	12.3
135.08006	1.5
135.11702	17.6
137.09621	1.5
137.13275	2.3
143.08571	2.4
145.10117	16.2
147.11699	13.5
149.09647	2.0
149.13249	12.1
151.14807	2.2
159.11728	9.6
159.99890	1.6
161.13255	10.4
163.14825	12.9
171.11752	2.6
173.13283	9.1
175.14803	5.0
177.12708	1.9
177.16405	4.7
185.13280	2.1
187.14832	5.8
199.14809	1.2
201.16399	2.6
203.14322	1.3
213.65451	1.4
215.18016	1.7
217.87357	1.3
233.22675	4.1
237.03893	1.3
241.19493	5.3
243.21117	23.9
245.22679	1.9
259.20581	13.9
261.22141	38.9
277.21484	1.7
279.23227	2.2
311.25818	93.2
313.27359	15.3
315.23019	2.0
317.24725	9.7
333.24136	7.5
335.25803	100.0
355.45978	1.4
361.23682	1.5
473.44019	2.2
479.42889	1.7
497.43488	11.0
515.44269	2.8
547.47266	2.2
571.38196	2.0
571.47223	32.6
589.48846	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29548	0.3
53.03937	0.9
55.01868	4.8
55.05515	5.7
57.03430	0.3
57.06800	0.7
57.07078	13.6
65.03937	0.5
66.59062	0.3
67.05509	9.4
69.03416	0.7
69.06725	0.5
69.07068	5.8
69.16432	3.2
70.86789	0.3
71.08634	8.9
71.43417	0.3
76.00888	0.3
79.05492	6.2
79.70579	0.3
81.07059	34.7
83.04992	2.2
83.08615	4.1
85.06518	0.8
85.10186	4.4
87.08053	0.4
91.05488	2.7
93.07037	4.4
95.04978	0.3
95.08608	12.8
96.55968	0.3
97.06531	1.1
97.10168	1.8
99.36047	0.3
99.81190	0.3
101.09730	0.3
102.08127	0.3
105.07038	3.5
105.64816	0.3
107.08610	4.0
109.06523	10.7
109.10166	5.3
111.04447	15.7
111.08099	0.8
113.05984	0.3
117.07023	0.5
119.08598	4.7
121.10152	4.0
123.08043	1.9
123.11729	2.5
125.05993	4.4
128.06239	0.4
129.06989	0.3
131.08534	1.8
133.10127	4.7
135.08032	2.5
135.11707	4.0
137.05981	100.0
137.13252	2.2
139.07478	0.6
142.07773	0.4
143.08575	1.8
145.10071	1.7
146.07195	0.4
147.08070	1.6
147.11685	6.1
149.09628	4.9
149.13248	1.7
151.07556	3.1
151.11194	1.5
157.10141	2.2
159.11688	1.8
161.09612	5.8
161.13287	2.4
163.11163	2.8
163.14798	1.0
165.09117	2.9
165.12688	0.7
167.10683	0.7
171.11661	1.1
175.11195	4.8
175.14813	1.1
177.12694	0.7
179.10663	1.9
179.14325	0.4
181.10045	0.4
181.12245	0.5
184.64674	0.4
185.13254	0.6
189.12790	1.3
193.12230	1.2
195.11687	0.3
195.68829	0.4
203.17963	6.0
205.19498	0.8
213.16414	3.0
221.19003	2.2
223.14824	0.4
231.17438	8.4
239.23663	0.8
241.15889	1.2
243.98689	0.3
249.18518	10.7
268.84741	0.3
277.18005	70.8
278.18500	0.6
295.19055	10.2
313.27393	0.5
324.05798	0.3
589.44617	50.6
590.44836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.3
55.01851	1.4
55.05518	15.7
57.03440	10.1
57.07082	7.4
59.02548	0.9
65.03929	1.1
65.64436	1.0
67.05507	9.7
69.07072	16.1
71.04980	1.3
71.08635	4.4
71.23563	1.4
79.05486	6.4
81.03424	49.8
81.07053	7.4
83.04976	3.1
83.08624	22.2
84.44971	0.9
85.10183	1.1
91.05479	8.2
93.07059	5.5
95.04968	13.2
95.08614	4.8
97.02905	1.3
97.06534	2.2
97.10177	10.3
105.07038	6.1
107.04927	4.3
107.08595	1.9
109.06554	1.7
109.10174	1.9
111.04517	1.1
111.08086	3.7
111.11732	3.2
117.06995	1.3
119.08586	7.9
121.06523	1.6
121.10145	6.0
129.07011	3.9
131.08568	5.0
133.06496	1.1
133.10107	2.5
135.11685	2.4
142.15569	0.9
145.10069	1.3
147.08070	1.9
147.11717	4.4
149.09695	2.1
157.08977	1.0
157.10138	5.4
165.12788	1.0
175.11206	5.9
179.80003	0.9
193.10666	1.5
193.12267	15.9
211.13332	1.5
216.57211	0.9
225.07750	0.9
249.14941	1.9
267.15933	100.0
311.25830	59.0
503.37341	40.2
503.42999	0.7
503.44928	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.8
55.01865	18.4
55.05515	25.2
56.05019	5.6
57.03434	10.6
61.02919	12.0
67.05503	49.0
68.05028	5.6
68.50936	4.4
69.03149	4.5
69.03433	45.6
69.07070	26.8
70.06595	34.6
71.04983	15.6
71.27623	4.3
71.51933	6.2
72.08139	14.2
73.02914	10.0
79.05499	38.1
81.03427	42.9
81.07056	78.3
83.08614	15.2
84.04503	8.8
84.08144	38.3
85.02904	81.4
85.06547	41.4
86.06048	11.9
86.09711	19.7
87.00838	34.6
91.05476	40.1
93.07049	92.8
95.04960	12.0
95.08605	73.9
95.24011	4.8
97.02888	40.9
97.06502	5.1
97.10198	5.6
98.09687	7.2
99.04449	16.5
105.01863	24.3
105.07033	100.0
107.08598	73.4
109.02859	40.1
109.06471	6.1
109.10162	42.6
110.07152	7.2
111.08067	10.8
111.11784	4.1
115.05486	5.5
117.01893	4.4
117.07021	13.1
119.08576	65.4
120.08067	10.0
121.06510	6.7
121.10149	52.7
123.08097	5.6
123.11700	25.4
127.03918	58.5
129.01920	4.6
129.06975	7.4
129.10222	10.8
131.08543	29.7
132.04375	6.8
133.05002	4.3
133.10129	48.8
135.11710	29.4
136.07565	7.3
136.51263	4.5
137.09607	8.1
137.13260	5.7
143.08577	11.9
145.04935	25.7
145.10124	57.1
147.11694	50.9
149.13281	30.6
151.11188	8.5
157.10114	22.9
159.02887	17.6
159.11678	54.8
161.13240	21.8
163.11250	5.6
163.14835	9.5
165.06781	4.0
169.10136	5.9
171.11690	15.9
173.13242	36.9
175.14827	26.5
177.16455	7.7
184.07298	7.4
185.13254	12.3
187.14821	27.8
189.16376	11.5
190.16786	4.5
197.13222	6.4
199.14847	14.2
201.16405	31.7
205.15854	5.5
213.16409	22.7
217.19455	7.7
227.17967	11.6
229.19501	48.0
231.05002	13.9
241.19600	4.7
269.22620	58.3
271.24161	11.9
287.23654	49.2
305.24686	8.0
588.31342	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
53.18281	1.2
55.05522	12.5
57.03445	10.8
57.07081	8.1
61.00156	1.2
67.05508	11.0
69.03428	1.7
69.07072	17.5
69.16476	1.1
71.08616	5.6
79.05511	7.8
81.03428	52.8
81.07073	10.4
83.04974	1.6
83.08630	27.7
85.10182	1.9
86.00905	1.2
89.85619	1.2
91.05498	10.0
93.07068	6.4
95.04967	12.2
95.08605	4.9
97.02892	1.8
97.10184	8.7
103.00830	1.3
105.07038	8.0
107.04987	2.8
107.08588	4.3
109.06503	1.8
109.10168	2.2
111.08069	4.2
111.11729	3.1
118.65181	1.4
119.08566	9.5
121.06504	1.9
121.10130	5.5
129.07037	6.2
131.08572	5.6
133.06441	2.0
133.10138	3.1
147.08081	2.2
147.11684	6.8
149.09644	2.6
157.10138	6.4
165.12766	2.6
175.11197	5.2
193.12257	19.6
207.50511	1.7
211.13210	1.8
221.45776	1.4
249.14801	1.7
267.15939	100.0
311.22183	3.0
311.25812	60.7
429.33881	1.5
503.37384	44.2
521.38782	2.0
526.55524	1.5
588.39490	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	588.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01873	1.7
55.05515	9.4
56.05043	3.0
57.03443	3.4
57.05820	1.2
58.06606	1.1
60.04529	2.1
60.05658	1.3
61.02932	0.7
67.05527	0.6
68.05035	5.7
69.03442	2.5
69.07072	1.2
70.02947	3.4
70.06598	10.5
71.01357	1.2
71.05025	0.5
72.08160	100.0
73.02929	2.2
74.06083	1.9
81.03413	0.6
82.06587	1.1
83.04998	0.6
83.06107	5.9
83.32687	0.4
84.04513	24.1
84.08150	17.5
85.02906	2.5
85.04023	0.9
85.07681	1.4
85.08474	0.8
85.93437	0.5
86.05591	0.3
86.06074	11.2
86.09714	18.4
87.04498	0.5
87.05592	6.6
87.06400	0.5
88.03997	5.9
88.66262	0.5
91.05502	1.7
96.04504	1.5
96.08211	0.5
97.02905	3.1
97.04057	1.3
98.02438	1.9
98.06072	0.6
98.07204	0.8
98.09685	0.8
98.21549	1.1
99.05624	0.5
100.07647	0.4
101.07152	5.2
102.05515	0.8
108.07983	0.5
110.02380	0.7
110.06095	0.8
110.07163	2.9
110.09695	0.7
112.04004	0.4
112.08754	1.4
113.07149	1.7
114.05550	1.1
114.06702	1.0
115.03961	1.6
115.05061	1.0
117.10265	19.4
119.04974	1.3
120.08092	0.6
124.03976	1.2
126.09161	0.5
127.03947	1.0
127.08728	0.7
127.09818	0.5
128.08220	0.7
129.06622	1.3
129.10245	6.4
130.05048	0.8
130.60643	0.4
132.10217	2.7
133.05029	2.0
135.05602	0.6
136.07585	8.9
136.08571	0.6
137.07133	0.4
138.06676	1.3
138.09149	1.2
139.05031	2.6
139.08691	0.8
140.14389	0.7
141.06606	1.0
141.10233	0.8
142.04999	0.5
143.04509	2.3
145.09740	0.8
147.04463	1.3
150.01924	1.1
152.07072	5.6
155.08200	1.2
155.11803	0.6
156.07788	0.5
157.04999	0.5
157.06149	1.5
158.09236	0.6
166.08688	2.0
167.04616	1.6
173.09222	1.0
173.12848	0.7
180.07758	1.6
181.06100	4.1
181.09546	0.5
183.07726	0.7
183.11366	1.2
184.07166	3.2
185.05603	3.3
187.10846	1.9
193.09782	0.7
194.08101	5.5
195.04106	0.6
197.10434	1.4
198.08760	0.9
200.14056	1.7
201.12416	2.0
202.08174	3.3
208.07245	1.2
209.05629	1.1
209.10306	1.2
210.12439	0.5
211.10760	8.8
212.06764	1.6
212.09267	1.0
213.05110	0.6
224.13907	0.4
225.09952	2.0
226.08240	3.6
228.13449	28.8
229.11853	0.8
230.07722	17.3
238.11742	0.6
243.10982	1.6
245.11417	0.6
247.12985	2.1
250.65498	0.5
252.09924	0.8
263.10394	1.2
267.09698	0.8
275.20770	0.5
278.08002	0.8
280.13065	1.3
285.10959	0.6
299.14041	0.8
308.12793	0.7
323.10046	0.8
324.08560	1.7
325.15155	1.6
326.13562	1.1
327.12930	0.5
340.12570	0.8
341.10834	2.5
342.17801	6.7
343.16074	3.0
344.14410	3.5
358.13690	1.9
361.17191	20.3
392.20450	0.8
409.17697	0.6
426.20081	1.0
440.17914	2.0
443.21497	0.6
454.19461	1.4
455.17880	0.6
455.90912	0.6
457.20438	9.2
471.22043	2.9
472.20660	2.0
489.22980	3.3
505.26282	1.3
508.66650	0.5
508.86688	1.9
513.86407	0.6
520.87000	0.7
521.06396	0.9
524.27509	0.8
524.46948	1.3
524.67029	1.0
525.27063	0.8
535.27130	0.9
535.47235	1.1
536.25134	0.5
536.66138	0.6
542.29437	0.6
550.67786	0.9
553.26282	1.4
570.28815	0.9
571.27289	4.7
579.29651	0.6
587.80212	2.4
588.30090	9.7
588.38043	0.8
588.79779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
54.60034	0.5
55.01872	0.6
55.05518	4.3
57.03429	1.8
57.07068	1.2
67.05511	8.5
68.05839	1.0
69.07077	5.0
70.06623	0.5
70.89117	0.5
71.08630	0.5
73.45063	0.4
79.05497	3.2
80.05845	0.4
81.07064	10.9
82.07388	0.9
83.05009	0.6
83.08630	3.0
85.06554	0.8
88.26182	0.5
89.06045	1.6
89.40068	0.4
91.05484	2.8
93.04686	0.4
93.07050	3.3
95.04968	0.6
95.08611	6.4
97.06563	0.9
97.10163	1.0
98.20722	1.0
105.07034	1.8
107.08588	2.1
108.08939	0.4
109.10166	2.7
111.08093	0.6
111.67504	0.5
117.07040	0.5
119.08607	1.3
121.10142	1.5
123.11713	1.2
131.08604	0.8
133.08604	0.6
133.10155	1.6
134.71866	0.4
135.11684	1.6
137.13257	0.6
145.10141	0.8
147.11726	0.7
149.13229	1.0
159.11746	0.7
160.12064	0.5
163.11183	0.4
163.14838	0.6
243.16058	1.3
249.10999	28.5
269.17633	0.5
270.17941	0.8
287.18576	1.2
288.18961	1.2
297.14362	0.5
305.13629	3.8
311.29446	0.5
337.27423	2.9
338.24258	0.5
338.27661	2.5
505.38901	0.5
506.39316	4.5
550.41791	2.5
584.55847	0.9
585.37646	100.0
586.38232	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.6
57.07076	32.9
67.05501	1.1
69.07071	2.2
70.56362	1.1
70.56704	1.0
71.07758	0.7
71.08237	1.2
71.08634	24.6
73.06554	6.9
79.05486	0.7
81.07069	1.1
83.08617	3.5
85.10184	19.5
87.04470	5.9
88.79218	0.6
89.06034	100.0
90.57751	0.7
91.05479	0.8
93.07070	1.5
95.08610	1.1
97.10149	3.8
99.11731	3.1
105.07006	0.6
107.07099	2.1
107.08612	0.7
109.10165	1.0
111.11730	0.8
113.13326	1.7
115.56934	0.6
117.09151	6.7
119.08566	1.2
122.05997	1.2
123.08136	0.7
130.08655	2.9
131.07043	1.5
133.08607	48.1
135.10146	1.0
142.25233	0.6
155.17921	4.0
161.11742	2.0
161.66824	0.7
165.08905	0.8
175.09767	1.6
177.11232	22.0
191.76013	0.7
199.20515	3.7
221.13853	4.7
227.06931	0.6
234.14807	1.6
239.14893	0.9
240.23280	1.8
243.23183	11.3
265.16400	1.2
283.17618	2.2
287.25778	7.9
309.19144	1.7
327.20023	1.4
371.23083	1.9
415.25494	5.7
481.36823	0.9
569.42566	13.0
586.45319	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	585.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.5
55.01876	0.9
55.05516	0.4
57.03440	0.5
61.02919	0.4
65.03931	0.3
67.01873	4.0
67.05507	1.1
68.05028	0.3
68.99789	2.4
69.03423	1.4
70.06596	0.8
70.90800	0.7
73.02892	0.4
79.01834	0.3
79.05491	1.4
81.03417	1.2
81.07051	1.3
83.04972	0.5
84.08147	1.2
85.02898	0.6
86.06087	0.6
86.09724	0.5
89.03912	0.5
90.61832	0.4
91.05495	2.5
93.07046	0.9
95.04967	1.1
95.08636	0.4
97.02887	1.2
97.63532	0.3
103.05479	1.4
105.03391	0.5
105.07041	6.4
107.04969	5.8
107.08586	0.5
109.02884	0.3
109.10149	0.9
111.00833	1.6
111.04465	0.8
115.05482	1.6
117.03372	0.9
117.07027	2.7
119.04952	4.7
119.08583	0.6
120.08131	0.3
121.02857	1.3
121.06501	2.7
121.10221	0.3
123.04439	2.1
125.02344	0.4
127.03998	0.7
129.06990	1.0
129.10226	0.4
131.04929	3.7
131.08575	0.7
132.05757	0.4
133.02875	5.9
133.06497	12.3
133.10101	0.5
134.07281	5.3
135.04440	3.4
135.60927	0.4
136.07611	0.4
139.03893	0.6
141.07031	0.5
145.02826	1.0
145.06499	9.7
145.07652	0.6
147.04419	6.3
147.08090	0.4
148.05188	1.4
149.02325	0.5
149.06033	1.7
151.03958	0.8
152.02080	0.4
153.01839	100.0
155.06044	0.5
157.06526	1.1
158.07278	0.6
159.04436	5.7
159.08107	1.6
160.05292	1.6
161.02394	0.5
161.05997	10.8
162.06773	1.4
163.03931	9.8
164.04674	3.0
166.07913	0.4
171.01405	0.4
171.02924	10.1
171.04422	1.9
173.05995	12.7
174.06758	0.8
175.03902	0.5
175.07561	1.0
179.03407	18.8
181.06490	0.6
182.64287	0.3
183.08060	0.4
185.06001	3.8
186.06786	1.7
187.03923	24.0
187.07489	4.6
189.05489	0.9
189.48550	0.3
191.06923	0.4
191.08527	0.6
193.69017	0.3
194.07295	0.9
197.06052	0.4
199.03862	0.8
199.07582	1.4
201.05388	0.7
203.03419	0.6
203.07050	0.5
207.07861	0.4
209.09666	1.1
211.03915	0.4
211.07396	0.5
213.05441	0.5
215.07123	0.8
217.04987	0.7
219.08052	0.6
223.07462	0.6
225.09116	0.8
227.07031	3.9
235.11185	0.4
237.09111	10.0
239.07022	1.4
240.07948	0.4
241.05109	0.8
241.08612	0.5
242.09381	5.4
243.10211	2.1
251.07094	1.6
251.10706	0.7
253.08670	0.7
255.10184	7.2
259.06094	0.8
261.09207	0.4
263.10788	1.9
265.08621	7.9
267.07007	0.5
267.10168	6.5
268.10992	0.8
269.07993	0.6
271.05978	0.4
279.07034	0.7
279.10172	14.7
280.10962	21.1
281.11746	9.5
283.06122	1.4
283.09540	0.7
287.05658	0.6
289.07083	12.4
295.06039	0.5
297.07782	0.7
297.11227	13.8
298.12024	15.0
307.05997	0.5
313.07074	67.9
314.07349	0.6
325.07025	3.7
343.08054	2.1
399.12283	0.4
433.09775	0.4
433.16470	1.3
505.84964	0.4
510.66125	0.4
511.25421	0.3
515.42474	0.3
521.46643	0.4
555.16473	0.9
567.16290	0.9
585.17603	1.1
585.27899	0.7
587.16144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.8
55.01861	2.4
55.05519	0.8
56.05033	0.7
57.03418	0.7
57.40980	0.6
61.02933	0.8
65.03920	0.8
67.01862	6.5
67.05492	2.8
68.05007	1.4
68.99783	5.4
69.03421	1.9
69.07037	0.8
70.06593	4.0
71.52053	0.7
72.08179	0.7
73.02928	1.2
79.05494	3.0
81.03413	2.4
81.07045	2.0
83.01321	0.9
83.04961	1.0
84.04491	0.9
84.08138	4.1
85.02899	2.2
86.06059	2.4
86.09708	2.0
88.06367	0.5
91.05492	4.2
93.07046	2.5
95.04960	2.3
95.08604	0.9
97.02866	1.8
97.06548	0.6
103.05470	2.3
105.07034	10.6
107.04958	7.4
107.08585	1.0
109.10175	1.2
110.07188	1.1
111.00813	2.0
111.04420	0.9
113.73733	0.7
115.05488	1.5
117.03386	0.7
117.07019	3.6
119.04950	4.4
119.08566	1.7
120.08067	0.6
121.02879	1.3
121.06535	6.1
123.04462	6.1
125.02330	1.1
127.03889	1.7
131.04932	2.6
131.08571	1.1
133.02856	5.9
133.06493	19.8
133.10187	0.8
134.07271	2.8
135.04416	4.2
136.07545	1.2
137.02306	1.4
137.06033	1.0
139.03909	1.0
143.04893	0.7
145.06502	8.3
147.04413	8.0
147.08057	1.3
148.05191	1.1
149.06000	3.8
151.03925	2.6
153.01834	100.0
157.06537	1.6
159.03264	0.7
159.04419	3.7
159.08083	2.1
161.05995	17.4
163.03914	4.7
165.05525	0.7
165.06972	0.7
171.02896	14.0
171.04317	0.8
171.76733	0.7
173.05986	11.2
175.03909	1.0
179.03404	60.1
185.06033	3.9
186.06848	0.8
187.03911	15.8
187.07545	5.6
189.05412	1.0
191.06903	0.8
191.08452	0.8
197.05969	1.2
199.03955	1.1
199.07544	1.8
201.05495	1.3
203.03429	0.8
209.09840	0.8
211.03958	1.8
213.05405	1.3
215.07103	0.9
217.05014	1.1
227.07127	2.7
227.10724	0.8
229.14340	0.8
237.05508	1.2
237.09096	5.5
239.07021	2.2
241.04955	1.1
241.08783	1.2
242.09314	4.0
243.10201	2.0
247.07521	0.7
249.09093	0.8
251.07072	2.5
253.08611	2.1
255.06435	1.3
255.10164	15.6
255.12805	1.1
263.10648	0.8
265.04959	0.8
265.08597	4.0
267.06943	1.1
267.10190	5.6
268.10950	1.7
279.06708	1.9
279.10114	10.3
280.10950	8.0
281.08606	1.1
281.11694	11.0
283.06052	3.0
283.09692	0.9
287.05435	1.4
289.06958	5.3
295.06009	2.3
295.09241	0.7
297.11209	9.9
298.12006	9.2
307.06039	1.7
313.07056	19.7
325.07062	5.1
343.08188	0.7
377.13950	2.8
403.15524	2.4
429.13092	3.2
441.13687	1.5
449.26093	0.7
459.14618	0.9
461.12222	3.6
473.12585	0.8
491.13449	3.0
499.21799	1.3
537.16187	0.9
555.16522	22.8
567.16412	4.0
580.77411	0.8
585.17358	7.7
585.28064	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	584.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01862	1.4
55.05515	14.4
57.03444	6.8
57.07072	3.7
59.04997	2.3
65.03937	1.8
67.05507	92.1
69.07067	17.0
69.71855	2.0
69.72265	3.2
71.04993	16.9
71.08633	1.3
76.41573	0.9
79.05492	17.0
81.07055	47.7
83.04984	2.9
83.08620	10.8
85.06535	2.2
85.10167	1.5
85.77800	0.9
88.98278	0.9
89.06037	6.2
90.90318	1.0
91.05487	17.2
93.07047	20.2
95.04982	3.0
95.08609	34.0
97.06538	3.5
97.10179	3.0
99.08082	1.4
105.07024	8.0
107.08601	9.6
107.61128	1.0
109.06519	2.0
109.10157	56.0
111.08090	2.7
117.07062	2.3
119.08578	12.9
121.10152	7.8
123.11710	5.3
125.09570	1.0
131.08585	1.0
133.08592	2.6
133.10094	5.5
135.11678	7.4
137.09622	7.9
137.13217	1.8
139.45465	1.0
142.07712	1.0
143.08537	2.1
145.10153	3.4
147.11667	3.7
149.13316	1.4
151.11223	1.2
155.10721	2.5
157.10156	1.3
161.13254	1.7
163.11244	2.0
168.11943	0.9
173.11797	5.6
175.14825	1.0
177.11189	1.9
181.12247	1.7
243.15950	2.3
245.22539	1.1
255.15993	2.4
263.23764	3.2
287.18512	17.2
300.29041	1.0
311.29532	2.0
337.27377	31.3
371.22955	2.6
385.44910	1.1
473.36069	1.2
491.37338	100.0
492.37015	1.4
505.38834	3.6
517.38782	5.6
549.41486	47.8
584.41010	1.3
584.55768	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	583.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.2
55.61403	0.8
57.03412	1.0
57.07087	1.0
59.76873	0.9
66.70636	0.7
67.05508	10.5
69.07059	3.1
69.87924	0.8
71.52951	1.2
76.10802	0.9
79.05482	6.4
81.07062	9.1
81.37010	0.9
83.08619	2.0
85.06512	0.8
91.05490	4.7
93.07056	6.9
95.08618	7.4
96.09038	0.9
105.07030	3.3
107.08598	3.6
109.10176	2.0
112.68967	0.8
117.07079	0.8
119.08578	3.2
121.10183	4.1
123.11726	1.5
129.07021	1.3
131.08539	2.1
133.10139	2.9
135.11694	1.9
145.10110	1.0
147.11723	1.8
149.09648	1.7
157.10150	1.5
249.10982	28.7
267.15942	1.1
305.13828	2.4
335.25885	1.6
337.27161	0.9
338.27692	2.5
530.38989	2.9
548.40173	2.7
583.35992	100.0
584.36261	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
56.05031	0.7
57.03429	0.5
57.07075	0.7
58.99575	0.8
59.08881	0.5
61.01145	0.7
61.42393	0.4
68.05008	1.2
69.46535	3.1
70.06591	2.7
71.05797	0.6
71.06123	7.4
71.45875	0.4
72.04510	3.2
73.02911	0.9
74.00658	1.7
76.02223	1.1
76.04019	1.2
77.00634	6.9
78.03397	0.4
78.03786	2.9
82.06579	0.7
83.06096	1.2
84.04511	5.9
84.08148	3.2
85.02886	0.7
85.04028	5.3
85.06528	1.0
86.00666	1.1
86.06085	4.4
86.09707	1.1
86.55696	0.5
92.01701	2.1
92.98327	3.4
95.04948	0.5
99.05557	2.1
102.03758	3.9
103.02193	0.8
107.99443	0.7
109.07637	2.2
110.00971	2.0
112.03992	0.8
113.03503	2.5
113.06000	1.1
114.03739	1.2
115.08714	0.8
118.03243	22.2
120.04848	2.4
121.02856	3.6
122.03195	1.1
124.07626	1.0
126.92251	0.5
129.06660	1.0
129.10243	1.1
130.03236	6.4
130.04984	6.1
130.08572	0.6
131.03615	1.0
131.04527	11.2
131.06383	2.1
132.04839	2.8
133.04913	0.5
134.00940	1.8
135.05580	0.7
136.07602	0.7
139.03204	1.2
140.01624	0.9
140.51443	0.5
141.06566	0.7
142.08661	3.8
143.04610	0.7
145.06142	1.0
145.58121	0.6
147.05869	43.5
149.07442	17.4
150.00435	1.0
151.98366	0.5
153.06610	2.9
155.04550	0.9
155.08138	3.8
157.10976	0.6
159.02245	1.9
159.05885	0.8
160.00658	1.1
163.03902	0.5
164.01991	1.0
175.05360	1.1
176.02032	1.3
177.03290	22.7
179.03076	0.7
179.71294	0.5
181.04649	5.6
181.06116	3.3
183.11311	1.1
184.09698	2.5
185.03780	12.3
186.02103	0.7
187.05417	0.8
199.07155	3.2
205.04681	2.9
209.00487	4.2
213.12312	1.1
217.80338	0.6
222.07303	0.9
231.04359	27.0
239.06506	0.7
243.04320	0.8
254.06274	3.0
256.09399	0.6
257.07678	1.1
259.11023	1.3
261.12625	1.1
268.07889	1.6
277.12350	0.6
288.06424	4.4
292.05344	0.5
293.09882	2.3
296.07370	1.5
305.66748	0.5
307.08783	0.9
308.07291	2.1
325.09982	100.0
361.10199	0.5
363.23578	0.6
376.07541	0.6
379.11154	4.2
383.10028	0.5
391.10886	1.0
412.09589	0.8
428.10391	0.5
436.13275	7.6
437.15314	8.3
454.14273	29.5
455.16278	1.5
509.17413	2.8
523.23419	0.6
548.18860	0.7
566.19415	10.5
576.43781	0.6
579.59650	0.6
584.20557	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	583.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52133	0.4
55.01867	0.9
55.05512	0.9
56.05041	2.6
57.03450	1.6
58.06604	1.0
60.04528	1.2
60.05655	0.7
61.02945	0.8
61.71161	0.3
66.64114	0.3
67.05506	0.8
67.32441	0.3
68.05038	4.0
69.03441	1.7
69.07081	0.6
70.06600	100.0
71.01371	0.7
71.04993	0.5
71.06927	1.0
72.07761	0.5
72.08163	9.1
73.02929	1.5
74.06088	4.5
79.05495	0.4
80.05025	0.4
82.06613	0.7
83.06124	0.5
84.04516	2.7
84.08153	13.0
85.02914	2.9
85.07691	0.9
85.08484	0.7
86.06079	7.4
86.09715	15.6
86.10249	0.8
87.05630	0.5
87.06403	0.4
88.04041	0.3
91.05499	1.4
94.06605	0.5
95.06059	0.5
96.04514	0.6
96.08141	0.8
97.02906	1.2
98.06077	0.5
98.07175	0.4
98.09710	4.4
99.09988	0.4
100.07648	0.7
102.05576	0.7
110.06126	0.3
110.07175	2.8
110.09698	0.7
111.09243	0.5
112.03996	0.3
112.07629	0.5
112.08773	0.9
113.07163	1.2
114.05527	1.6
114.06719	0.5
115.03978	1.0
115.08706	2.6
116.07108	16.9
119.04970	1.2
120.08112	2.8
121.06548	1.1
121.08503	0.6
126.12814	0.5
127.03968	0.9
129.10258	3.5
130.05023	1.5
130.10738	0.4
131.08554	0.4
133.05034	0.7
135.06859	0.4
136.06242	0.5
136.06580	0.6
136.07607	4.1
137.07077	0.5
137.08006	0.7
138.06654	0.9
138.09262	0.6
138.12804	0.9
139.08696	0.7
140.14349	2.1
142.08604	0.4
143.11806	8.2
147.04446	1.5
147.07724	0.4
148.07564	0.7
153.10252	0.4
155.08177	0.9
155.09344	0.7
155.11842	0.5
158.15530	0.5
159.07838	0.4
166.08679	1.6
169.13382	31.9
171.11313	2.1
173.12952	0.6
176.07077	0.6
181.09767	0.7
183.07675	0.8
183.11389	0.4
183.15004	0.8
187.10872	0.8
197.12871	16.1
199.10809	2.1
201.12332	4.2
205.13535	0.5
207.08824	0.4
208.09692	1.6
209.10399	1.2
211.14128	0.4
214.15504	1.6
217.11858	10.6
226.13158	0.4
227.10405	1.4
237.19804	0.4
240.13544	0.4
241.09814	0.4
254.15070	1.4
258.14600	0.8
268.16541	5.1
272.16211	0.7
280.16672	3.0
287.10522	0.5
298.17639	15.6
305.11310	0.8
311.17221	0.6
326.20999	0.4
337.18561	0.5
339.24005	2.1
351.20453	0.6
355.19849	4.1
357.10834	1.8
357.21509	1.0
367.23422	4.7
369.21429	0.9
389.13647	0.9
395.23087	3.1
413.23999	16.4
423.26038	0.6
440.28741	6.8
441.90332	0.4
450.27325	2.5
468.28268	18.7
470.27185	1.0
499.86288	0.4
503.26157	0.8
503.46432	1.0
519.06744	0.4
519.26447	0.8
530.07440	0.6
565.24036	0.4
565.33350	0.6
573.06543	0.4
573.79706	1.0
574.30054	1.0
583.27368	1.1
583.35919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90778	0.7
51.14822	0.6
53.85696	0.7
55.01874	2.8
57.03438	1.6
60.60237	0.7
64.71792	0.6
65.03931	3.3
68.05019	0.9
68.99798	6.1
69.03436	1.2
70.06604	1.0
71.20715	1.3
81.03426	1.3
84.08150	1.6
85.02905	3.8
86.06073	1.9
86.09677	0.8
91.05493	2.2
92.80578	0.7
93.03418	1.9
95.04977	1.6
97.02900	4.7
103.05479	0.7
107.04963	3.3
109.02894	2.7
111.04446	2.8
117.06990	0.9
119.04963	3.1
121.02881	100.0
123.04466	1.6
131.04951	1.2
133.02814	0.7
133.05006	0.7
133.06522	1.0
135.04387	3.4
136.07594	0.7
137.05873	1.0
139.03920	2.9
145.06520	1.2
147.04422	3.2
149.05994	1.3
151.03903	3.9
153.01837	2.6
155.54358	0.7
157.06499	1.0
159.04456	1.8
161.06023	2.5
163.03931	19.0
165.01831	4.5
165.05595	0.8
171.04439	0.8
173.06044	2.5
175.03912	4.3
177.01828	5.3
177.05498	2.8
178.38231	0.7
179.03448	0.8
181.04984	1.6
183.02881	1.2
187.03949	4.0
189.01886	3.7
189.05507	2.5
191.03413	3.5
193.04990	1.3
195.02902	4.7
197.06206	0.8
199.03860	1.0
201.05522	3.7
203.03355	5.0
203.06993	0.8
205.01395	0.9
205.04993	8.0
207.02904	6.0
213.05516	1.5
215.03407	4.9
217.05006	7.2
219.02890	8.2
219.06538	1.1
221.04530	1.7
227.03368	1.8
229.04979	7.7
231.02921	13.0
231.06625	1.7
233.04503	2.6
235.04033	0.7
235.06148	2.7
237.03836	1.4
241.04967	2.7
243.02960	7.0
243.06647	2.3
245.04437	2.6
247.06064	5.6
249.03940	5.8
255.02905	2.3
255.06633	1.2
257.04526	2.3
259.06018	4.3
261.03979	14.4
265.07156	2.0
269.04504	2.6
271.06049	6.1
273.03995	6.7
279.05142	2.6
283.05963	3.0
285.03949	7.9
287.05594	1.5
289.07053	1.6
291.05014	7.9
295.06046	7.3
297.04013	2.0
301.07138	2.9
303.04898	1.7
307.05728	3.8
308.07007	0.8
309.06232	7.6
313.07059	3.3
315.05002	6.5
319.08221	1.7
321.07336	1.6
325.07111	3.5
327.04712	3.3
331.08090	2.4
333.05957	4.0
335.09314	0.9
337.07101	2.6
339.07346	1.3
345.06165	5.4
349.07263	3.6
355.08475	1.7
357.06155	3.0
361.06866	2.2
363.07135	7.2
367.08362	2.4
375.07138	6.5
379.08167	9.6
391.08102	3.5
393.08197	15.2
397.09235	4.9
403.09076	0.8
409.09253	8.7
411.09329	15.1
415.10455	3.8
421.09259	2.6
427.10196	7.8
429.10464	2.1
433.09186	3.7
439.10486	1.3
445.11453	6.8
447.10754	0.7
451.10318	2.1
457.11392	3.6
463.10211	5.7
464.56937	0.8
469.11313	3.3
475.11243	2.5
481.11285	11.6
493.11102	4.5
499.12399	2.7
511.12491	9.2
529.13562	5.8
547.14496	4.1
565.15607	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	582.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.6
55.01883	2.6
55.05516	23.6
57.03450	15.8
57.07071	3.8
66.31505	2.1
67.05511	56.9
69.03424	3.8
69.07079	20.9
69.28489	9.0
69.28910	6.5
71.04987	2.3
79.05499	32.7
81.03428	36.2
81.06594	3.3
81.07066	61.9
83.04984	10.7
83.08627	26.2
85.02903	14.3
85.06548	3.2
87.04473	2.6
91.05494	26.1
93.07043	24.0
95.04978	19.6
95.08067	3.1
95.08620	39.7
97.06556	6.9
97.10178	9.2
99.08092	2.4
105.07034	16.6
107.04967	5.6
107.08603	13.6
109.06533	5.4
109.10157	13.3
111.08075	6.4
113.06030	1.8
117.06979	2.7
119.08608	17.6
119.26987	2.2
121.06525	2.3
121.10168	10.8
123.08039	2.7
123.11701	6.3
125.09651	2.8
129.07007	8.4
131.08595	8.3
133.10147	11.7
135.11726	4.6
136.37581	1.7
137.09711	2.2
137.13194	2.9
140.78030	1.8
145.10115	3.0
147.11726	12.4
149.09633	5.1
157.10147	8.4
161.13258	3.5
175.11197	9.3
193.12262	26.9
211.13297	46.9
263.23770	3.4
267.15927	15.3
269.13565	1.9
285.17004	46.3
287.15057	3.0
335.25537	2.6
337.27383	100.0
418.25876	2.1
529.38849	15.6
547.40027	82.2
582.40704	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99248	1.3
53.03941	4.5
54.00200	1.3
55.01868	1.9
55.05513	18.9
57.03446	11.9
57.07071	4.2
60.07871	1.3
60.55496	1.2
65.03946	2.7
67.05509	46.0
69.03423	3.3
69.07073	17.2
69.14881	4.7
69.15298	10.4
71.04995	4.1
71.08649	1.6
75.98610	1.4
78.63036	1.2
79.05496	21.0
81.03419	38.7
81.07062	55.8
83.04974	11.3
83.08627	22.7
85.02921	12.4
85.06548	2.9
87.04465	2.6
88.15079	1.3
89.06020	2.9
91.05491	28.1
91.11876	1.3
93.07047	21.3
95.04974	19.0
95.08613	33.4
97.02901	2.2
97.06554	2.6
97.10175	7.0
99.08109	1.7
105.07034	21.0
107.04958	4.3
107.08623	11.5
109.06522	4.5
109.10168	13.1
111.04474	1.4
111.08073	8.7
113.06060	2.4
118.47378	1.5
119.08589	16.1
121.06474	2.0
121.10136	11.5
123.08056	3.6
123.11699	6.2
125.09631	2.2
129.07007	6.8
131.08553	10.6
133.06540	2.3
133.10161	12.0
135.11734	2.4
137.09589	1.5
137.13261	2.7
142.07776	2.8
145.10130	3.1
147.08026	2.5
147.11678	15.1
149.09627	5.5
157.10153	15.0
159.11722	2.1
165.12814	3.0
171.11665	2.0
175.11208	9.6
193.12251	33.0
211.13298	49.3
245.22772	1.7
263.23489	1.9
267.15887	15.0
272.62756	1.4
277.37729	1.5
283.26288	3.3
285.16977	42.9
286.03625	1.6
337.27371	67.6
367.97012	1.4
529.38391	10.0
547.39948	100.0
557.30817	1.4
582.40448	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	582.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99248	1.3
53.03941	4.5
54.00200	1.3
55.01868	1.9
55.05513	18.9
57.03446	11.9
57.07071	4.2
60.07871	1.3
60.55496	1.2
65.03946	2.7
67.05509	46.0
69.03423	3.3
69.07073	17.2
69.14881	4.7
69.15298	10.4
71.04995	4.1
71.08649	1.6
75.98610	1.4
78.63036	1.2
79.05496	21.0
81.03419	38.7
81.07062	55.8
83.04974	11.3
83.08627	22.7
85.02921	12.4
85.06548	2.9
87.04465	2.6
88.15079	1.3
89.06020	2.9
91.05491	28.1
91.11876	1.3
93.07047	21.3
95.04974	19.0
95.08613	33.4
97.02901	2.2
97.06554	2.6
97.10175	7.0
99.08109	1.7
105.07034	21.0
107.04958	4.3
107.08623	11.5
109.06522	4.5
109.10168	13.1
111.04474	1.4
111.08073	8.7
113.06060	2.4
118.47378	1.5
119.08589	16.1
121.06474	2.0
121.10136	11.5
123.08056	3.6
123.11699	6.2
125.09631	2.2
129.07007	6.8
131.08553	10.6
133.06540	2.3
133.10161	12.0
135.11734	2.4
137.09589	1.5
137.13261	2.7
142.07776	2.8
145.10130	3.1
147.08026	2.5
147.11678	15.1
149.09627	5.5
157.10153	15.0
159.11722	2.1
165.12814	3.0
171.11665	2.0
175.11208	9.6
193.12251	33.0
211.13298	49.3
245.22772	1.7
263.23489	1.9
267.15887	15.0
272.62756	1.4
277.37729	1.5
283.26288	3.3
285.16977	42.9
286.03625	1.6
337.27371	67.6
367.97012	1.4
529.38391	10.0
547.39948	100.0
557.30817	1.4
582.40448	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	582.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.3
55.05503	11.4
57.07069	8.0
66.48527	2.9
67.05501	18.0
69.03412	4.8
69.07043	6.3
71.52907	4.9
72.49834	3.4
74.06092	5.6
79.05495	19.0
81.07069	27.3
83.08572	3.5
91.05489	34.2
93.07062	27.5
95.04975	54.6
95.08609	18.3
105.07034	54.3
107.08593	31.5
109.06539	10.5
109.10153	9.8
115.05422	5.2
117.07002	14.0
119.08591	52.7
121.06506	3.5
121.10155	26.1
123.08051	12.1
123.11669	5.8
128.06210	16.4
129.06995	14.4
130.07825	7.5
131.08572	34.6
132.09370	4.5
133.06482	6.9
133.10143	28.3
135.08043	13.0
135.11687	9.7
137.09642	7.4
141.07005	10.3
142.07796	17.1
143.08554	42.2
144.09390	11.1
145.06427	4.0
145.10133	48.9
147.08043	5.6
147.11703	16.4
149.09584	9.0
154.07797	3.9
155.08545	19.5
156.09369	13.3
157.10132	46.1
158.10889	8.6
159.08043	10.5
159.11665	25.5
160.08737	3.6
161.09615	15.4
165.07016	7.7
167.08495	10.3
167.10689	4.0
168.09341	8.6
169.10159	24.7
170.10965	4.3
171.08012	4.4
171.11713	26.9
173.09627	11.8
173.13258	10.4
175.11264	8.5
179.08540	12.8
180.09218	5.2
181.10158	19.9
182.10873	10.7
183.11682	22.6
185.09605	7.7
185.13254	12.9
187.11197	9.5
187.14842	5.8
189.09171	5.5
189.12746	5.0
191.14362	7.8
192.09285	6.8
193.10126	13.1
194.10933	5.9
195.11716	29.2
196.12410	7.4
197.09702	5.1
197.13249	20.8
199.11253	13.5
199.14850	11.2
200.11906	3.3
201.12849	4.9
203.14247	4.7
205.10002	4.0
206.10895	7.8
207.11731	21.3
208.12579	4.4
209.13277	17.7
210.10329	6.1
211.11179	8.8
211.14833	12.6
212.15480	3.6
213.12788	7.9
215.14316	5.4
218.10872	3.8
219.11658	8.3
220.12701	4.2
221.13210	13.7
222.10413	3.9
222.14087	5.2
223.11191	4.8
223.14845	13.0
225.12772	13.2
227.14362	12.6
231.11623	5.0
232.12386	8.3
233.13168	8.9
235.14716	5.7
237.12714	5.7
239.14346	5.4
241.15916	10.7
245.13277	8.4
246.13898	4.0
247.14871	10.7
249.12689	4.0
249.16364	7.4
251.14566	5.0
253.15733	5.6
255.17377	5.5
259.14743	7.3
263.39740	4.1
271.17038	4.1
273.16003	4.3
273.18546	47.0
275.14206	3.7
279.17300	4.9
283.26343	5.0
285.16800	6.5
286.19269	4.5
289.15836	10.2
289.19202	4.2
291.17322	7.7
291.20764	3.8
299.20184	22.3
319.20407	5.0
337.21851	19.1
337.27426	7.6
351.22952	6.2
352.23969	100.0
355.20090	4.3
363.23428	7.8
365.24612	6.4
429.27878	4.7
434.28156	7.1
444.30161	42.7
445.31085	7.1
490.34402	15.0
549.37238	3.7
582.40637	92.0
582.54382	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.05513	10.1
56.37673	1.8
57.03447	2.1
57.07074	6.0
59.05006	1.9
65.03947	3.5
67.05513	19.3
69.03434	5.6
69.07078	14.4
69.69422	12.1
70.98583	1.8
71.04988	1.8
79.05500	22.1
81.07060	27.8
83.04973	5.8
83.08630	5.0
85.06551	2.6
91.05486	32.2
93.07054	43.6
95.04979	15.6
95.08620	24.7
97.06525	5.2
103.05467	4.9
105.07040	43.2
107.05006	2.6
107.08614	32.1
109.06522	7.3
109.10160	14.9
115.05487	4.8
117.07044	9.3
119.08595	46.8
121.06519	6.4
121.10149	46.7
123.08066	14.7
123.11735	7.9
125.09713	3.0
128.06209	4.6
129.07027	10.1
130.07817	5.1
131.08586	20.1
133.06538	4.0
133.10143	71.7
135.08061	12.4
135.11723	12.6
137.09625	5.5
139.11279	2.4
141.07005	7.0
142.07732	10.6
143.08557	22.0
144.09319	4.4
145.10129	34.8
147.08063	13.5
147.11711	10.2
149.09605	14.4
151.07523	10.4
151.11188	2.1
154.07816	2.5
155.08580	8.2
156.09348	9.7
157.10139	27.7
158.10933	5.3
159.08134	10.6
159.11681	17.4
161.09653	8.3
161.13248	5.5
163.11172	3.8
165.07031	4.9
165.09180	13.6
165.10341	2.0
166.07837	2.4
167.08539	4.9
167.10693	58.1
168.09402	3.3
169.10139	13.3
170.10980	3.4
171.08141	2.0
171.11711	19.9
173.09648	7.5
173.13272	28.3
175.11191	3.9
175.14862	5.2
179.08569	5.8
180.09331	2.7
181.10089	10.8
181.12227	5.1
182.10883	4.1
183.11699	11.6
184.12543	2.8
185.09695	4.7
185.13301	9.0
187.11226	4.1
187.14873	8.3
189.12825	6.8
191.14333	3.6
193.10233	9.2
193.11914	2.3
194.10938	6.2
194.78859	1.9
195.11714	10.6
196.12410	3.5
197.13254	13.0
198.14226	2.3
199.11154	4.5
199.14754	10.0
201.12807	4.4
201.16367	2.6
203.14404	6.3
206.10960	6.9
207.11743	7.7
207.13812	4.3
208.12465	4.4
209.13373	9.4
209.15276	2.9
210.14253	2.1
211.11133	3.3
211.14890	8.4
213.12885	5.3
213.16290	2.8
215.14398	8.3
219.11765	4.7
220.12592	4.1
221.13318	7.9
221.15448	27.9
222.14064	2.0
223.11366	2.1
223.14885	6.8
225.12738	3.6
225.16464	3.6
231.11774	3.4
233.13226	5.2
233.15428	23.4
235.14856	6.7
237.16403	4.2
239.14314	2.8
239.17958	4.4
241.16141	2.7
244.12614	2.3
245.13426	4.2
246.14087	2.9
247.14798	3.6
247.17046	2.3
249.16537	2.2
251.14421	3.9
251.17877	2.3
257.18964	2.2
258.14166	2.1
259.14783	2.6
260.15524	2.8
261.16257	4.2
263.18011	3.8
267.17358	2.3
269.18994	2.8
270.14301	2.5
273.16190	2.8
273.18756	4.0
275.17789	3.7
277.19592	2.8
279.17407	2.7
312.20996	6.2
315.20956	2.5
331.24277	2.4
347.24036	3.1
359.23599	3.6
359.31915	2.0
373.25183	4.6
383.27805	2.0
393.24304	3.8
399.27536	2.1
407.29483	4.4
525.34143	3.6
545.37903	5.0
563.38855	16.7
581.39911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.05508	13.2
56.34698	2.4
57.03431	3.4
57.07068	7.1
59.05016	2.8
65.03939	4.8
67.05506	37.4
69.03437	7.0
69.07066	20.9
70.77242	5.6
71.04993	2.3
79.05495	22.2
81.03405	2.9
81.07065	38.6
83.04975	3.7
83.08614	4.8
85.06536	5.2
87.04469	5.1
87.91275	2.8
91.05489	28.5
93.07049	45.8
95.04967	13.3
95.08603	30.2
97.06551	5.0
97.10143	3.3
105.07037	56.4
105.45711	2.2
107.08598	35.4
109.06516	7.9
109.10171	23.6
116.06228	2.2
117.07018	12.6
119.08584	44.0
121.06541	8.8
121.09324	4.9
121.10153	55.6
123.08061	12.4
123.11727	10.1
125.06044	3.2
125.09590	3.5
128.06259	4.4
129.07022	8.9
130.07820	4.1
131.08589	28.3
133.06491	3.7
133.10135	79.8
135.08055	10.3
135.11691	18.4
137.09615	10.1
141.07039	4.2
142.07741	11.2
143.08583	20.2
144.09315	3.8
145.06480	4.0
145.10118	36.6
147.08061	15.3
147.11655	14.0
149.09598	14.1
149.13293	3.6
151.07588	6.6
155.08595	8.5
156.09373	9.2
157.10138	35.3
157.52367	2.8
158.10893	7.4
159.08044	7.6
159.11687	15.2
161.09666	10.0
161.13332	7.2
163.11241	4.2
165.06982	3.9
165.09126	17.6
167.08562	4.6
167.10670	59.1
167.92766	2.2
169.10205	10.3
170.10950	4.2
171.11682	20.1
173.09584	5.8
173.13261	19.8
175.11206	3.9
175.14854	9.8
179.08633	6.0
181.10181	10.7
181.12263	7.1
182.10973	5.7
183.11690	17.0
185.09561	3.3
185.13298	12.0
187.11198	6.1
187.14847	10.9
189.12807	9.2
190.55894	2.3
191.14352	4.2
193.10179	7.3
194.10957	4.6
194.85007	3.3
195.11761	12.1
197.09776	2.8
197.11717	2.5
197.13315	9.9
199.11229	3.2
199.14865	9.7
201.12740	3.0
201.16516	3.7
203.14308	6.8
206.10973	3.9
207.11740	7.9
207.13731	3.1
208.12497	3.7
209.13341	10.1
211.11121	3.4
211.14896	7.3
213.12729	4.9
213.16422	4.2
215.14371	7.7
220.12474	3.3
221.13264	9.4
221.15315	42.9
222.14032	3.3
223.11595	2.9
223.14792	5.5
225.12755	4.7
227.14461	3.4
227.18059	3.0
231.11790	3.3
233.13234	6.1
233.15337	27.2
235.14940	6.8
237.16434	4.7
239.18068	5.7
241.19650	3.5
245.13371	3.2
245.22594	5.6
246.14145	4.5
247.17084	3.1
257.13303	3.7
259.14801	3.1
261.16409	5.6
263.17828	3.1
263.23761	10.0
267.16940	2.4
281.19241	3.7
289.19363	3.3
311.20166	4.0
313.27887	2.6
333.22031	2.9
337.27283	4.8
347.23727	3.9
359.23746	4.4
361.24936	3.3
373.25278	4.1
393.24310	8.4
399.26907	4.0
407.29565	5.9
453.33316	2.9
525.33936	2.5
545.37872	4.9
553.40204	4.0
563.38812	22.3
581.39911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1506
Annotation	Neocarlinoside
Peak:m/z	Relative Intensity
55.01871	4.8
57.03431	2.1
61.02930	3.0
69.03423	1.5
70.06604	7.6
70.90750	2.3
70.91080	1.2
74.06086	1.1
81.03425	2.0
84.04526	1.5
84.08135	4.7
85.02921	4.7
86.06075	2.3
86.09718	3.4
91.05540	1.2
93.03441	1.5
97.02924	1.4
98.09682	2.9
107.04982	2.6
109.02876	1.3
110.07168	1.9
114.05398	1.1
120.08096	1.2
121.02889	2.9
129.10252	2.0
135.04466	7.5
136.07582	2.9
137.02353	27.8
137.03416	1.9
147.04391	1.6
159.04424	2.1
161.02353	5.2
163.03929	2.0
177.01863	5.4
177.05379	1.2
179.03442	2.9
187.03964	3.0
187.59131	1.3
189.01859	8.5
189.05522	2.0
191.03413	4.5
195.02917	3.1
199.03880	3.0
201.01907	2.3
201.05446	1.5
203.03387	15.7
205.05009	2.5
207.02763	5.8
215.03419	5.8
217.04996	6.2
219.02934	4.2
221.04521	2.3
227.03424	3.3
229.04948	1.9
231.02943	2.0
233.04454	2.5
236.69168	1.3
243.02960	2.1
245.04465	3.3
255.02873	2.2
259.06039	1.6
268.07211	1.4
271.06180	2.4
273.03906	2.2
277.59970	1.1
282.29031	1.1
283.06113	2.7
284.06735	3.5
293.07968	1.5
295.05994	3.6
296.06781	2.3
297.07578	4.0
299.05594	5.9
300.06351	2.0
303.44485	1.4
307.06009	2.2
308.06790	2.0
309.07584	5.1
310.04794	15.2
310.08261	2.2
311.05533	63.7
312.06500	2.5
313.07129	6.7
319.06009	1.3
321.07562	1.9
322.08551	1.7
323.05557	42.7
323.09018	2.1
324.06247	13.9
325.07031	13.4
329.06540	3.1
333.07593	4.7
335.05447	4.5
335.09140	1.2
336.06302	8.6
337.07074	41.4
338.07922	7.5
339.04910	2.8
339.08664	4.4
341.06583	55.6
345.07785	3.3
347.05402	1.9
349.07068	20.3
350.07852	5.1
351.08658	18.9
352.05960	4.3
353.06589	41.1
355.08005	3.8
361.07065	9.6
363.08633	5.6
364.05878	2.3
365.06586	47.2
367.08191	23.3
371.07651	7.4
375.08594	4.4
377.06494	23.2
379.08130	23.3
383.07657	6.0
389.06506	11.5
391.08286	8.7
395.07663	53.6
401.08365	1.3
403.08179	4.8
405.09567	3.4
407.07635	52.2
409.08966	1.4
413.08838	6.5
415.08249	2.5
417.09912	2.8
419.07532	11.0
421.08954	3.1
425.08685	68.8
431.07486	7.1
433.09146	3.0
437.08801	7.7
443.09790	100.0
445.09824	1.5
449.08679	7.3
455.09665	3.1
461.10806	11.4
467.09616	6.4
473.10565	11.9
479.09778	7.1
485.10724	6.8
491.10947	10.3
497.10934	32.8
509.10846	12.6
515.11865	23.9
527.11884	64.8
545.12958	41.5
563.14099	25.3
581.15192	11.9
581.28986	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.3
55.01850	2.1
55.05515	16.1
57.03445	7.2
57.07085	2.4
65.03915	1.4
67.05510	37.9
69.03427	0.8
69.07073	16.7
70.07324	0.6
70.75609	0.4
70.75930	0.8
71.04955	2.0
71.08611	1.1
73.02898	0.7
79.05501	18.6
80.05852	0.5
80.25382	0.4
81.03391	1.8
81.07063	36.2
82.07358	0.8
83.04991	2.7
83.08623	11.1
85.06520	1.7
85.10160	0.5
91.05487	11.1
92.05748	0.5
93.07050	25.6
95.04485	0.4
95.04979	4.2
95.08614	36.6
96.08915	0.6
97.02861	1.7
97.06533	4.0
97.10165	4.6
99.04472	2.5
99.08096	0.8
105.06420	0.5
105.07047	7.2
107.04974	3.9
107.08604	18.3
108.08827	0.5
109.06506	1.1
109.10164	9.7
111.04404	0.5
111.08064	1.5
111.11715	0.5
113.09644	0.5
117.07024	4.7
119.08586	10.6
120.08887	0.5
121.06526	2.5
121.09344	0.6
121.10151	10.1
123.08060	0.9
123.11723	3.4
125.05963	1.5
125.09668	1.1
127.07462	0.5
129.07018	0.6
131.08543	1.8
133.10135	5.2
135.07999	1.3
135.11703	27.5
137.09599	0.8
137.13258	1.5
139.07526	0.7
139.11142	0.4
143.08507	0.7
145.10133	14.3
146.10446	0.5
147.11714	2.9
149.09703	0.4
149.13249	1.2
151.07475	0.5
153.12737	0.9
161.13213	1.8
161.14494	0.4
163.11189	30.2
163.14839	0.9
165.12743	0.6
173.13110	0.5
175.14819	1.1
181.12244	5.3
189.16411	0.5
193.12286	0.5
209.11705	0.8
227.12794	39.1
228.13251	0.6
245.22731	1.0
263.23718	2.0
267.16147	1.0
268.16245	0.7
275.53497	0.5
283.15411	39.2
285.16928	0.6
333.99414	0.5
335.25821	1.3
337.27383	100.0
338.27814	1.1
437.34265	0.5
438.34479	0.9
456.35336	1.1
474.36414	0.5
530.39136	5.1
545.38403	61.8
546.38330	1.1
548.40271	3.8
562.42462	0.7
580.39325	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.5
53.03938	6.4
55.01869	10.6
55.05516	27.3
56.06618	1.7
57.03439	14.6
57.07079	4.2
62.06074	1.8
62.30754	1.5
65.03934	7.5
65.49009	1.6
67.05508	100.0
67.76540	1.5
69.03410	2.1
69.07072	20.3
70.06575	1.6
71.04988	7.5
76.32198	1.6
78.24834	1.6
79.05495	71.9
81.03421	8.2
81.07059	85.2
82.07401	2.1
83.04973	19.1
83.08618	13.7
85.02918	2.9
85.06531	5.7
91.05485	41.8
93.07046	79.2
93.07644	3.9
95.01344	2.2
95.04980	17.0
95.08608	62.4
97.06525	12.5
97.10163	7.7
99.04480	2.1
99.08078	3.1
103.05476	2.5
105.04517	1.9
105.07037	32.4
107.04971	24.3
107.08595	42.9
109.06524	5.5
109.09465	3.0
109.10163	35.7
111.04442	16.3
111.08095	9.8
115.05463	3.0
117.07013	22.0
119.08582	34.7
120.72758	1.6
121.06499	7.7
121.10143	47.0
123.08079	4.7
123.11726	11.5
125.06003	2.8
125.09612	6.1
128.06157	2.1
129.06993	7.0
130.07796	1.9
131.08566	28.3
133.10129	21.4
135.08046	4.4
135.11702	34.0
137.13242	5.6
139.11205	4.2
139.93047	1.6
143.08545	6.5
145.06494	7.2
145.10133	35.4
147.08061	3.8
147.11702	14.6
149.09634	9.4
149.13248	10.1
151.11247	2.7
153.09119	2.6
153.12761	5.5
155.08559	7.7
155.92444	2.1
157.10129	6.2
158.07269	2.0
159.11652	11.5
161.09598	2.1
161.13277	6.5
163.11198	29.0
163.14781	4.1
165.12842	1.9
169.10126	2.4
171.11591	2.8
173.09624	16.2
173.11862	2.7
173.13194	10.5
175.14841	2.0
179.14308	2.0
181.12257	12.8
183.11790	2.1
185.13387	2.7
187.14789	3.6
191.10635	16.3
199.14838	3.0
201.12885	1.9
209.11720	9.2
211.15073	1.9
211.17413	1.7
227.12781	17.9
243.21094	6.7
259.20499	3.0
261.22189	23.9
265.14377	23.6
267.16028	2.7
279.23221	6.7
283.15421	45.7
285.16785	2.6
299.15158	2.3
299.23578	2.7
301.16422	25.7
317.24710	8.6
333.24307	1.8
335.25815	43.2
337.27380	3.6
337.56033	1.7
361.23932	1.9
407.28912	2.3
423.32529	2.6
433.30872	2.3
451.32144	4.2
469.33008	5.1
489.35568	4.1
515.37213	5.8
525.35577	10.6
529.37683	2.7
533.38837	2.1
543.36847	37.8
561.37860	37.5
579.38959	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	579.3893
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03943	7.4
54.83787	2.1
55.01860	7.9
55.05513	30.7
55.32247	1.8
56.81435	2.0
57.03444	10.9
57.07073	4.2
65.03922	6.2
67.05510	100.0
69.03423	3.4
69.07067	19.8
70.68411	5.2
71.04998	4.3
77.03899	3.5
79.05495	66.5
81.03411	11.7
81.07060	87.1
83.04979	20.7
83.08604	10.6
85.06528	6.8
91.05482	46.3
93.07047	70.3
95.04972	15.5
95.08612	64.2
97.06538	15.4
97.10168	8.0
99.04451	2.5
105.04485	3.0
105.07036	25.1
107.04961	22.9
107.08597	43.0
109.06509	6.7
109.10164	33.2
111.04454	20.0
111.08088	8.0
113.05997	3.5
115.05453	3.1
117.07026	18.5
119.08580	29.5
121.06479	6.7
121.10154	46.6
123.08052	4.1
123.11693	13.1
125.06001	3.2
125.09637	5.7
129.07007	7.1
130.07829	2.5
131.04964	4.9
131.08569	26.4
133.10152	18.0
135.08034	2.8
135.11699	34.1
137.09602	2.4
139.11230	2.5
143.08589	6.8
145.06482	4.4
145.10130	34.5
147.08040	3.6
147.11696	14.8
149.09624	6.9
149.13231	7.8
153.12732	8.7
155.08551	6.7
157.10065	4.1
159.11691	8.9
161.13272	8.2
163.11183	30.4
163.14830	3.9
169.10152	3.4
171.11751	3.9
173.09637	20.2
173.13277	9.0
175.14763	4.0
181.12216	17.1
183.11697	2.6
187.14783	4.5
189.11267	2.3
189.12802	2.8
191.10675	21.2
195.11546	2.3
199.14838	3.2
209.11671	11.0
227.12808	19.7
229.14296	3.3
243.21094	3.6
245.13885	3.0
261.22159	24.7
265.14374	29.9
267.15918	4.5
279.23093	7.3
283.15408	45.4
301.16461	41.5
305.45145	2.2
310.59476	2.6
317.24747	3.6
335.25766	37.3
369.02478	2.1
433.30942	3.6
451.31918	5.7
469.32953	5.7
487.33762	3.2
515.37433	9.8
525.35693	11.9
543.36865	29.2
561.30054	2.4
561.37909	32.0
579.38800	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	579.3892
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
51.42186	1.6
53.03938	7.4
55.01887	9.0
55.05515	27.1
57.03449	11.2
57.07063	5.1
61.02900	2.9
65.03931	5.2
67.05505	100.0
69.03436	4.5
69.07067	23.1
69.82129	10.9
70.06577	1.8
71.04984	7.0
71.08652	2.3
79.05495	62.3
81.03429	10.0
81.07057	91.5
83.04974	12.5
83.08610	12.5
85.02901	3.7
85.06522	4.8
91.04914	2.2
91.05483	41.6
93.07050	72.3
95.04959	12.8
95.08611	62.7
97.06538	11.0
97.10164	10.6
98.20860	4.1
99.04440	3.1
99.08078	2.2
102.33269	1.9
103.05471	2.5
105.07032	31.8
107.04948	13.8
107.08592	44.4
109.02886	3.1
109.06509	4.5
109.10162	36.5
111.04446	11.2
111.08088	6.5
114.23052	1.9
115.05421	2.1
117.07011	13.1
119.08594	31.8
121.06531	4.2
121.09337	3.8
121.10152	46.6
123.08075	5.1
123.11709	14.1
125.09617	6.0
127.03920	3.0
129.06990	7.2
131.08578	24.6
132.23648	2.0
133.10152	20.3
135.08051	2.9
135.11710	33.5
137.09625	3.5
137.13266	5.2
139.11189	6.0
141.06956	1.9
143.08601	5.2
143.33446	2.1
145.06447	4.2
145.10132	32.0
147.08041	4.2
147.11694	17.4
149.09621	8.4
149.13272	11.9
150.12346	1.8
151.11157	3.2
153.12743	5.9
155.08578	4.9
157.10133	5.2
159.11707	13.4
161.09679	2.4
161.13235	9.9
163.11185	18.4
163.14804	5.5
165.12724	2.3
167.08517	2.9
167.10678	2.6
169.10133	2.9
171.11673	7.1
173.09656	9.4
173.11844	3.9
173.13263	11.8
175.14868	3.6
177.16389	2.8
181.12218	6.1
183.11662	2.4
185.13219	3.9
187.14798	7.8
191.10678	13.2
193.12234	3.8
197.13248	3.2
199.14870	4.0
201.16342	2.3
209.11713	7.4
211.13208	2.9
227.12794	11.0
229.14345	4.5
243.21077	16.5
259.20590	2.3
261.22168	45.2
265.14380	16.8
267.15884	3.5
277.21671	5.7
279.23227	6.6
283.15414	26.1
285.16693	1.8
301.16443	17.3
315.23184	2.5
317.24667	6.3
335.25790	35.4
337.27408	4.9
338.48291	2.1
353.26810	24.2
423.32529	3.3
451.31796	5.9
469.33026	5.1
471.76920	2.3
473.19879	5.0
487.33975	3.2
489.35934	8.9
515.36957	4.1
525.35693	6.5
543.36865	25.4
561.37762	31.3
579.38666	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
55.01862	3.6
55.05507	22.5
57.03443	11.8
57.07078	6.2
65.03931	3.0
67.05508	92.4
69.03423	4.8
69.07074	20.1
71.05001	6.2
71.08593	2.9
71.52229	3.8
73.02912	3.4
79.05072	4.0
79.05495	51.8
81.03404	11.5
81.07059	100.0
83.04992	5.8
83.08620	10.3
85.02892	8.0
85.06540	3.5
85.48554	2.4
91.05476	36.5
93.06493	4.1
93.07047	54.3
95.04965	9.5
95.08608	66.2
97.06519	7.4
97.10229	4.8
98.98466	40.5
99.04460	5.9
99.08060	3.3
105.07023	32.0
107.04976	4.7
107.08594	40.8
108.07434	2.3
109.02882	13.4
109.06509	3.7
109.10155	43.9
110.03617	2.8
111.04451	4.0
111.08046	3.2
117.06997	13.9
119.08591	29.4
121.06499	2.9
121.09339	3.5
121.10143	44.3
123.08031	4.8
123.11700	19.2
127.03892	5.5
128.06276	2.7
129.06963	3.2
131.08537	26.2
133.10141	29.4
135.07988	2.5
135.11688	27.1
137.09630	4.5
137.13272	8.6
139.11166	4.9
141.07021	2.9
143.08572	3.6
145.10120	22.5
147.08015	3.5
147.11681	17.1
149.09633	4.7
149.13278	17.6
151.11238	5.7
151.14812	3.6
155.01057	40.9
155.08565	4.4
159.08026	3.0
159.11707	17.9
161.13286	9.6
163.11156	2.8
163.14818	9.1
165.12807	4.6
167.10625	4.6
169.10127	2.7
171.11681	3.5
173.13242	17.3
175.14793	8.1
177.16360	5.4
179.14195	3.8
181.12115	3.3
182.31546	2.3
183.11629	2.3
185.13237	6.3
187.14812	7.9
197.13345	3.0
207.11578	2.6
211.14780	2.7
229.14108	3.8
232.19675	2.7
243.21117	27.1
245.13727	4.1
245.22551	5.0
261.22153	92.8
263.23636	12.2
277.21548	2.9
289.21780	2.9
301.16476	5.3
303.23013	2.6
317.06287	5.1
335.25873	22.9
337.27396	31.2
353.26868	79.6
377.26834	2.7
451.21533	3.4
461.94720	2.7
507.24780	3.0
543.36621	10.0
561.28040	5.3
561.37518	17.6
579.38751	17.6
607.29803	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1712
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
57.03429	0.2
67.01859	0.4
68.05014	0.2
68.99788	0.2
69.69769	0.4
69.70181	0.2
70.06589	0.8
71.04975	0.4
72.08129	0.2
73.02897	0.2
80.17004	0.1
84.04504	0.2
84.08176	0.5
85.02918	1.0
86.06068	0.3
86.09687	0.3
91.05487	0.3
97.02904	0.3
98.09674	0.3
98.20843	0.2
104.26338	0.1
110.07163	0.1
119.04944	1.6
120.08112	0.3
121.02863	0.5
129.05470	0.2
129.10178	0.2
133.93488	0.1
136.07596	0.1
140.14285	0.3
145.02802	0.6
153.01826	4.3
163.03922	0.4
171.02876	0.1
189.26089	0.1
193.66515	0.1
197.06007	0.1
225.05443	0.3
229.05020	0.2
243.06554	0.2
247.06180	0.1
260.52582	0.1
271.06012	100.0
272.06281	0.5
322.97528	0.1
333.19858	0.1
350.60602	0.1
433.11469	0.4
500.06369	0.1
579.17102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99068	0.8
53.03939	2.8
55.01863	2.7
55.05270	1.1
55.05511	12.8
57.03448	7.0
57.07068	1.9
63.88398	0.9
65.03936	1.4
67.05509	37.3
69.03423	1.8
69.07075	10.8
69.33091	2.5
69.33499	3.6
71.04987	2.4
79.05497	30.1
81.03417	2.3
81.07061	42.2
83.04975	3.4
83.08626	7.5
91.05484	13.3
93.07051	42.5
95.04961	5.2
95.08614	44.9
97.02905	1.9
97.06519	3.7
97.10167	2.1
99.04462	0.9
103.05459	1.4
105.04498	1.2
105.07039	10.5
107.04967	4.9
107.08599	25.7
109.06551	2.0
109.10168	10.5
111.08104	1.3
117.07017	7.9
119.08603	10.1
121.06544	4.1
121.07307	0.9
121.10144	14.6
123.08054	1.1
123.11711	3.5
125.06018	1.1
131.08549	5.5
133.10139	5.2
135.08075	1.3
135.11699	32.1
137.13255	1.0
139.07568	1.1
143.08546	1.3
145.10127	20.6
147.11690	2.9
149.13268	2.5
159.11702	1.8
161.13251	1.4
163.11192	36.2
163.14813	1.1
173.13290	1.7
181.12186	5.5
187.14740	1.2
227.12798	51.2
243.21162	1.3
248.68817	0.9
261.22125	3.5
283.15408	34.6
317.24841	1.6
335.25812	100.0
528.37512	2.3
543.36829	52.8
546.38940	1.8
558.31708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.5
55.01857	5.0
55.05517	36.0
57.03439	13.9
57.07083	5.1
57.83348	2.3
59.04984	4.0
64.59889	2.3
65.03934	4.2
67.05509	86.5
69.03416	4.4
69.07069	29.4
70.09817	6.4
71.04993	13.1
71.08646	2.4
74.84306	2.1
76.55908	2.0
79.05076	4.1
79.05497	58.7
81.03423	27.5
81.07060	100.0
83.04979	5.9
83.08612	24.0
85.06533	11.4
87.04433	3.3
91.05484	53.1
93.06496	3.9
93.07052	68.2
95.04982	14.8
95.08614	62.0
97.06523	10.6
97.10149	15.2
99.08080	4.4
105.04556	2.8
105.07038	50.2
107.04967	4.8
107.08603	39.9
109.06529	5.5
109.10173	29.3
111.08073	4.2
117.07031	19.5
119.06327	2.1
119.08585	48.4
121.06487	5.4
121.10151	28.8
123.08045	7.8
123.11694	7.7
125.09626	14.4
129.07007	11.3
131.08583	28.8
133.10136	30.2
135.08020	3.3
135.11719	14.6
137.09624	5.3
137.13258	5.6
139.11194	3.5
141.06993	3.7
143.08556	13.5
145.10136	24.5
147.08080	3.5
147.11705	27.6
149.09621	5.2
149.13272	14.3
151.11206	3.0
153.09045	3.0
155.08527	8.8
157.10143	14.7
159.11665	22.7
161.13243	14.4
163.11165	5.4
163.14766	4.0
165.12788	2.7
167.08592	3.6
169.10104	8.7
171.11676	14.4
173.13274	14.9
174.50122	2.4
175.11232	4.7
175.14815	7.5
177.12701	2.7
181.10141	4.5
183.11679	8.0
184.52165	2.6
185.13246	8.2
187.11201	2.3
187.14842	8.5
189.11177	9.8
189.12727	3.4
193.12244	9.5
195.11719	4.5
197.13287	6.0
199.11392	2.3
199.13199	2.7
199.14861	4.8
201.14841	2.4
207.11687	4.0
209.13293	5.4
211.13129	3.7
227.12766	14.9
229.14299	3.4
239.16418	3.4
243.15746	2.7
243.21191	2.9
245.64001	2.4
259.20587	3.3
261.22147	7.1
267.15875	32.0
267.21130	3.1
285.22134	4.8
287.20236	3.4
287.23520	3.6
289.21487	5.2
301.25272	12.7
303.23196	4.3
305.24838	2.3
315.23117	2.5
317.24710	3.5
335.16183	2.2
335.25775	22.0
359.25732	3.5
363.25363	6.8
417.31271	8.3
421.26004	2.7
435.27188	3.2
435.32489	20.9
453.33737	18.7
471.34729	12.0
501.35953	2.3
504.06482	2.3
509.36072	9.1
527.37396	85.3
545.38385	71.8
558.80353	2.4
559.40222	16.4
577.41058	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1559
Annotation	Chamaemeloside
Peak:m/z	Relative Intensity
53.03942	0.2
55.01867	0.2
55.05493	0.2
56.05028	0.4
57.03432	0.3
60.04514	0.1
61.02918	0.1
67.01869	0.4
67.05503	0.3
68.05013	0.2
68.99819	0.3
69.03432	0.5
69.07067	0.2
70.06595	3.1
71.05009	0.2
71.06931	0.1
71.52255	0.1
72.08161	0.9
73.02906	0.3
73.05450	0.1
79.05488	0.2
79.46470	0.1
81.03424	0.6
81.07050	0.3
82.06607	0.1
83.04987	0.1
83.06104	0.1
84.04510	0.5
84.08150	1.9
85.02913	1.3
86.06060	0.5
86.09711	2.1
87.04452	0.1
87.05596	0.2
87.10025	0.1
88.04024	0.1
91.05471	0.5
93.07046	0.2
95.04967	0.1
95.08606	0.1
96.08115	0.1
97.02906	0.8
97.06494	0.1
98.06055	0.1
98.09702	0.5
99.04461	0.6
101.07146	0.1
102.05554	0.1
103.03938	0.6
103.05455	0.1
105.07035	0.3
107.04989	0.1
107.08574	0.2
108.08148	0.1
109.02901	0.5
109.06533	0.1
109.10118	0.1
110.07161	0.4
112.08681	0.2
114.05547	0.1
115.03930	0.1
115.08728	0.1
119.04957	1.4
119.08559	0.1
120.08129	1.0
121.02892	0.6
121.06538	0.2
121.08435	0.1
122.09679	0.1
127.03922	1.3
127.08678	0.1
129.01814	0.2
129.10240	0.5
130.04996	0.1
131.04898	0.1
135.08061	0.2
136.07591	0.3
140.07048	0.1
140.14348	0.2
145.02841	0.8
145.04964	0.4
145.10083	0.1
147.04396	0.2
149.10620	0.1
153.01834	3.9
158.15340	0.1
161.06007	0.1
163.03889	0.4
163.06053	0.1
166.08658	0.2
171.02919	0.5
183.14941	0.1
186.12251	0.1
187.03922	0.2
187.05986	0.2
187.10957	0.1
200.13995	0.1
203.07045	0.2
225.05438	0.4
229.04932	0.3
243.06496	0.2
247.06152	0.1
271.06012	100.0
272.06409	0.6
287.05484	1.3
289.09354	0.1
299.05673	0.1
299.16846	0.1
305.71768	0.1
306.17023	0.1
313.07117	0.2
338.65701	0.1
376.22141	0.2
415.14120	0.2
433.11322	0.1
434.12097	0.1
515.15271	0.3
538.68030	0.1
541.13422	0.1
559.14478	0.3
576.79694	0.2
577.15381	3.4
577.29968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1556
Annotation	Maysin
Peak:m/z	Relative Intensity
57.03437	1.9
61.61018	1.9
67.05486	1.8
69.03413	2.3
69.07071	2.5
70.06596	12.3
71.52811	2.7
72.08148	3.1
73.02882	2.1
81.03424	4.6
84.04498	4.8
84.08139	14.7
85.02906	7.4
86.09725	13.7
86.10157	2.5
91.05487	2.8
93.07035	3.5
95.08591	2.8
98.09673	6.0
99.04429	2.2
103.58692	2.2
105.07063	2.2
107.04962	4.0
107.08599	4.8
108.08904	2.1
109.02865	6.3
110.07184	3.6
119.04935	9.8
120.08126	2.4
121.02861	33.1
121.06487	3.8
121.10115	4.4
122.10545	2.7
127.03858	2.4
128.29491	1.9
129.10226	5.5
136.04080	1.8
136.07581	3.0
147.04378	3.6
153.01833	3.2
159.04437	2.5
162.61293	2.0
163.03876	2.9
163.11179	6.5
164.11548	3.7
177.01836	4.9
179.03352	2.9
181.12074	2.1
189.01842	12.0
191.03333	5.0
191.10721	3.1
192.10854	2.4
195.02872	6.3
199.03789	3.0
201.01813	2.1
203.03395	13.9
207.02838	7.1
209.11665	2.5
215.03415	2.4
217.04938	7.5
219.02846	3.3
221.04483	2.7
227.03395	3.4
227.12721	5.5
228.13158	5.5
229.04919	4.0
231.02818	2.4
243.02914	2.3
254.06003	2.2
255.02971	5.3
257.04214	2.2
267.06616	3.4
268.07327	5.3
270.55994	2.1
273.03806	2.8
279.06442	6.1
281.07968	3.1
283.06042	20.8
287.05487	3.3
292.07205	2.6
293.07791	4.9
294.05182	11.2
295.06018	100.0
295.09393	4.9
296.06625	5.6
297.07578	21.4
307.06003	64.5
307.09583	3.7
308.06778	13.1
309.04266	3.4
309.07578	22.8
312.06247	7.4
313.07065	4.4
317.08215	3.0
319.05957	7.3
320.06750	8.2
321.07578	39.4
322.08267	7.7
323.05472	8.5
323.09122	4.5
324.06107	3.5
325.07025	63.2
326.07904	4.2
333.07437	6.7
335.05414	6.7
335.09137	21.9
336.06180	6.0
337.03162	4.0
337.07065	45.9
339.08673	5.0
345.07654	5.9
347.05383	3.1
347.09082	9.5
349.07062	34.1
349.10925	4.2
350.07770	4.3
351.08725	12.6
353.06436	7.9
354.16144	3.1
355.08197	3.4
360.06024	2.8
361.07043	19.4
362.07690	3.4
363.08670	18.2
365.06412	5.4
365.10449	4.9
367.08026	3.1
373.07159	10.2
375.08591	7.9
377.06522	7.8
378.07117	5.6
379.08118	23.1
385.07022	6.0
387.08521	4.0
389.10312	3.1
391.08170	46.1
393.09555	5.2
403.08121	15.6
406.03085	2.5
409.09158	59.4
415.14093	2.6
417.09485	3.4
419.07492	2.7
421.09180	17.3
427.10245	24.8
433.09613	2.3
439.10263	25.9
445.09177	3.3
446.69855	2.3
457.11325	50.8
459.11017	3.6
463.10147	10.2
475.10251	6.4
481.11292	62.8
487.09955	7.7
493.11224	17.9
505.11404	18.6
511.12292	29.5
518.64868	2.2
523.12354	30.3
541.05719	2.7
541.13409	51.1
559.14197	25.6
577.29712	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	577.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03947	9.7
53.55967	0.3
55.01881	2.0
55.05516	0.4
56.05033	0.5
57.03432	1.7
61.02929	2.9
61.56958	0.3
67.01866	1.8
67.05489	0.4
68.99790	4.1
69.03430	14.6
69.07071	0.6
69.26062	2.9
70.06595	2.9
71.01362	0.3
71.04993	3.8
72.08147	0.7
73.02921	0.7
79.05509	0.6
81.03419	25.3
83.01347	1.1
83.04985	0.5
84.04503	0.4
84.08152	2.3
85.02908	10.7
86.06079	0.5
86.09705	1.6
87.00827	11.2
87.96848	0.3
91.03952	0.4
91.05469	0.5
97.02894	26.7
98.06017	0.4
98.09660	0.3
99.04456	15.0
103.03963	0.3
105.01863	6.2
105.02565	0.3
105.07080	0.3
107.04989	0.4
109.02882	52.5
111.00823	0.8
111.04450	0.4
115.03946	1.5
120.08098	0.7
121.02871	2.3
121.06455	0.4
125.09567	0.3
126.31973	0.3
127.03919	97.8
129.01840	4.7
129.10246	0.9
133.02901	0.4
133.04973	0.5
136.07597	0.6
137.02370	0.7
139.03932	0.6
141.05515	0.3
144.61926	0.3
145.04964	10.2
147.02892	3.8
147.04433	0.6
153.01826	4.0
157.06465	0.6
159.02921	0.4
165.01881	1.7
165.03127	0.3
169.04965	5.3
171.02921	0.4
171.04326	0.3
174.61632	0.4
183.02917	0.9
187.06044	4.0
195.02963	1.1
213.03885	10.0
213.05324	0.9
231.04971	24.6
241.04932	1.0
255.05058	2.9
258.05304	1.0
271.13931	0.3
273.06055	9.7
287.05502	100.0
288.05927	0.6
291.07034	2.6
397.72141	0.3
437.08896	0.4
577.28949	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.1
53.03951	2.5
55.01868	0.6
57.03431	0.6
60.87713	0.1
61.02946	0.7
61.83449	0.1
66.99301	0.1
67.01867	3.7
68.99791	1.3
69.03432	13.9
69.07051	0.2
70.06604	0.7
70.36462	0.5
71.01367	0.2
71.04994	2.8
73.02922	0.2
81.03421	21.0
83.01340	0.6
83.05003	0.2
84.08133	0.2
85.02910	9.5
86.09711	0.4
87.00840	2.5
97.02895	20.8
99.04461	5.5
99.05109	0.3
101.02371	0.2
103.03938	0.4
105.01869	0.8
105.03393	0.2
107.04959	0.3
109.02884	17.2
111.00827	0.7
115.03910	0.3
120.08112	0.3
121.02880	2.3
127.03922	44.3
128.04222	0.2
129.01849	0.2
129.10332	0.1
133.02861	0.5
137.02344	0.8
143.03404	0.2
145.04984	1.3
147.04395	0.4
153.01839	3.4
157.06506	0.5
159.02950	0.2
161.05936	0.2
165.01855	2.0
169.04993	0.8
171.03023	0.2
183.02907	0.9
185.05997	0.4
187.06024	8.3
189.05463	0.2
213.03749	1.3
213.05722	1.0
229.15416	0.2
231.04712	1.4
231.06918	0.3
241.05026	0.6
255.05013	0.2
257.04492	0.5
258.05222	1.2
259.06058	0.4
269.04416	0.3
271.05975	0.4
273.06122	1.2
285.03955	0.2
286.04675	0.5
287.05505	100.0
288.05902	0.4
291.07114	0.6
329.06616	0.6
331.82254	0.2
475.62234	0.1
542.55859	0.1
559.28162	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28111	1.1
55.01861	1.1
56.96560	10.1
68.05013	1.6
69.03437	2.0
70.06590	4.7
71.51510	1.5
72.08157	2.6
84.04488	2.5
84.08159	6.2
84.86535	1.1
84.96045	5.5
85.02901	3.5
86.06065	3.5
86.09711	1.5
97.02879	2.0
98.96942	2.7
98.97587	52.8
105.10043	1.2
110.97572	22.2
112.99174	5.5
116.98635	15.8
118.64201	1.4
119.04948	1.2
121.06490	1.9
127.00668	9.2
128.98604	16.4
129.10265	2.6
131.00192	2.5
134.99702	3.4
136.06168	1.2
136.07585	1.7
140.98602	2.8
143.00165	7.8
144.98074	1.7
145.01741	18.1
146.99689	7.1
147.04369	2.9
149.01227	1.9
152.08943	1.2
155.00143	1.8
158.99673	18.0
161.01245	6.7
163.02785	12.5
169.01755	2.1
170.99686	7.3
171.03302	1.2
177.00734	11.0
187.02800	10.9
189.00755	4.8
189.04285	2.1
201.00673	9.3
205.03835	6.1
211.02963	1.7
217.03839	1.8
219.01768	79.0
220.63251	1.1
223.02783	7.0
227.07106	1.7
228.56619	1.2
229.03915	7.8
231.05334	1.3
237.02835	88.4
241.03810	1.9
242.03328	1.5
247.04955	4.1
255.03827	3.2
260.04422	3.2
271.04877	1.7
273.08237	2.7
275.07968	1.5
278.50357	1.5
287.05588	1.6
288.05789	1.9
289.05923	50.6
307.07013	100.0
325.03629	64.7
330.08545	2.8
343.04651	10.7
349.08136	3.3
361.08203	2.7
369.08337	3.2
391.09128	1.4
438.13834	6.3
449.13199	4.5
451.11240	1.8
479.14432	2.0
539.16449	32.6
574.32733	1.7
575.31299	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	573.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01842	1.1
55.05516	2.2
57.07080	20.3
67.05502	2.7
69.07076	3.6
70.11631	2.0
71.08637	44.7
73.06556	2.5
79.05490	1.8
79.22481	0.9
81.07056	3.0
83.08610	1.2
85.10188	23.0
87.04478	14.7
89.06039	100.0
91.05489	15.6
91.07588	1.0
93.07047	11.5
94.61908	0.9
95.04962	3.3
95.08593	3.0
103.05472	4.1
105.07056	5.3
105.07681	1.0
107.04960	3.8
107.07081	1.7
107.08584	4.1
107.95703	1.0
109.10156	1.8
115.65496	0.9
117.07026	3.2
119.04934	2.7
119.08562	5.3
121.05674	2.1
121.06514	33.2
121.07388	1.9
121.10162	1.4
123.08035	1.3
127.14831	1.2
130.08646	4.1
131.07043	4.3
131.08603	2.7
133.08617	61.5
135.08064	5.4
135.11705	2.2
145.10133	1.7
147.08083	10.3
149.09627	5.0
149.13261	1.2
150.06775	2.9
163.11215	3.4
165.09125	14.9
167.10696	3.2
175.09709	2.3
175.11140	1.2
177.11258	15.5
177.12720	2.2
189.12860	0.9
191.10672	2.6
193.12308	2.3
204.93437	0.9
207.13829	1.3
209.11746	7.4
211.13380	2.2
221.13783	2.1
235.13243	1.5
247.20576	20.2
255.16086	1.1
256.26428	3.4
273.22095	2.6
289.25397	1.5
291.23206	31.3
335.25809	4.8
359.20367	1.3
403.23218	1.6
447.26059	1.9
573.39862	2.7
573.49011	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	574.468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07858	1.8
53.03933	1.9
55.05510	6.2
57.03433	5.9
57.07080	33.7
67.05508	41.1
68.95374	1.7
69.07074	11.0
71.05005	16.0
71.08635	22.6
79.05498	9.0
81.06594	3.8
81.07065	70.9
83.04967	3.1
83.08634	11.6
85.06540	7.2
85.10198	14.8
87.04472	18.9
91.05496	16.1
91.06693	1.6
93.07057	8.1
95.08607	21.6
97.06480	1.7
97.10181	5.8
98.20729	5.1
102.16335	1.8
105.07027	7.4
107.08610	9.4
107.50105	1.8
109.10152	11.4
117.07025	2.6
117.54666	1.7
121.10143	3.1
123.11730	12.3
128.39441	1.7
133.10179	10.6
149.13275	3.3
151.11191	6.2
159.11760	3.3
187.13339	2.7
198.87357	1.6
239.23665	2.4
243.93640	1.9
269.17407	4.0
283.26306	8.1
301.20099	20.2
313.27353	25.8
481.38895	100.0
495.40674	2.7
539.43103	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.05270	2.1
55.05517	32.2
57.03447	6.8
57.07078	14.9
65.03936	1.5
65.61182	1.2
67.05512	39.8
69.07073	37.2
69.52495	5.5
71.05000	21.0
71.08635	9.5
74.82319	1.1
76.58715	1.2
79.05501	15.7
81.07063	70.1
83.04977	2.9
83.08633	31.1
85.06555	8.7
85.10194	3.1
86.34418	1.1
91.05488	16.3
93.07041	11.8
95.04945	2.2
95.08613	8.5
97.06533	4.5
97.10181	21.1
105.07053	7.7
107.01430	1.4
107.08595	11.0
109.10159	5.5
111.08083	1.8
111.11717	8.0
117.07018	2.1
121.10174	3.1
123.11732	12.3
131.08592	2.5
133.10152	12.1
135.11745	3.1
140.18631	1.4
143.27196	1.3
149.13260	3.7
151.11179	5.7
159.11726	3.3
169.12112	1.7
177.12764	1.8
183.13835	3.5
187.13318	5.0
256.69592	1.5
257.17563	2.6
269.17487	5.6
301.20108	20.2
311.25839	39.2
357.06461	1.6
473.34982	1.2
479.37375	100.0
480.37830	2.3
491.37585	2.0
493.38724	3.0
505.39206	7.0
537.41565	53.3
572.44843	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	572.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.9
57.07084	32.4
57.07355	3.8
67.05500	5.0
69.07075	2.7
71.08640	29.5
73.06557	9.3
79.05521	4.4
81.07072	4.7
83.08614	4.9
85.10188	29.3
87.04465	8.4
89.06041	100.0
91.05493	5.5
93.07034	4.7
95.08606	2.9
99.11764	2.2
105.06993	1.9
107.07085	2.7
107.08597	4.4
109.10208	2.5
117.09122	9.3
119.08564	2.6
121.06544	2.2
121.10151	2.2
130.08670	2.9
130.49005	1.7
133.08620	57.9
141.16379	4.3
161.11832	3.6
166.29933	1.6
177.11252	23.4
185.18985	8.6
205.78462	2.0
221.13881	7.4
229.21613	11.5
229.33740	2.2
265.16443	3.5
273.24316	8.8
277.21683	2.3
327.19894	2.7
415.25330	6.8
555.40967	18.5
572.43292	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	572.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.1
55.01862	6.9
55.05315	3.3
55.05517	39.0
57.03426	14.6
57.07067	15.5
67.05515	51.5
69.07072	43.3
71.04987	6.2
71.08630	9.6
71.85914	3.6
72.01270	3.9
79.05492	39.1
81.03410	8.1
81.07071	39.3
83.04992	19.4
83.08611	41.3
85.06527	5.3
85.10168	4.1
90.55836	4.5
91.05493	25.3
93.07048	39.7
95.04954	14.5
95.08614	19.2
95.57658	3.6
97.06528	12.7
97.10180	28.5
99.04477	4.7
105.07018	12.4
107.04974	32.5
107.05595	6.0
107.08586	29.8
109.06532	5.6
109.10149	8.0
111.04453	29.8
111.08116	6.1
111.11701	9.5
111.62615	3.7
116.07162	3.7
117.07005	14.1
119.08604	15.9
121.06486	7.4
121.10136	35.3
125.05968	4.0
126.92526	4.5
131.05060	4.3
131.08565	14.9
135.11722	39.3
145.06464	5.4
145.10129	31.7
149.09628	8.2
149.13211	5.9
153.12773	16.4
155.08519	11.9
163.11195	43.0
173.09608	20.3
181.12186	18.0
191.10643	18.5
209.11700	14.6
227.12779	18.5
265.14319	35.7
283.15436	82.1
283.26291	5.1
301.16394	54.8
311.25833	94.5
519.36890	82.0
537.37909	100.0
572.44269	9.6
572.52411	10.7
594.75177	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	571.2687
Annotation	Artoindonesianin A
Peak:m/z	Relative Intensity
55.01861	0.5
55.05500	0.9
56.05032	0.7
57.03439	1.9
58.06583	0.4
60.45432	0.3
63.83920	0.3
66.53321	0.3
67.05501	2.4
68.05024	0.9
69.03427	0.6
69.07051	0.6
69.71920	1.5
70.06592	12.0
71.01344	0.4
71.04995	10.6
72.08160	1.8
73.02906	0.5
74.06081	0.3
75.04464	0.4
79.05042	0.2
79.05541	0.3
81.07044	0.8
83.04993	0.5
84.04503	0.5
84.08143	4.5
85.02905	10.0
86.06062	1.3
86.09706	1.4
90.08049	0.3
91.05485	1.4
96.08148	1.9
97.02869	0.3
98.09694	100.0
99.10020	0.4
107.04932	0.9
107.08605	0.3
109.10155	0.8
109.80994	0.3
110.07162	1.0
110.33124	0.3
111.04431	0.4
111.10456	0.5
112.11243	0.7
113.07137	0.4
119.04951	4.8
120.08138	0.5
121.06509	0.6
123.04436	0.4
129.05475	0.8
129.10239	1.3
136.07581	1.0
138.12781	2.7
140.14342	36.8
147.04411	36.8
158.15401	12.4
161.79910	0.3
165.05550	0.3
173.09236	0.6
185.16518	0.5
196.72505	0.3
217.50232	0.3
275.09055	0.5
296.83856	0.3
304.19073	8.0
360.78201	0.3
425.21246	0.7
450.24890	14.3
467.43854	0.3
553.23639	0.3
571.26831	85.4
572.27209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2688
Annotation	Artoindonesianin A
Peak:m/z	Relative Intensity
50.05053	0.2
50.71735	0.3
55.01859	0.7
55.05495	1.0
56.05020	0.8
57.03434	1.9
58.06579	0.7
58.47808	0.2
60.04517	0.4
60.05631	0.3
61.02925	0.3
65.03899	0.2
67.05502	2.4
68.05025	1.4
69.03436	0.5
69.07050	0.6
69.70123	1.4
70.02940	0.3
70.06591	12.5
71.01336	0.4
71.04992	8.2
71.06940	0.3
72.08150	1.5
73.02912	1.1
74.06062	0.6
75.04453	0.3
81.07040	0.9
82.06580	0.4
83.04968	0.4
83.06116	0.4
84.04496	0.7
84.08144	7.9
85.02903	11.0
86.06057	2.1
86.09692	2.2
87.04433	0.5
91.05495	1.7
96.08133	1.9
97.02873	0.6
98.09690	100.0
99.10056	0.4
101.07114	0.4
106.67525	0.3
107.04941	0.7
109.10138	0.8
110.07190	1.4
110.09666	0.4
111.04416	0.6
111.10419	0.5
112.11256	0.6
113.07079	0.3
114.05521	0.4
115.03930	0.7
119.04935	5.2
120.08120	0.4
121.06538	0.3
122.06056	0.3
123.04427	0.4
127.03962	0.4
129.05469	0.8
129.10237	2.3
133.04988	0.7
136.07576	1.0
138.12781	2.1
139.08722	0.3
140.14337	32.3
147.04405	38.8
156.13892	0.4
158.15401	12.7
165.05460	0.6
173.09258	0.3
173.12985	0.3
174.05710	0.3
201.05373	0.3
215.13834	0.4
275.09210	0.4
304.19049	8.0
338.17667	0.3
357.17764	0.5
425.20956	0.9
437.58029	0.3
449.10406	0.3
450.18387	0.6
450.24863	16.9
571.26825	85.3
572.27124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82137	1.1
53.03950	5.4
53.26116	1.1
55.01868	6.1
55.05521	6.0
56.05038	1.7
57.03441	3.4
57.07085	1.7
57.73175	1.1
59.53888	1.1
60.05592	1.5
65.03952	1.8
67.05511	9.7
68.05022	2.3
69.03428	12.4
69.07072	10.9
70.06593	19.2
70.66707	2.1
71.05000	8.6
72.08167	4.1
73.02920	3.2
76.02264	1.2
79.05503	13.8
81.03422	29.1
81.07059	27.3
81.69701	1.3
82.11150	1.3
83.05002	6.2
84.04491	3.5
84.08143	13.0
85.02915	11.0
85.03397	1.9
85.06561	8.0
86.09711	12.3
91.05493	9.2
93.07053	34.9
95.04973	4.2
95.08624	7.5
97.02911	8.3
97.06540	10.4
97.38160	1.2
98.09698	12.7
99.04462	16.1
101.05963	1.2
105.07045	28.1
107.04966	3.2
107.08600	45.5
109.02888	32.6
109.06530	11.6
109.10168	2.5
110.07179	4.0
111.04486	2.1
111.08063	6.2
113.06015	4.0
114.05490	1.3
115.08665	1.3
117.06980	2.4
119.04929	1.6
119.08585	14.7
120.08127	6.3
121.06534	16.8
121.10152	39.9
123.04618	1.5
123.08080	4.0
123.11720	3.1
125.02381	1.4
125.06055	1.7
125.09670	1.3
127.03922	35.3
127.07581	3.1
129.07114	1.2
129.10266	6.5
130.07832	1.5
131.08563	5.4
133.06479	1.8
133.10220	2.0
135.08052	7.7
135.11707	12.8
136.06235	1.4
136.07603	2.8
137.09624	1.9
139.07597	2.2
139.11147	1.8
140.14352	4.6
143.08545	1.9
145.10133	34.9
147.04385	2.9
147.08057	1.6
147.11697	6.3
149.06020	2.6
149.09641	14.2
151.07578	2.6
155.08563	1.5
158.15463	1.6
159.07982	1.4
161.09654	3.5
163.07471	1.4
163.11195	85.7
166.02669	13.8
167.10704	22.0
169.08623	21.5
173.09604	8.6
181.12259	15.3
185.11725	7.0
191.10678	56.5
209.11742	55.8
227.12801	100.0
245.13867	3.6
269.13867	18.3
271.13306	3.5
289.14383	7.3
299.12793	3.3
305.24634	1.9
317.13971	8.1
335.11230	1.4
335.14920	11.5
353.15970	51.9
371.17010	31.1
389.18079	6.3
497.08771	1.2
498.27811	1.7
501.45267	1.4
528.19403	1.6
571.24457	5.5
579.52759	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	570.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.3
50.49949	0.2
51.02375	0.5
53.03956	1.7
55.01868	2.0
55.05521	2.1
56.05022	0.9
57.03445	1.5
57.07057	0.3
58.85679	0.2
65.03938	1.3
67.05508	3.6
68.05008	0.3
69.03439	5.1
69.07070	3.3
70.06605	3.4
70.26099	0.3
71.01366	0.4
71.04665	0.3
71.05002	3.5
71.51331	0.4
72.08147	1.1
73.02880	0.3
77.03906	0.4
79.05075	0.3
79.05502	5.6
81.03426	11.9
81.06595	0.6
81.07066	12.5
83.04991	1.3
84.04498	0.8
84.08150	7.7
85.02910	2.6
85.06538	1.8
86.09723	1.7
91.05489	12.7
93.03417	1.0
93.07051	19.2
95.04978	6.4
95.08154	0.3
95.08621	2.6
97.02905	3.1
97.06532	3.5
98.09692	1.5
99.04466	6.1
101.06046	0.4
103.05480	0.9
105.04516	0.4
105.07038	12.8
107.04961	6.8
107.08606	19.0
109.02136	0.4
109.02889	7.6
109.06533	4.5
109.10160	2.0
110.07168	0.7
111.04444	0.8
111.08090	2.1
111.11699	0.3
113.06025	1.3
115.05383	0.3
117.07031	2.3
118.06522	0.7
119.04956	16.7
119.08585	5.7
120.04478	6.1
120.08089	1.8
121.05663	0.6
121.06517	8.9
121.10153	19.2
122.10531	0.3
123.04439	23.8
123.08051	1.6
125.04745	0.7
125.06010	0.4
126.05522	0.5
126.12798	2.6
127.03933	10.9
127.07539	2.0
129.07002	0.6
129.10225	0.6
130.04993	0.3
130.07787	0.8
131.04962	0.3
131.08603	2.1
133.06488	0.5
133.10143	0.6
135.06909	0.6
135.08066	3.7
135.11700	5.5
136.07590	57.1
137.05978	0.6
137.09627	2.6
138.05513	0.5
139.07568	0.7
139.11180	0.8
140.14313	0.4
141.01822	0.7
143.08566	0.5
144.13844	0.5
145.04980	0.6
145.06505	0.3
145.10135	14.1
146.06003	0.7
147.04420	13.0
147.08064	0.4
147.11682	1.7
148.03915	2.0
148.07527	0.9
149.05991	1.2
149.09633	7.2
151.07559	0.4
153.12671	0.3
158.07291	0.7
160.07625	1.0
161.09654	0.5
163.11195	32.8
165.05492	47.2
165.09117	2.2
166.04996	12.5
167.10693	8.1
169.08615	6.9
173.09659	3.8
176.14316	0.3
178.08632	2.2
181.12247	6.3
182.08142	100.0
183.10184	0.4
185.11734	1.8
189.09059	0.3
191.10681	21.5
209.11752	12.7
224.09207	5.8
226.08778	0.5
227.12802	21.8
244.09708	1.0
248.09225	0.8
269.13867	2.2
271.13358	0.8
272.09232	3.9
281.13989	0.3
289.14310	0.6
290.10284	1.4
295.12881	0.4
299.12976	0.5
308.11310	0.8
309.17062	0.4
311.15048	0.6
317.13840	1.1
335.15012	1.5
341.12396	1.0
353.15970	5.3
371.17023	6.5
389.17984	0.6
406.42545	0.3
488.22910	0.3
506.24063	0.6
516.22388	7.4
516.29932	0.5
517.16034	0.5
520.93335	0.4
524.24896	0.5
530.02783	0.3
534.23712	1.3
552.24536	3.6
570.25226	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	569.2963
Annotation	Hativene A
Peak:m/z	Relative Intensity
50.49795	1.5
52.86045	1.4
53.03942	2.4
55.01845	1.8
55.05512	7.6
56.05033	2.2
57.03439	3.0
57.07058	1.9
59.05003	13.7
61.02908	2.8
67.05180	1.9
67.05506	20.5
69.03436	12.2
69.07074	10.5
70.06594	11.9
71.04980	2.3
71.51750	2.7
72.08154	4.0
73.02887	3.1
73.58325	1.4
79.05497	12.3
81.03427	13.0
81.07064	22.2
83.04980	7.9
83.08614	4.8
84.04502	2.2
84.08146	11.4
85.02926	7.8
85.76353	1.5
86.06041	3.9
86.09710	8.8
87.04457	6.4
91.05477	15.1
93.07049	34.5
95.04991	7.5
95.08608	20.3
97.02882	5.3
97.06534	6.1
97.10158	2.6
101.06012	9.6
103.05460	1.6
104.05311	2.2
105.07030	29.5
107.04958	3.1
107.08601	57.3
109.02881	11.5
109.06503	5.9
109.10165	34.8
110.07169	3.2
111.04426	1.8
111.08040	3.7
113.06033	1.6
113.73488	1.6
117.07042	2.8
119.04906	2.8
119.08588	15.3
120.08083	2.9
121.06513	5.6
121.10136	9.2
123.08056	10.7
123.11711	3.1
125.09637	2.4
127.03917	4.5
129.07002	2.8
129.10213	4.7
131.08548	4.4
133.06453	4.6
133.10110	8.7
135.08012	3.3
135.11687	2.1
136.07597	2.9
137.05949	4.4
137.09619	56.6
137.13199	1.9
139.11154	4.6
141.09093	2.4
143.08534	4.9
145.10086	3.5
147.08028	5.1
147.11694	12.8
149.09636	2.8
150.09146	3.1
151.07562	3.0
151.11192	81.7
155.10664	2.8
156.09317	2.7
159.11687	4.2
161.09621	2.5
161.13264	16.8
163.11230	1.8
165.07803	2.9
165.09134	45.2
165.12775	1.7
171.11699	5.7
173.13188	1.8
176.96185	1.6
177.12772	6.1
179.10634	1.9
179.14273	3.0
183.10141	4.6
189.12779	19.3
201.11179	5.9
207.13805	100.0
225.14865	84.6
303.23141	4.2
309.13318	19.6
327.14340	6.8
405.90009	1.6
432.15649	1.9
507.23282	5.3
569.22723	10.7
569.30933	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	569.2934
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
55.05508	0.3
67.05510	0.6
69.07074	0.3
70.06590	1.3
70.24889	0.3
70.25259	0.6
72.08164	0.5
79.05482	0.3
81.03445	0.3
81.07059	0.9
84.04533	0.3
84.08138	0.9
85.02907	0.5
86.09710	1.0
91.03925	0.3
91.05468	0.6
93.07059	0.6
95.08607	0.3
97.02856	0.2
102.66418	0.2
103.33631	0.2
104.05338	0.3
105.07012	0.6
106.58507	0.2
107.08559	0.3
109.10120	0.2
119.08607	0.4
120.08110	0.4
121.06508	0.6
121.10197	0.2
129.10201	0.4
133.06467	0.3
133.10223	0.2
134.09770	0.2
135.07951	0.2
135.11714	0.2
136.07579	0.2
141.27725	0.2
155.08540	0.2
156.14157	0.2
157.10191	0.2
174.12865	0.2
185.04265	0.5
203.05324	1.3
217.15619	0.3
259.07852	0.9
295.15244	0.4
303.23108	0.9
321.23932	0.4
331.10110	0.6
333.20419	0.4
349.11096	0.3
407.24115	1.8
423.23770	0.4
457.20410	2.0
471.22034	3.0
487.21719	0.4
525.30347	0.6
569.29340	100.0
570.29767	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.1
67.01850	5.6
67.05489	4.1
68.99788	2.8
69.03428	2.6
69.07060	1.5
70.06586	2.4
71.51289	1.6
79.05485	3.9
81.03396	2.7
81.07050	5.9
84.08152	2.5
85.02888	2.8
86.09673	1.7
91.03967	2.1
91.05479	3.8
93.07034	4.1
95.04946	2.1
97.02872	1.8
103.05457	2.6
105.07026	11.8
107.04968	3.9
107.08572	1.8
109.10143	2.8
115.05445	2.1
119.04948	2.9
119.08586	3.5
121.02885	7.2
121.06523	7.8
121.10131	1.8
123.04407	4.9
125.02309	2.3
129.06970	2.4
131.04927	1.9
131.08559	3.0
133.06490	7.2
133.10103	2.9
135.04407	1.5
145.06514	2.4
145.10126	3.2
147.04413	24.4
147.08032	1.8
149.05960	4.4
151.03807	3.2
153.01834	100.0
156.09317	1.3
159.08080	6.4
161.06007	3.1
163.03867	5.2
163.07549	3.6
164.08264	2.0
171.02907	12.1
175.07629	7.3
179.03404	48.0
187.07553	5.5
191.07153	1.3
201.05443	9.0
202.13403	1.2
239.10620	5.0
240.07828	2.9
258.18359	1.5
267.10114	5.9
281.11777	9.6
282.12521	40.4
289.07086	11.5
309.07767	1.9
309.62714	1.6
327.08627	7.9
391.15286	4.0
404.82605	1.6
414.73538	1.5
417.17001	3.8
443.14859	3.0
473.85657	1.4
475.13757	7.0
506.21732	1.3
569.17841	24.4
569.27209	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	569.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.6
51.57220	0.6
55.05503	0.9
61.02931	1.2
65.03931	0.7
67.01878	3.9
67.05476	1.1
68.99791	2.3
69.03424	1.4
70.06612	1.1
71.52277	0.8
79.05489	1.8
81.03455	0.6
81.07070	1.2
82.91438	0.5
84.08150	1.0
85.02876	0.6
89.03911	0.8
91.03980	0.7
91.05479	4.5
93.07047	1.7
94.39209	0.6
95.04965	1.0
95.08586	1.0
97.02897	1.5
103.05456	0.7
105.07032	6.9
107.04954	3.7
107.08589	1.0
109.10175	0.9
111.00806	1.4
117.03375	1.7
117.07021	2.1
119.04935	4.1
119.08588	2.0
121.02879	10.4
121.06527	7.5
123.04434	1.9
129.06992	1.1
131.04922	1.1
131.08563	1.8
133.06509	6.2
133.10185	0.7
134.07259	1.2
135.04373	4.3
139.03896	0.7
141.07063	0.7
145.02869	1.7
145.06499	6.1
145.10121	0.8
147.04420	39.9
147.08037	1.3
148.05167	1.1
149.05991	3.1
153.01834	100.0
155.04921	0.9
155.06071	0.8
159.08064	6.3
161.05956	3.7
162.06711	3.5
163.03903	16.9
163.07539	7.2
164.08360	3.3
169.06485	0.7
171.02908	11.6
171.04300	0.5
171.08054	1.3
173.06009	6.7
175.07567	12.1
176.08278	1.1
179.03416	10.9
183.04440	0.7
187.07558	5.3
188.08340	1.4
189.09218	0.8
193.19739	0.6
201.05467	12.0
201.07230	1.0
211.07805	0.6
225.05420	0.8
226.06281	0.7
239.06970	1.2
239.10704	9.7
240.07750	3.8
241.08597	0.8
243.10153	1.9
253.08650	3.1
265.12253	1.6
267.07025	1.1
267.10181	12.0
271.05997	0.8
281.08560	0.7
281.11746	17.0
282.12512	70.9
287.05463	1.1
289.07050	21.3
309.07599	0.8
317.49426	0.6
327.08636	39.3
401.13925	2.4
416.86673	0.6
443.14911	1.3
475.13870	1.3
569.17914	2.4
569.29224	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
55.01880	1.4
55.05509	4.2
59.05001	1.4
67.05524	4.9
69.03439	14.3
69.07072	8.6
69.69317	2.8
69.69735	2.2
69.78423	0.8
70.06589	4.8
71.05005	1.2
72.08173	1.8
74.53123	1.1
79.05499	3.0
81.03411	1.0
81.07072	11.0
83.04989	10.4
83.08616	5.3
84.08155	4.0
85.02906	1.8
85.06561	3.2
86.09698	1.9
87.00862	1.8
87.04480	3.4
91.05500	3.2
93.07050	25.8
95.04985	2.5
95.08624	16.2
97.06555	4.9
98.09698	2.5
99.08086	1.4
99.10057	1.0
101.06013	5.0
105.07055	1.6
107.04972	1.1
107.08606	5.5
109.06538	4.5
109.10176	2.7
111.08096	14.3
115.03946	2.5
115.07568	1.7
117.07001	1.3
118.08698	1.0
119.08588	3.1
121.06508	7.8
121.10172	6.1
123.11729	1.2
129.05495	7.5
129.09149	7.1
131.08601	1.2
133.10159	4.8
133.14055	0.8
134.23772	1.0
135.08067	1.8
135.11732	8.1
137.09621	1.4
139.07567	11.3
140.14326	1.0
143.07047	3.2
149.05986	4.5
149.13304	4.0
151.11192	7.5
157.08624	7.9
159.11665	5.5
163.07549	1.1
165.09178	1.0
167.07048	1.9
177.12764	12.1
183.10255	1.1
185.08191	1.5
195.13817	17.5
205.12276	2.4
223.11482	0.9
223.13261	5.6
225.29700	1.0
241.14374	70.4
309.13333	14.4
311.06369	0.9
327.14413	100.0
328.14709	1.1
514.81403	1.0
527.70258	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01868	0.9
55.05508	3.7
57.03446	0.8
57.07057	0.8
59.04993	0.9
64.80351	0.8
65.03951	0.6
67.05181	1.0
67.05507	12.3
69.03410	3.0
69.07043	2.1
70.06575	1.7
70.64146	2.1
71.04961	1.5
73.02885	0.8
79.05492	4.5
81.03432	8.5
81.07052	7.2
83.04971	0.7
83.08596	1.9
84.08133	1.4
85.02882	2.3
86.09718	3.7
91.04004	0.7
91.05504	3.5
93.07063	6.1
95.04961	2.0
95.08610	3.5
97.02874	2.2
97.06508	1.5
105.07027	1.9
107.04971	0.9
107.08569	3.6
109.02853	2.3
109.09508	0.6
109.10166	8.1
110.07110	0.9
111.04441	1.2
115.52363	0.7
117.06999	1.6
119.08564	2.6
120.08150	1.0
121.10159	1.1
127.03881	2.1
131.08533	1.5
133.10107	1.1
135.11679	1.3
137.09612	0.8
145.10089	0.9
147.11702	0.7
149.13252	1.5
159.11646	1.6
173.11769	1.9
177.12718	1.1
185.04169	1.4
195.13828	1.5
229.14543	1.0
269.17419	0.9
331.10034	4.0
355.17432	1.1
387.20941	1.0
395.20639	1.6
405.22192	1.2
423.27231	2.1
442.19611	0.8
455.18668	1.2
469.20358	5.9
498.20877	1.0
549.26685	19.0
567.27484	100.0
568.27521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01870	0.6
55.05490	2.3
55.56874	0.6
57.03429	1.2
67.05198	0.8
67.05511	10.2
69.03410	2.4
69.07041	2.1
70.06582	1.9
71.04996	0.8
71.52193	0.9
72.08139	0.6
79.05070	0.6
79.05476	2.9
81.03419	6.1
81.07068	6.3
83.04957	1.7
83.08623	1.5
84.08150	0.9
85.02877	1.8
85.06474	0.8
86.09727	3.1
91.03886	0.8
91.05457	2.7
93.07063	3.8
95.04939	1.6
95.08590	2.3
97.02867	1.4
97.10153	1.2
98.16290	0.6
103.86023	0.6
105.06990	2.5
107.04902	0.9
107.08566	2.3
109.02862	1.5
109.10181	5.5
113.15083	0.7
115.03838	0.8
115.60593	0.6
117.06972	1.5
119.08614	1.2
120.08131	0.7
121.10116	1.4
123.39704	0.6
127.03897	1.5
129.06981	0.7
131.08531	1.2
131.12805	0.6
133.10083	0.7
135.11673	0.9
145.10072	1.0
149.13167	0.9
155.08640	0.6
159.11636	0.9
173.11713	1.5
203.05200	2.1
216.26628	0.7
229.14421	1.1
233.15263	0.7
259.07877	2.1
331.09903	2.5
395.20496	0.7
405.22256	1.5
455.18790	1.4
469.20572	5.1
495.25128	0.8
528.30701	0.8
534.64026	0.7
549.18011	0.8
549.26611	18.9
567.27509	100.0
568.28558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.05522	18.6
56.55743	2.3
57.03442	19.6
57.07080	3.4
65.03930	2.6
67.05511	71.8
69.07084	29.4
71.08638	2.6
79.05503	33.9
81.06596	5.2
81.07059	91.6
83.04962	5.7
83.08634	17.7
91.05493	17.4
93.06479	4.3
93.07048	43.6
95.04950	2.5
95.08619	43.7
97.06528	8.7
97.10189	3.7
98.21615	4.2
99.08032	2.9
105.07032	12.5
107.08596	26.8
109.10185	14.2
111.08097	4.0
117.07024	2.9
119.08569	9.5
121.10125	18.2
123.11665	6.5
131.08534	7.2
133.10130	11.0
135.11658	7.0
147.11612	2.8
149.13249	19.9
159.11693	12.2
161.13348	2.7
175.08627	2.2
175.14796	4.0
177.12749	5.8
195.13809	10.0
207.03676	2.6
263.23697	3.7
269.17499	75.3
337.23251	3.8
337.27380	78.1
384.29852	2.7
531.40527	100.0
566.40723	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	567.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01875	0.6
55.05510	0.8
56.05020	0.4
57.03451	0.4
61.02924	0.2
65.03950	0.2
67.01865	0.4
67.05510	1.4
68.99801	1.5
69.03441	1.6
69.07079	1.1
70.06605	1.8
71.04981	0.6
71.51545	0.2
72.08163	0.4
73.02911	0.3
78.27305	0.2
79.05507	1.4
81.03422	2.3
81.07063	3.0
83.04993	0.5
83.08623	0.2
84.04513	0.5
84.08146	2.4
85.02914	1.5
85.06548	0.4
86.06084	0.2
86.09705	2.2
87.05589	0.2
91.05497	1.5
93.07055	3.4
94.06567	0.3
95.04982	0.7
95.08607	1.5
97.02891	0.9
97.06525	0.7
97.10189	0.3
98.06055	0.2
98.09740	0.5
99.04466	1.5
103.03966	0.3
105.06390	0.3
105.07042	3.4
106.06591	0.2
107.04962	0.3
107.08613	3.5
108.08141	0.4
109.02892	2.1
109.06512	0.8
109.10191	1.1
109.10831	0.2
110.07176	0.2
111.04465	1.3
111.08072	0.7
111.11717	0.2
112.03951	0.2
112.16631	0.2
112.69938	0.2
113.05972	0.2
115.05376	0.2
115.08691	0.2
117.07044	0.7
118.06575	0.2
119.08582	2.1
120.08128	0.8
121.06506	1.6
121.10146	4.1
122.06071	0.2
123.04459	0.3
123.08070	0.4
123.11709	0.6
125.05954	0.2
127.03932	3.5
127.07587	0.2
128.07106	0.2
129.10266	1.5
130.06538	0.2
131.08583	0.5
132.08083	0.3
133.02859	0.4
133.10141	0.7
135.08064	0.9
135.11720	1.3
136.06566	0.2
136.07578	0.8
137.02324	0.4
137.05930	0.2
137.09631	0.4
139.11198	0.3
143.42752	0.2
145.04968	0.4
145.10152	2.8
146.06039	0.3
147.04396	0.2
147.08034	0.2
147.11693	0.9
149.06000	0.2
149.09651	1.1
149.13196	0.2
150.09146	0.2
151.07642	0.2
152.07060	0.3
155.03432	0.6
157.10028	0.2
159.08098	0.2
159.09221	0.2
159.11700	0.4
160.07573	0.4
161.09578	0.3
161.13260	0.5
163.11205	6.7
165.09134	0.2
167.10693	2.0
169.08644	1.6
171.11664	0.3
173.09631	0.7
179.03412	100.0
180.03819	0.3
181.12228	1.9
185.11739	0.5
187.14835	0.2
188.07018	0.3
191.03438	0.2
191.10686	5.1
193.12230	0.2
197.13068	0.2
201.16548	0.2
209.11742	3.4
221.04466	0.6
226.10727	1.0
227.12849	5.5
243.21114	0.5
248.09155	0.5
249.09442	0.2
261.22134	0.3
269.13943	0.3
280.08386	0.2
281.11902	0.2
287.05466	0.2
301.11835	0.2
306.09851	0.3
307.10077	0.4
317.13766	0.3
335.14810	0.4
352.25809	0.3
353.15939	1.2
371.16953	1.4
387.16599	0.2
391.18115	0.3
507.18979	0.3
526.07141	0.2
535.19073	2.3
549.20221	0.3
549.28180	0.2
567.21625	7.3
567.30011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05359	0.4
55.05590	0.6
57.03506	0.4
60.08255	0.4
67.05624	1.2
69.03520	0.4
69.06847	0.4
69.07170	0.7
69.85216	0.9
69.85610	0.8
70.06306	0.7
70.06725	2.1
71.05087	0.7
72.08264	0.5
79.05627	1.2
80.05130	0.4
81.03101	0.4
81.03530	0.8
81.07208	1.9
83.05076	0.5
84.04645	0.4
84.07764	0.5
84.08299	1.5
85.03050	1.1
86.06242	0.4
86.09870	1.6
91.05644	2.0
93.05885	0.4
93.07218	1.3
94.06705	0.8
95.05111	0.4
95.08771	1.1
96.08272	0.4
98.09842	0.5
98.20708	0.3
104.10931	0.3
105.06538	0.6
105.07185	1.0
106.06731	1.0
107.07520	2.5
107.08730	0.7
108.07533	0.5
108.08302	3.9
109.10355	0.9
111.66524	0.3
116.05131	0.3
117.07188	0.6
118.06692	0.4
119.08773	1.2
120.04630	0.8
120.08311	3.6
121.05365	0.5
121.06691	0.6
121.09087	3.4
121.10329	0.6
122.06166	0.8
122.09867	2.5
123.08198	0.3
124.12913	0.4
125.00218	1.2
133.10254	0.5
134.09813	0.7
135.06978	0.4
135.10640	0.9
135.11873	0.6
136.07800	3.5
136.11432	10.3
137.08492	0.4
137.13420	0.4
138.05717	0.4
143.08775	0.5
144.04663	0.4
146.06218	0.9
147.04576	0.8
148.07805	1.6
148.33379	0.3
149.08566	0.9
149.13399	0.3
150.05669	0.6
150.08043	0.8
150.09377	10.9
151.10143	0.8
152.10924	2.3
157.10249	0.3
160.04172	1.1
160.07799	0.6
162.09323	0.5
164.07251	0.5
164.10962	3.5
165.11752	4.1
166.05232	0.5
166.08897	2.9
166.11018	0.4
166.12291	11.6
172.03929	2.7
176.07205	0.4
178.05186	0.3
182.04799	0.3
183.09384	0.6
184.07352	4.9
184.10007	0.4
185.10934	0.8
188.10873	0.7
190.04968	1.9
192.06709	0.6
192.10391	0.8
195.09422	0.8
196.06190	0.7
196.07954	0.4
196.10060	0.7
197.11023	1.0
198.11711	0.7
199.12642	1.1
204.06549	4.2
206.08554	0.5
207.09438	0.5
209.11073	1.1
211.08875	0.9
211.12598	1.4
212.04044	0.4
212.13350	0.6
213.10252	2.2
215.12012	0.5
220.10017	0.4
221.10995	0.5
222.07953	0.6
223.08655	1.8
223.12415	0.5
225.10545	1.0
226.09029	0.4
226.11111	0.5
227.08372	0.8
227.11835	1.8
228.12891	0.9
229.13524	0.6
235.08662	2.3
236.09660	1.3
237.06912	0.4
237.10254	4.0
238.11200	0.4
239.08449	1.0
239.12097	1.3
241.09978	1.0
243.15244	1.2
245.16766	0.4
247.08798	0.4
247.24632	0.4
248.09631	0.4
249.06744	0.4
249.07799	0.5
249.10229	4.1
250.07417	0.4
250.11304	0.9
251.08174	3.0
251.11862	1.7
252.09166	0.7
252.12775	0.4
253.09830	0.6
253.13681	0.6
255.11546	0.6
262.11206	0.6
263.08276	2.9
263.12137	1.0
264.08917	2.8
265.09720	9.7
265.13754	0.5
265.25595	1.0
266.10458	1.8
267.07651	4.5
267.11368	0.5
269.09518	0.4
269.13089	1.2
271.14407	14.9
277.06824	0.7
277.10016	2.7
278.07315	0.4
278.10736	1.2
279.07950	1.0
279.11536	2.5
280.12177	0.7
281.09552	1.3
281.13019	1.7
282.10297	0.6
283.10754	1.6
283.26477	0.6
291.07932	2.4
291.11301	0.5
293.09271	4.8
293.13004	0.7
294.10214	1.0
295.07776	0.5
295.11133	1.3
295.14514	0.8
297.12656	3.4
297.16144	0.9
305.09479	0.5
307.10834	2.1
308.07819	0.6
308.11588	0.4
309.08765	8.8
309.12411	1.2
310.09760	0.7
311.10507	1.6
311.14105	1.0
319.07474	0.8
319.10886	0.5
321.12564	1.1
323.10504	7.1
323.14139	2.7
324.11230	0.6
325.12140	1.5
326.13071	1.0
327.10345	0.4
327.13831	0.8
327.17209	0.8
330.16446	0.9
332.17856	1.0
337.08737	1.9
337.12155	2.0
339.13837	0.6
340.14819	1.1
341.11581	0.7
341.15381	1.3
344.17819	0.9
351.09991	1.5
354.12506	0.6
355.09677	0.6
355.12930	0.8
355.16556	15.1
356.17670	3.6
357.14899	0.5
358.15695	1.4
358.19522	0.6
365.11642	0.7
369.10898	0.9
370.15500	0.4
370.19449	0.5
372.17218	1.8
373.14127	0.5
374.18930	0.6
376.16663	1.2
383.12555	1.3
384.13327	0.5
384.17184	3.7
385.14221	1.5
386.15070	1.5
386.18903	1.2
390.18231	0.7
397.14096	2.1
398.19373	0.8
399.19733	0.7
400.16574	1.6
402.18274	0.6
402.22626	0.5
406.21603	0.9
414.13989	0.7
414.18405	1.3
416.15463	0.5
416.20410	0.9
418.17776	1.0
426.18515	0.5
428.15631	1.9
429.16595	0.6
430.14120	1.1
430.21747	1.0
431.18567	0.4
432.19525	1.7
434.20816	2.7
442.17584	2.2
443.18369	1.6
444.15851	1.3
446.17145	1.2
446.21921	0.5
456.19409	0.7
458.20804	2.3
459.18030	1.3
460.18567	2.0
461.19064	0.5
470.17456	1.2
472.14880	0.9
474.20297	10.7
484.18234	0.5
487.17169	0.7
490.23276	0.5
492.21442	0.6
502.19745	29.5
506.23102	0.7
520.20789	2.0
534.22382	100.0
535.22748	1.0
552.23444	1.0
566.24915	35.4
567.25745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34229	0.4
53.27341	0.4
54.03477	1.5
56.05037	15.0
57.03156	0.6
57.03437	10.3
58.06590	1.6
68.05037	0.8
69.78154	2.0
70.02946	1.3
70.06603	2.5
72.08150	0.5
74.06081	11.4
82.02954	0.5
82.06585	2.7
83.06080	0.8
83.81429	0.5
84.04053	0.5
84.04508	5.8
84.08112	2.2
85.02876	0.5
86.06049	1.4
86.09705	7.2
88.03981	2.2
91.44738	0.4
98.09686	0.5
99.05563	2.7
100.07613	1.0
101.07137	1.6
108.04502	0.6
109.07641	1.2
110.02371	0.5
110.06014	2.2
111.05573	1.4
112.03987	0.9
112.11298	1.0
115.08668	0.4
119.04961	0.5
120.04715	0.5
120.08122	0.6
121.02859	2.1
124.11254	0.5
125.07110	0.9
126.05503	1.9
127.05038	0.8
127.07722	0.8
127.08682	13.0
129.06602	2.4
129.10274	0.8
130.03244	0.5
130.04976	2.6
132.10210	1.9
136.03938	1.4
136.07594	0.7
137.07092	1.4
138.05502	100.0
141.13922	0.7
143.04523	0.5
144.06567	5.4
147.04352	0.5
148.04300	0.5
153.06625	3.2
154.05032	1.2
154.09705	0.5
155.08163	15.8
158.11725	0.7
169.13364	1.2
171.07658	2.1
176.03784	0.5
181.06096	3.4
181.09657	0.7
187.14331	0.6
189.08685	4.5
191.08469	0.6
197.12877	1.2
198.10744	0.7
198.12386	5.4
199.07126	8.4
202.05328	20.8
210.08749	0.6
215.13985	1.0
217.06400	1.4
217.08195	10.2
219.07986	28.6
227.06656	2.3
233.15009	2.0
235.07190	1.4
242.11337	0.6
243.02888	0.5
243.13408	0.7
245.05789	0.5
249.91985	0.4
252.09958	0.5
263.07001	5.7
264.09756	0.8
270.10815	5.5
282.10883	0.5
284.16016	1.4
295.05887	1.5
296.06354	1.6
300.11771	0.8
308.06461	1.1
310.10406	0.9
312.15436	0.9
316.09674	0.9
322.07965	1.0
325.07260	0.6
326.07401	1.1
330.16599	5.6
334.10703	16.4
336.12167	1.0
338.07059	0.5
348.17725	4.5
349.07364	0.5
350.07422	1.0
352.09113	0.7
353.14426	0.6
354.12851	0.6
358.15897	0.5
362.07327	0.8
364.11929	0.8
371.15656	2.8
380.08499	1.9
388.08881	0.6
389.14825	0.7
390.13702	1.1
392.07959	0.9
407.15912	1.8
410.09515	2.7
417.14355	4.3
418.13297	0.7
428.10666	1.9
434.09033	0.6
435.15466	23.2
449.20233	0.8
458.10873	0.8
466.22595	0.6
467.95639	0.5
477.20404	0.7
482.11551	1.1
484.23944	3.0
494.11499	0.8
495.21219	1.4
500.12582	1.0
502.24945	3.7
512.12738	3.0
520.24426	1.3
530.13806	1.6
530.22791	1.7
548.15552	1.2
548.23792	10.8
565.79877	0.8
566.24713	8.5
589.11029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51951	2.0
50.85249	1.8
52.09126	1.9
55.01867	6.2
57.03444	3.1
61.02927	2.2
65.03941	2.5
68.99821	2.3
70.06573	1.8
70.23345	7.6
78.57484	1.7
84.08150	2.0
85.02892	6.1
86.09749	1.8
86.81691	1.8
91.05477	4.1
97.02892	2.8
107.04937	3.9
109.02898	3.7
111.67203	1.8
119.04946	12.3
121.02871	74.4
135.04449	3.8
139.03897	2.2
145.02855	7.6
147.04378	3.3
159.04428	3.1
163.03908	8.9
165.01762	2.2
175.03943	3.9
177.01840	7.6
177.05539	2.5
187.03905	6.9
189.01839	10.4
189.05423	2.5
191.03383	6.7
195.02908	4.8
199.03975	3.1
201.05551	3.2
203.03394	19.4
205.04942	4.5
207.02917	7.4
213.05505	2.8
215.03409	9.5
217.05005	8.8
219.02904	6.4
221.04433	3.5
227.03419	4.3
229.04942	7.5
231.02870	7.5
233.04591	4.6
241.04999	3.8
243.02960	6.0
243.06567	2.0
247.06055	2.5
249.04024	2.5
253.04887	2.5
255.02937	2.9
255.06699	2.4
261.03915	6.9
268.07217	2.9
269.04468	2.7
271.06073	5.4
273.03946	5.4
277.08636	2.1
279.06458	6.4
281.08139	4.2
283.05875	10.4
285.03922	3.8
287.47729	2.1
292.07193	3.2
293.04816	2.0
293.08124	5.0
294.05261	19.7
295.06049	79.6
296.06735	6.4
297.03848	3.2
297.07547	7.7
304.07245	3.3
306.08862	2.5
307.02643	3.8
307.06024	54.6
307.09503	3.8
308.06870	13.8
309.07626	17.8
313.07004	5.8
315.04901	2.3
317.07880	2.7
319.05984	9.6
320.06702	7.8
321.03851	3.1
321.07584	47.1
322.04941	2.3
322.08176	9.5
323.05707	2.9
323.09174	5.8
325.07095	80.8
329.07718	2.1
331.05872	2.5
333.07587	21.4
334.08243	3.5
335.09079	23.1
336.06189	4.2
337.07080	56.0
337.11084	3.1
339.08569	5.6
345.07617	11.2
347.09036	10.2
349.07043	58.2
351.08643	26.9
355.08167	11.4
359.09103	3.2
361.07019	29.1
361.10931	2.1
363.08646	27.0
365.10391	2.5
367.07971	9.8
373.07037	14.2
375.08670	13.7
379.08139	75.4
387.08710	6.7
389.10471	4.2
391.08121	57.5
393.08426	7.0
397.09186	21.6
401.10303	4.8
403.08075	17.8
405.09717	4.8
409.09201	81.8
411.09210	7.6
415.09930	12.5
417.09464	4.0
421.09119	10.4
427.10315	100.0
429.09784	4.8
433.09204	17.9
439.10519	9.7
445.11203	20.9
451.10406	16.0
457.11490	26.9
463.10211	11.4
469.11301	23.8
475.10562	16.0
481.11368	49.2
493.11313	28.0
499.12387	43.9
511.12408	83.6
529.13477	58.4
547.14539	27.2
565.15625	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	565.155
Annotation	Neocorymboside
Peak:m/z	Relative Intensity
55.01878	7.0
57.03455	3.0
61.02936	2.7
65.03988	2.3
66.35485	2.0
70.06602	2.4
70.66437	3.8
70.66782	4.4
71.42500	2.0
82.37243	2.2
85.02937	5.9
119.04957	8.7
121.02859	40.1
145.02875	5.5
162.76668	2.4
176.00998	3.9
177.01910	4.9
189.01894	9.0
191.03448	3.4
195.02896	4.2
199.03981	2.9
203.03363	14.6
207.02962	3.0
215.03526	2.9
217.05031	6.2
219.02971	5.1
221.04488	3.1
227.03358	3.1
229.05046	4.2
231.02835	3.3
241.05022	2.7
243.03029	2.9
267.06509	4.6
268.07336	4.8
269.04492	3.0
279.06583	4.1
283.06018	6.1
285.03839	2.8
293.08194	3.2
294.05286	19.0
295.06027	84.7
295.09390	4.4
296.06763	6.1
297.07709	6.7
307.06012	61.8
307.09564	5.1
308.06717	15.2
309.07620	15.4
313.07056	6.0
317.08234	4.6
319.05997	7.4
320.06821	5.4
321.07590	40.7
322.08411	11.1
323.09207	8.2
325.07068	79.3
329.08142	4.3
333.07547	20.6
335.09018	24.4
336.06335	5.4
337.07086	68.6
337.11188	4.6
339.08841	4.4
345.07535	8.5
347.09088	12.0
349.07068	67.6
349.10168	3.4
351.08646	29.0
355.07904	10.4
361.07080	28.3
361.11166	3.4
363.08630	20.6
365.10333	7.9
367.08081	11.8
373.07083	13.7
375.08817	15.7
377.10321	4.5
379.08118	100.0
387.08701	7.8
389.10342	4.2
391.08115	51.4
397.09146	43.4
401.10178	3.6
403.08093	22.7
405.09671	7.0
409.09161	64.5
411.08820	3.2
415.09436	15.7
417.09509	4.5
421.09192	18.2
427.10294	77.6
429.09500	3.4
433.09210	19.9
439.10413	11.3
445.11258	28.3
451.10208	24.6
457.11313	39.6
463.10229	6.1
469.11279	41.6
475.10565	15.7
481.11383	50.6
493.11331	32.0
499.12347	45.8
511.12387	73.9
529.13409	58.6
547.14484	39.7
565.15405	10.8
592.99500	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	565.1191
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.94040	0.1
53.03939	1.5
55.01871	1.8
55.05486	0.2
57.03440	1.0
61.02931	1.2
65.03946	0.2
68.56217	0.1
68.99802	0.8
69.03432	6.1
70.06593	0.2
70.82928	0.3
70.83266	0.2
71.01341	0.1
71.05004	1.0
73.02919	1.2
80.72433	0.1
81.03419	7.4
83.01350	0.3
84.08143	0.2
85.02908	10.8
86.09708	0.3
87.00832	5.3
91.03955	0.4
92.02610	0.6
93.03402	0.7
94.04227	0.2
95.01301	0.1
97.02892	3.9
98.09685	0.2
99.04459	2.6
103.10956	0.1
105.01206	0.2
105.01870	2.8
109.02883	6.1
111.00783	0.2
115.03912	0.3
117.01849	1.2
120.08112	0.2
121.02882	0.7
126.03133	0.2
127.03921	9.5
129.01820	0.7
138.80762	0.1
139.03902	0.9
140.14389	0.1
145.02986	0.1
145.04962	2.8
147.02873	0.6
147.04355	0.2
151.03914	0.5
152.53944	0.1
153.01828	5.4
159.01581	0.2
159.02884	4.3
164.87202	0.1
165.01855	0.5
177.03842	0.2
177.05452	0.3
183.02997	0.1
201.05450	0.4
203.03429	0.4
213.03955	0.4
217.04993	0.6
218.05795	0.3
219.02872	0.2
223.84619	0.1
228.04195	0.8
229.04985	2.4
231.02954	0.3
231.05017	1.3
245.04424	0.8
246.05252	1.6
256.03702	0.2
257.04443	1.7
260.03128	0.3
273.03903	1.6
274.04752	3.4
284.03220	0.2
285.03961	3.2
286.04721	0.2
301.03278	0.2
302.04224	10.8
317.06555	100.0
318.06876	0.7
324.38455	0.1
359.07761	0.4
473.28024	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	565.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93678	0.2
53.03956	1.7
55.01880	1.6
57.03439	1.0
58.60303	0.2
61.02919	0.9
67.19204	0.2
68.99796	0.9
69.03090	0.4
69.03437	6.4
69.83387	1.2
70.06599	0.6
71.04981	0.9
72.08161	0.3
73.02934	1.7
75.63181	0.2
76.14490	0.2
81.03429	8.2
84.08125	0.5
85.02917	11.3
86.09705	0.6
87.00842	5.0
88.75349	0.2
91.03976	0.4
91.54204	0.2
97.02897	3.7
98.09698	0.7
99.04474	2.5
104.02409	0.2
105.01881	3.0
107.04961	0.9
109.02893	7.1
113.58752	0.2
117.01861	1.4
120.08146	0.3
121.02869	0.7
125.92614	0.2
127.01051	0.2
127.03927	8.9
129.01849	0.9
129.44193	0.3
134.03622	0.5
145.04970	3.6
147.02905	0.8
150.19800	0.2
158.03464	0.2
159.02919	4.7
168.00537	0.5
169.01355	0.4
200.04735	0.5
213.03986	0.3
228.04265	1.2
228.34047	0.2
231.05092	1.5
231.07124	0.3
245.04532	0.4
256.03662	0.4
257.04459	0.4
273.03943	0.7
274.04739	0.7
276.56021	0.3
285.03986	2.5
287.05533	0.8
301.03442	2.8
302.04245	40.0
317.06592	100.0
318.06967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.05511	14.5
57.03442	15.6
57.07091	5.0
67.05507	77.6
69.07076	24.9
71.05010	4.5
76.73035	2.8
79.05494	41.3
81.07060	86.3
83.05004	5.9
83.08611	10.5
85.06549	4.9
91.05482	26.0
92.65124	3.1
93.07044	68.9
95.04962	3.1
95.08616	46.8
97.06535	8.2
98.21508	9.4
105.07037	20.2
107.08595	34.2
109.10167	12.3
111.08095	4.6
111.69798	2.7
117.07014	10.9
119.08589	9.5
121.06491	5.0
121.10136	18.9
123.11742	5.7
131.08586	10.9
133.10138	9.6
135.07954	3.1
135.11710	10.8
145.10136	6.4
147.11699	4.6
149.13284	28.4
159.11717	13.0
161.13243	3.8
163.14899	3.5
173.13329	4.4
173.68056	3.3
175.11188	4.0
177.12791	22.1
185.70436	2.9
186.06566	2.9
195.13837	10.5
219.13841	13.4
261.22198	6.3
269.17493	76.2
317.24844	3.4
327.19592	6.9
335.25836	79.2
529.38885	100.0
564.39850	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	564.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.01874	8.3
55.05516	21.9
57.03437	17.6
57.07076	5.5
59.04987	4.5
61.02917	6.6
67.05505	63.8
69.03437	9.9
69.07068	30.8
70.04913	6.2
70.06575	5.4
71.01360	2.3
71.04990	32.4
73.02913	3.9
75.04492	2.9
76.01701	2.0
78.47900	1.7
79.05496	42.8
81.03411	14.2
81.07057	100.0
82.20766	1.8
83.04972	13.9
83.08627	13.4
84.08134	6.3
85.02909	41.6
85.06538	5.6
86.09686	3.6
87.04464	2.9
91.03952	3.5
91.05481	33.9
93.07043	58.3
95.04958	8.7
95.08609	61.4
97.02901	8.4
97.06536	16.4
97.10154	7.9
98.09683	3.8
98.98115	1.8
99.04448	4.3
99.08093	5.0
103.03974	2.8
103.05456	2.0
103.42068	1.6
105.06406	2.4
105.07040	31.3
107.04942	7.1
107.08601	42.9
109.02891	1.9
109.06513	5.1
109.10158	35.5
111.04448	5.8
111.08082	9.4
113.05898	1.9
113.09654	4.9
115.57290	1.6
117.07028	15.5
119.08582	23.0
120.08116	2.2
121.06522	7.9
121.10146	24.2
123.08077	5.6
123.11711	28.4
125.09658	10.4
127.03939	8.1
127.11210	3.8
129.05508	12.1
129.07005	3.9
131.08577	18.3
133.10126	25.2
135.08040	4.1
135.11693	41.1
137.09621	4.0
137.13257	15.8
139.07605	1.9
139.11136	3.3
143.08575	2.7
143.10683	13.8
145.04984	3.9
145.10141	15.3
147.06535	6.9
147.08040	2.1
147.11673	16.1
149.09631	11.6
149.13261	24.1
150.09125	2.1
151.11215	3.4
153.12726	1.7
155.08543	4.3
157.10123	4.6
159.11697	24.1
161.13269	8.8
163.11169	8.0
163.14830	2.6
169.10138	4.0
171.11714	2.3
173.04507	3.3
173.09575	1.8
173.11899	2.5
173.13286	7.8
175.14841	2.8
177.12747	26.4
179.14270	8.3
181.12251	3.4
183.11690	3.4
189.11337	2.7
189.16386	2.2
195.13794	5.9
203.17961	7.5
205.19550	10.6
221.19048	9.2
223.20580	12.6
227.12605	3.6
229.14381	6.1
239.17960	4.6
245.13707	2.1
245.22607	5.4
251.16434	3.9
255.15901	49.3
257.18939	9.3
263.23685	32.7
269.17493	92.0
275.20044	29.8
281.24750	23.4
282.23465	1.9
293.21002	2.3
309.20709	3.0
313.21548	2.2
349.23737	70.0
367.24762	21.5
413.21829	4.5
511.29117	3.6
546.27716	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	564.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.01860	5.7
55.05512	28.1
55.23319	2.7
56.05032	3.9
57.03452	15.6
57.07065	3.1
61.02927	8.7
67.05508	53.0
69.03425	8.8
69.07076	23.6
70.06587	20.1
71.01349	3.6
71.04980	8.4
71.52056	5.7
72.08133	3.2
73.02921	3.7
79.05500	47.4
81.03413	11.8
81.07056	64.0
83.04982	7.2
83.08620	18.0
84.04490	5.4
84.08152	15.7
85.02915	18.4
85.06545	5.4
86.09715	10.5
91.03962	5.0
91.05486	38.0
93.07054	50.6
95.04951	10.1
95.08616	32.9
97.02888	8.0
97.06532	12.8
97.10162	22.8
98.09705	11.4
99.04501	4.8
99.08080	5.3
103.05474	3.3
105.07035	37.5
107.04933	8.5
107.08594	58.6
109.02895	3.9
109.06499	7.1
109.10177	17.4
111.08090	8.7
117.07024	15.6
119.08603	28.5
120.08100	7.4
121.06523	6.6
121.10149	18.6
123.08057	5.1
123.11710	7.1
125.09647	21.7
127.03947	6.3
129.07028	7.5
131.08572	18.7
133.06506	5.8
133.10136	32.3
135.08037	7.5
135.11678	17.0
136.07597	3.4
143.08543	8.3
145.10114	24.6
147.04424	6.0
147.08131	3.3
147.11707	12.7
149.09595	9.8
149.13231	7.7
150.09222	4.0
157.10159	8.1
159.11714	18.4
161.09721	5.9
161.13286	4.0
163.11209	8.2
171.10301	3.4
171.11684	6.3
173.13249	9.0
177.12802	5.5
183.11711	3.4
185.13275	4.0
187.11177	3.4
189.11226	8.7
192.97667	4.3
217.15810	3.3
227.12772	14.4
229.19582	3.3
239.17900	8.5
245.13858	9.4
255.15895	37.3
257.19006	24.8
267.16159	3.3
267.65521	3.0
269.17441	35.7
271.33063	2.9
275.03839	3.5
275.20105	55.3
275.28500	2.8
309.20474	4.8
331.22635	4.6
349.23734	100.0
367.24869	24.6
408.41891	3.6
442.73016	3.3
511.29321	5.9
548.17468	3.1
564.24628	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	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.05528	16.6
55.05733	2.9
57.03453	16.5
57.03676	3.2
61.02922	5.1
65.03899	4.1
67.05511	23.2
69.03405	8.0
69.07064	18.5
69.75680	11.0
69.76081	7.2
70.06579	11.5
71.04998	74.3
72.31954	3.6
74.19384	3.3
75.04495	5.3
79.05499	23.8
81.03407	7.9
81.07063	61.9
83.04977	22.2
83.08610	8.0
84.04489	5.4
84.08130	8.2
85.02910	100.0
85.06528	5.7
86.06052	3.8
86.09707	6.9
87.04491	4.7
91.05486	20.1
93.07056	31.7
95.04971	8.3
95.08620	26.0
97.02893	7.8
97.06522	3.8
97.10145	7.8
98.09678	3.8
99.04433	8.8
99.08098	4.9
105.07039	30.5
106.17844	3.7
107.08588	49.9
109.02863	5.2
109.10149	30.5
110.07124	5.6
111.04441	9.6
117.06996	7.2
119.08585	33.0
120.08089	5.2
121.06505	4.5
121.10139	20.1
123.08057	4.0
123.11687	16.1
125.09594	16.9
127.03901	11.0
127.11184	12.6
129.05493	38.7
131.08557	10.7
133.10139	25.6
135.11702	72.1
143.08524	8.2
143.10675	54.9
145.06569	3.6
145.10097	12.4
147.06517	17.2
147.11717	17.8
149.13322	6.1
157.10091	5.6
159.11630	11.9
161.13261	12.4
163.11171	4.1
163.14758	4.6
171.11674	4.5
173.13258	8.6
175.14885	4.6
184.07224	3.6
185.13242	4.2
191.14255	5.2
203.17967	35.2
221.19028	46.1
239.17964	4.6
245.18814	4.0
257.19037	4.9
259.17551	3.5
259.21039	4.3
269.17404	3.8
270.13992	3.5
275.20059	13.9
303.99365	3.7
309.20560	5.3
317.06488	6.5
318.06842	7.4
331.22580	5.8
349.23724	26.2
367.24704	10.1
383.12503	5.8
416.28589	3.7
476.28696	4.3
532.21136	5.9
564.25488	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13260	0.5
55.05505	1.2
56.05043	1.2
57.03426	1.0
58.06590	0.6
67.05492	1.8
69.03429	1.2
69.07072	6.8
70.06599	7.3
71.05000	5.6
71.06910	0.6
71.52069	0.5
71.52426	0.6
72.08160	1.6
79.05503	0.9
81.03432	1.1
81.07057	1.4
83.05006	0.9
83.08630	1.9
84.04485	1.3
84.08151	10.6
85.02908	7.9
86.06063	0.7
86.09710	100.0
87.10014	0.6
91.05479	1.0
93.07041	1.7
95.04964	0.5
97.02882	1.7
98.09696	18.7
99.04462	1.0
99.10029	0.7
102.18034	0.5
103.05479	0.9
105.07048	1.1
107.08596	3.3
109.02892	0.9
109.06546	0.7
109.10160	0.7
110.07156	1.1
111.04461	0.5
112.11172	0.5
113.95030	0.5
119.04945	0.9
119.08593	0.8
120.08113	52.4
121.06510	0.6
121.10157	1.6
123.08118	1.3
125.09651	2.1
126.12792	3.5
127.03943	1.2
129.05481	1.9
129.10246	1.8
132.08020	0.5
134.04503	1.1
135.11696	0.8
136.07610	1.0
140.14354	8.1
147.04414	3.8
149.09656	0.7
158.15411	1.2
159.11710	0.5
163.11240	2.6
171.11330	0.6
177.10237	19.7
181.12251	1.8
188.14420	1.1
191.10643	1.1
199.18066	26.7
205.09732	17.0
205.12236	0.8
223.13327	4.8
227.12926	0.8
227.17551	16.7
239.66577	0.5
281.11298	5.2
284.19717	8.0
287.05588	2.2
301.23163	0.5
318.18198	2.3
320.12531	0.7
338.09540	1.0
338.13428	9.2
370.21237	0.6
403.27097	9.2
431.26620	3.1
451.21698	3.3
461.19830	0.6
491.26898	1.6
564.22589	0.7
564.30084	13.5
564.80267	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	564.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57807	0.6
55.01875	0.8
55.05507	0.8
55.50822	0.5
56.05034	1.5
60.04516	1.5
60.05656	0.9
67.05511	0.7
67.28233	0.6
68.05028	1.2
69.03436	0.9
70.02953	8.1
70.06596	12.9
71.43744	0.8
72.08159	5.8
74.06094	0.6
75.05597	0.8
81.07066	0.6
82.02937	0.8
83.06120	0.6
84.04508	2.4
84.08147	7.4
85.02913	2.7
85.04036	4.3
85.08445	0.8
86.06073	2.1
86.09708	100.0
87.05589	15.1
87.10041	0.7
88.03995	5.8
89.89581	0.5
91.05468	2.9
96.04482	0.9
97.02893	1.2
98.02408	1.8
98.09689	9.2
99.05588	2.7
99.10014	1.6
101.07155	1.7
102.05558	0.9
103.05482	2.2
105.07023	1.3
107.04964	0.9
109.04014	1.9
109.06531	1.1
110.02396	3.0
110.07171	1.7
111.05602	1.1
112.11251	1.1
113.03500	2.0
113.10777	1.9
115.00919	0.6
115.05083	1.7
119.04939	1.2
120.08104	34.2
121.02895	2.1
126.06618	0.7
127.05046	14.7
129.10223	3.3
130.06543	1.0
131.04962	1.1
131.11804	2.2
132.08115	1.4
136.07562	1.4
137.02451	0.7
137.03494	2.4
138.01840	0.9
138.06638	0.7
138.09143	4.6
140.14340	2.6
141.10237	4.5
144.07681	4.5
147.04417	1.6
154.06165	2.1
155.04520	9.1
155.11806	2.6
158.12892	0.6
166.08626	5.2
168.04099	0.7
169.09715	1.5
172.07207	21.3
175.08727	2.6
182.05646	4.1
183.11301	13.0
184.14426	0.9
188.14401	2.7
189.10268	2.0
194.08102	3.5
198.08824	2.7
200.07062	8.2
200.14049	2.4
206.05716	2.1
210.05264	0.8
211.10767	8.3
212.14061	1.7
217.09694	5.1
221.09348	2.5
224.06746	2.2
225.05045	0.7
228.06281	1.8
228.13455	15.2
228.15630	1.2
229.09726	1.1
234.12421	0.7
240.13567	2.4
241.09393	1.0
245.09282	1.9
246.07594	3.1
251.07835	2.2
252.06183	2.3
253.04640	0.7
257.09235	0.6
258.12112	1.2
259.18539	0.7
262.11935	0.7
263.10245	3.2
267.14621	2.0
268.10434	0.9
268.13077	1.9
269.08878	2.1
270.07327	1.7
274.11807	5.0
280.12912	9.0
285.15561	5.5
286.11591	2.0
287.09811	3.6
292.13062	0.8
295.06155	2.3
297.08160	1.0
302.11441	1.9
307.06088	1.1
314.10968	1.0
319.14008	1.9
320.12314	4.7
321.07349	0.8
325.07239	2.0
333.07745	1.0
335.08975	0.9
337.07065	1.4
337.15051	14.8
349.07281	1.5
354.17731	3.3
363.08710	0.8
365.14545	1.1
371.13681	1.3
371.20605	1.3
379.08331	1.4
381.18613	3.2
382.17285	7.7
383.15622	4.0
387.20258	0.7
389.14615	1.2
391.08200	1.5
399.13232	2.6
399.19968	10.5
400.18396	3.2
409.09296	1.3
416.15771	2.5
417.14377	3.5
417.20120	0.8
418.72632	0.7
421.09375	0.7
427.10141	1.9
433.18591	1.3
434.16824	5.7
451.19519	2.4
461.17844	1.4
462.16312	0.8
481.11334	1.3
484.21957	3.8
485.20667	1.4
493.10947	0.8
501.24536	2.3
502.23016	5.2
511.12308	1.5
512.21442	1.8
519.25616	4.6
529.13544	0.9
529.23938	5.5
530.22668	4.9
546.26776	11.4
547.25073	7.1
564.28430	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	563.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81465	0.7
53.03943	2.1
55.01871	2.8
55.05513	21.7
57.03193	0.9
57.03439	10.8
57.07072	4.5
67.05506	49.5
69.03432	1.6
69.07070	23.5
71.05003	3.8
71.08628	1.2
71.23270	1.4
72.04510	5.0
77.03915	0.8
79.05496	26.7
81.03400	1.7
81.07056	52.9
83.04987	3.7
83.08617	14.7
85.06524	2.2
91.05483	13.4
93.07047	33.8
95.04990	4.8
95.08607	60.0
97.02892	2.2
97.06518	3.4
97.10168	5.6
99.04456	2.8
105.07031	11.5
107.04961	6.6
107.08597	26.9
109.06517	1.6
109.10152	13.6
111.04385	1.2
111.08088	1.1
111.11725	1.0
117.07019	6.4
119.08596	10.9
121.06544	4.1
121.10139	12.9
123.08083	2.6
123.11699	3.9
125.05991	1.4
131.08597	0.9
133.10133	6.1
135.08055	2.5
135.11697	33.7
135.12733	1.8
137.09607	1.3
137.13280	1.7
145.10126	18.6
147.11729	3.8
149.13264	1.9
151.14835	0.9
161.13261	2.3
163.11179	39.2
163.14781	1.9
175.14850	1.9
177.12691	1.0
179.14320	0.8
181.12204	8.6
192.53571	0.9
209.11685	2.3
209.13464	0.7
227.12782	73.5
245.22736	1.6
263.23810	4.0
283.15399	34.4
288.42825	0.8
319.26108	0.9
331.26221	2.7
337.27362	100.0
385.01508	0.8
396.25229	3.5
545.38361	54.0
563.39154	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	562.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01876	4.1
55.05514	17.0
56.74338	0.9
57.03442	5.3
61.02927	3.7
65.03915	1.0
67.05509	16.7
69.03435	6.2
69.07067	16.7
69.85109	4.3
70.06596	3.1
71.04991	2.8
72.08150	0.8
73.02923	1.3
79.05493	16.6
79.05917	1.4
79.91009	0.8
81.03425	13.2
81.07060	16.2
83.04993	2.4
83.08627	8.5
84.08118	2.2
85.02898	5.0
85.06535	0.9
91.03994	1.7
91.05487	13.1
93.07047	13.3
95.04970	7.5
95.08609	7.9
97.02282	1.2
97.02893	9.4
97.06544	2.4
97.10168	10.7
98.09762	0.9
98.20840	1.1
99.04446	1.2
105.06336	0.7
105.07029	12.5
107.04956	5.9
107.08604	9.9
107.51582	0.8
109.02865	1.3
109.06518	1.8
109.10155	7.8
111.08092	3.1
115.05470	1.8
117.07009	5.3
119.08577	10.5
121.06514	3.5
121.10150	3.4
123.08068	2.4
125.09613	9.4
127.03950	1.0
129.07024	2.8
131.08530	6.0
133.06516	2.2
133.10170	4.6
135.08090	2.3
135.11711	2.4
136.07611	1.0
137.09651	2.1
143.08591	2.4
145.04915	1.1
145.06552	1.1
145.10127	3.9
147.08066	4.9
147.11681	3.6
149.09656	2.0
149.13289	1.2
149.72754	1.0
153.09114	1.4
157.10115	3.9
159.11700	2.7
161.09630	2.1
163.11169	2.2
165.12802	0.8
168.25203	0.8
173.09714	1.0
175.11200	2.5
187.11079	1.2
189.11263	4.1
193.12274	7.3
205.12297	1.3
211.13272	4.7
223.13295	14.5
227.12788	4.8
245.18968	1.0
246.76503	0.9
249.14914	2.5
261.36615	0.9
267.15964	9.9
273.18503	10.5
285.16986	10.6
291.19547	71.8
347.22256	2.6
359.18741	1.0
365.23242	100.0
459.27478	4.5
477.28503	3.6
527.28442	2.1
562.37543	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.3
55.01873	6.4
55.05510	9.8
57.03437	6.9
57.07071	1.0
59.02283	1.2
61.02902	2.2
65.03941	1.4
67.05506	36.7
69.03413	4.3
69.07067	13.3
69.70052	5.7
70.06593	3.1
71.04980	3.3
73.02918	2.1
76.78382	1.1
79.05068	1.8
79.05492	22.9
81.03417	8.9
81.07056	38.9
83.04970	10.1
83.08627	6.3
85.02930	5.2
85.06525	3.5
86.09708	1.9
91.03945	2.2
91.05482	35.1
93.06490	1.8
93.07045	26.1
95.04961	8.9
95.08601	12.3
97.02883	2.7
97.06517	4.3
97.10147	3.0
98.96000	1.2
99.04419	1.8
99.08077	1.3
103.05409	1.6
105.04514	1.3
105.07033	33.3
107.04964	8.1
107.08596	23.8
109.06544	6.2
109.10156	39.3
110.07204	1.2
111.04430	2.0
111.08063	3.4
113.05978	2.1
115.07649	1.1
117.07024	7.3
119.08591	9.1
121.06490	5.3
121.10143	5.8
123.08061	2.1
123.11716	6.7
125.09629	2.0
125.29498	1.1
127.07525	1.6
129.05495	1.4
129.07024	2.6
131.08571	9.6
133.06494	4.0
133.10132	52.5
134.10413	1.2
135.08043	5.4
135.11678	4.3
137.09595	1.9
139.31754	1.0
143.08521	3.2
145.10124	4.1
147.08017	3.0
147.11641	3.0
149.09599	7.4
151.11203	24.4
157.10115	4.2
159.08020	1.7
159.11707	1.5
161.08461	1.0
161.09630	5.7
161.13252	1.9
163.11119	2.7
169.12210	5.2
171.11714	2.1
175.11221	4.0
177.09041	2.5
179.10710	2.7
187.11006	1.3
189.11208	1.5
191.10744	1.9
193.12259	2.0
211.13225	1.6
215.12720	2.9
229.14415	1.5
245.18953	3.4
253.14355	85.0
255.17261	1.3
263.19965	3.9
267.15881	3.8
269.13715	3.1
271.15405	14.3
273.18536	11.7
285.16971	4.4
291.19504	13.4
309.20547	1.2
347.22079	6.3
347.71103	1.1
365.23239	100.0
383.24191	2.5
459.27615	1.2
477.28473	6.1
527.28473	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	562.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01863	4.0
55.05271	1.3
55.05513	17.2
57.03427	4.3
57.03678	0.9
57.07108	0.8
61.02917	3.9
67.05510	17.9
69.03435	6.8
69.07076	18.0
69.70052	3.6
69.70464	1.7
70.06586	1.9
71.04996	2.1
72.08181	1.0
79.05499	16.8
81.03415	8.4
81.07061	16.4
83.04970	3.8
83.08629	7.3
84.08128	1.5
84.71802	0.9
85.02914	4.8
86.09716	1.6
91.03962	1.6
91.05492	14.8
93.07053	13.5
95.04983	7.3
95.08608	6.8
97.02903	8.5
97.06520	3.1
97.10176	10.1
98.21571	1.9
99.04494	1.0
103.05389	1.0
105.07039	10.3
107.04964	5.9
107.08610	9.6
109.06534	2.2
109.10165	6.4
111.08070	2.1
114.74563	0.8
117.07020	6.7
119.04940	1.5
119.08599	10.0
121.06503	3.4
121.10166	5.0
123.08056	3.1
123.11678	0.9
125.09640	7.2
129.07033	2.6
131.08603	5.2
133.06537	4.5
133.10143	4.1
135.08037	3.0
135.11804	1.7
137.09636	2.2
141.07037	1.1
143.08571	2.7
145.05049	1.0
145.10144	5.7
147.08089	5.3
147.11674	4.1
149.09618	2.3
151.11104	1.2
157.10031	1.3
159.11699	2.6
161.09665	2.0
161.13297	1.4
163.11232	1.7
165.09105	2.0
175.11177	2.3
182.24919	1.1
189.11234	4.1
189.12761	1.2
193.12317	4.4
202.32738	0.9
205.12297	1.6
211.13187	1.2
223.13286	13.7
227.12772	3.6
245.13905	2.3
245.19028	1.3
249.14842	3.1
267.15848	3.3
270.29962	0.8
273.18491	10.9
275.02847	0.9
285.17029	11.7
285.64359	0.9
291.19562	100.0
347.22247	2.0
365.23254	94.4
394.03934	0.9
394.66248	1.1
527.28986	1.0
584.17468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01874	6.1
55.05515	9.2
57.03444	7.7
60.31654	0.9
61.02926	2.1
65.03941	1.4
67.05138	1.8
67.05508	36.5
67.80623	0.8
69.03426	4.3
69.06736	1.0
69.07079	11.5
69.21365	8.5
70.06601	2.7
71.05001	5.1
72.08134	1.2
73.02934	1.6
74.20465	0.9
79.05499	19.9
81.03439	5.4
81.07059	39.4
81.07537	2.1
83.04993	6.9
83.08633	4.6
84.08156	1.4
85.02911	4.4
85.06555	4.1
85.77401	0.9
89.06081	1.2
91.03989	1.2
91.05486	33.3
93.07045	20.4
95.04961	6.0
95.08619	10.5
97.02897	2.7
97.06521	4.0
97.10178	1.7
98.20733	1.9
99.04458	2.2
99.08050	1.0
105.07040	27.9
107.04961	4.5
107.08601	25.5
109.06544	6.0
109.10165	40.9
111.08102	2.2
113.06041	1.8
117.07017	4.8
119.08588	8.5
121.06521	5.6
121.10152	4.2
123.08077	3.8
123.11719	6.1
125.09647	1.3
126.98308	0.9
127.07594	1.9
129.05521	1.2
129.07002	2.5
131.08585	7.9
133.06534	5.4
133.10138	50.2
135.08089	4.7
135.11697	4.0
136.07570	1.1
137.09607	1.8
139.07440	0.9
139.11191	1.1
143.08571	2.9
145.06526	1.1
145.10143	4.7
147.08060	2.8
147.11713	2.8
149.09636	5.4
151.11185	24.0
155.08409	1.0
157.10124	2.3
159.08086	2.3
159.11690	2.7
161.09673	5.2
163.11221	1.6
169.12265	3.0
171.08098	1.0
171.11703	2.8
173.09650	1.0
175.11305	2.4
177.09143	3.3
189.12903	1.2
213.12810	1.1
215.12856	1.5
245.19012	4.0
251.12828	1.2
253.14366	100.0
263.20093	4.6
269.13910	3.1
271.15414	18.5
273.18512	17.3
285.16928	1.9
291.19553	19.9
309.20709	2.0
347.22299	6.5
347.25912	1.7
363.21219	1.0
365.23248	73.6
383.24213	4.0
421.29266	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72966	0.7
55.01885	2.0
56.05036	7.5
58.06601	1.8
60.04224	1.2
60.04530	23.7
60.05647	0.9
60.18351	0.7
68.05025	7.2
68.73364	0.7
69.03432	2.7
69.07076	2.7
70.02962	4.2
70.06602	7.3
71.51109	1.6
72.04516	2.5
72.08176	2.1
73.02924	1.2
74.06083	21.3
76.32607	0.8
81.03404	1.0
82.06582	1.8
84.04510	45.4
84.08144	12.2
85.02889	1.9
85.04031	3.6
85.07688	1.1
86.06074	11.8
86.09709	100.0
87.05597	16.7
88.03994	3.6
91.05479	0.8
96.04489	2.9
96.08138	5.2
97.02882	2.3
97.04008	1.1
97.07632	1.0
98.02415	10.2
98.06064	4.0
99.05573	3.8
99.09209	1.2
101.07146	10.6
102.05540	2.9
108.08090	0.9
110.02447	0.9
110.07166	2.3
110.09667	1.6
112.03967	1.9
112.08669	1.0
112.11264	1.2
113.03490	2.6
113.07175	1.8
113.10777	6.7
114.05580	1.2
115.05051	3.5
115.08659	1.5
116.07098	10.4
119.04964	0.8
119.08180	2.8
120.08106	2.0
121.06435	1.2
124.04009	1.9
125.07116	8.7
126.05505	1.5
127.05042	2.1
129.06596	2.7
129.10243	3.2
130.05009	70.1
132.10219	4.0
135.06796	0.9
136.06245	1.0
136.07570	3.0
137.07147	0.9
138.06714	1.1
138.09151	16.5
141.06604	2.0
141.10229	24.8
143.08173	5.8
147.04420	2.3
147.07652	98.3
153.06578	6.5
153.10199	0.9
155.10524	1.5
155.11807	27.3
156.06523	1.3
157.13361	1.2
161.09283	4.0
165.06651	1.3
165.10226	0.9
166.08647	3.5
167.08293	1.2
169.09724	5.6
170.04506	8.9
170.09282	1.3
171.07663	9.1
173.09296	1.7
173.12852	1.1
181.06088	1.2
181.09785	1.4
183.11307	24.3
186.26511	0.7
186.61505	0.8
187.10863	1.1
189.08708	3.3
192.11382	4.5
193.09741	2.2
198.08910	1.0
200.13953	56.4
201.12392	1.4
203.13914	6.8
210.12415	4.0
211.10780	29.2
213.08702	2.6
220.10838	1.6
228.13443	58.1
230.11348	7.4
231.07507	0.8
231.09738	3.9
238.11942	4.1
241.08095	1.9
248.12421	55.2
253.12820	0.8
254.11270	1.1
256.12790	4.6
262.11893	1.7
263.10263	1.7
266.14987	1.8
276.13339	1.0
279.14511	2.4
280.12872	6.0
281.11404	2.5
282.10876	1.6
294.14484	1.8
297.15582	13.6
298.14041	2.0
299.13513	30.1
300.11819	2.1
312.15366	1.3
315.16605	8.4
317.14606	13.0
335.15607	35.1
353.18314	1.8
380.19220	3.9
381.17563	2.6
398.20395	32.0
399.18729	1.3
416.21249	5.1
422.20181	1.0
440.21393	2.4
448.23877	2.4
458.22311	3.3
477.72357	0.9
505.25848	0.9
508.25107	3.6
508.86755	1.1
509.23953	2.4
524.66486	1.1
524.86346	0.9
526.26233	17.5
527.24762	1.9
544.27124	7.0
545.25140	1.7
562.20374	0.8
562.28339	15.8
587.80292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
52.78545	1.4
53.03955	5.4
55.01876	3.3
55.05514	22.7
55.58963	1.3
57.03444	4.3
57.07078	2.6
59.05007	1.3
61.02940	1.9
65.03946	4.5
67.05509	86.8
69.03444	1.7
69.07070	19.0
69.07424	1.8
69.24209	3.2
69.24625	8.3
71.04997	54.1
71.08640	3.2
72.14437	1.2
77.03979	1.4
79.05498	67.8
81.03414	1.4
81.07061	100.0
83.04986	10.9
83.08628	10.5
84.50108	1.5
85.06547	6.2
91.05489	65.3
91.98106	1.3
93.07047	62.8
95.04981	10.9
95.08620	33.9
97.06541	9.8
97.10191	3.1
99.08122	3.9
101.06022	1.3
105.04530	2.7
105.07037	31.7
105.07686	2.3
107.05003	2.0
107.08605	37.7
109.06535	3.8
109.10164	16.9
109.10827	1.4
109.66047	1.3
111.08100	2.5
117.07030	9.2
119.08585	14.4
119.09367	1.7
121.06507	1.5
121.10159	26.0
123.08131	2.7
123.11710	20.4
123.12447	1.8
125.09653	2.5
129.07025	2.6
130.07822	1.2
131.08572	13.0
133.10136	31.5
133.11096	1.9
133.90855	1.2
135.08113	1.5
135.11700	18.6
143.08614	1.5
145.10159	7.5
147.11713	6.1
149.09659	2.0
149.13266	12.9
151.11189	11.5
153.12828	1.7
157.10240	1.6
159.11722	13.5
161.13298	3.4
163.11288	1.5
169.12218	2.0
171.11713	2.0
173.13356	3.8
175.14876	2.3
177.12813	5.3
183.13821	17.9
183.15353	1.4
185.13206	1.8
187.13416	1.5
187.14911	2.0
195.13931	5.6
213.14973	1.7
227.12785	1.3
227.16573	2.3
231.97588	1.3
257.17542	1.7
261.22330	5.0
269.17639	3.1
275.20163	1.7
283.19110	2.4
285.17178	4.3
293.21088	13.5
317.24927	2.0
335.25858	2.5
361.27670	3.7
363.25455	2.8
503.83731	1.3
517.38855	32.9
517.45660	2.1
529.39014	12.1
543.37073	2.9
560.31512	1.4
561.41693	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38538	1.1
53.03934	4.2
55.01870	3.5
55.05515	17.1
57.03439	12.2
57.07064	4.3
60.42321	1.2
65.03937	3.6
67.05506	50.7
69.03429	2.2
69.07073	14.1
69.25873	4.4
69.26305	4.8
71.04981	4.0
71.08624	2.5
73.02904	1.6
79.05498	47.0
81.03410	3.4
81.07058	57.2
83.04989	5.4
83.08625	12.2
85.06559	1.8
89.06013	5.8
91.05484	20.7
93.07044	60.5
95.04983	7.0
95.08607	66.5
97.02898	4.0
97.06542	5.1
97.10167	2.7
98.21126	5.6
99.04435	2.9
99.08106	2.3
103.05469	1.1
105.04522	1.2
105.07030	17.2
107.04971	9.5
107.08595	41.8
107.50921	1.3
109.06528	4.1
109.10152	18.3
111.04437	2.0
111.08084	3.1
111.35912	1.1
115.05418	1.3
117.07018	11.3
119.08588	18.5
121.06521	9.0
121.10147	24.7
123.08077	1.4
123.11726	5.9
125.05958	1.9
127.22959	1.0
128.06189	1.0
129.06998	2.9
130.07765	1.9
131.08585	8.8
133.08595	2.6
133.10141	10.0
135.08072	3.8
135.11696	53.5
137.13271	2.3
139.11137	1.0
143.08514	2.2
145.10129	35.7
147.11745	3.0
149.13255	4.9
151.11197	1.3
153.12714	1.3
159.11690	3.5
161.13249	3.3
163.11180	53.5
163.14807	2.3
171.11662	1.5
173.13278	3.6
175.14778	1.4
177.11145	1.3
179.14331	2.1
181.12213	12.3
187.14870	2.1
209.11662	2.9
227.12784	100.0
233.22615	1.1
243.21086	4.4
261.22131	20.7
277.21951	1.4
279.23233	1.6
283.15393	52.5
293.21024	2.0
299.23398	1.0
306.25214	2.1
316.42297	1.2
317.24677	6.7
335.25806	69.3
347.58716	1.1
350.28250	1.4
404.23392	1.7
469.33057	1.4
543.36902	45.1
544.39130	3.2
561.39618	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.01863	5.5
55.05516	22.8
57.03440	8.5
57.07066	3.2
65.03935	3.6
67.05508	67.1
69.03427	3.3
69.07073	21.4
70.95722	2.8
71.04986	6.4
79.05496	64.2
81.03403	4.1
81.07059	67.9
83.04993	8.6
83.08627	14.2
85.06544	4.0
89.06033	1.3
91.05491	33.9
93.07048	87.0
95.04977	12.1
95.08611	69.1
97.02892	5.0
97.06552	7.0
97.10173	4.6
99.04443	4.2
103.05484	1.8
105.07037	23.9
107.04955	14.3
107.07880	2.5
107.08597	47.4
109.06504	2.6
109.10159	18.4
111.04456	3.2
111.08100	2.1
111.11696	1.4
117.07025	17.0
119.08588	25.5
121.06509	6.4
121.10149	38.5
123.08031	2.6
123.11700	5.3
125.06010	3.5
125.09633	2.3
129.07004	3.3
130.07806	3.0
131.08588	12.8
133.10138	14.7
135.08049	3.6
135.11694	56.5
139.11208	3.5
140.93288	1.4
141.07060	1.4
143.08487	3.4
145.10130	39.1
147.08064	2.2
147.11719	8.3
149.09579	3.4
149.13263	5.7
153.12752	1.8
155.08556	3.2
157.10123	3.1
159.11693	6.3
161.09688	2.1
161.13271	6.0
163.11185	54.4
163.14839	3.5
165.69319	1.5
167.08481	1.8
169.10207	2.5
171.11769	2.8
173.09590	2.6
173.13249	5.5
175.14815	2.7
181.12238	11.5
185.13293	1.9
191.10655	3.0
197.13249	1.5
201.16252	2.4
209.11749	3.5
227.12793	100.0
243.21152	5.1
245.13889	8.9
259.20352	2.0
259.43225	1.4
261.22177	18.0
265.14331	2.7
275.20007	2.5
277.21631	2.5
283.15405	55.2
293.21115	1.4
315.23077	2.7
317.24725	7.9
335.25797	62.1
388.38257	1.6
469.33029	2.1
470.48254	2.0
487.34164	2.4
506.20834	1.6
525.35864	2.8
543.36902	52.4
561.37903	39.2
569.50439	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
53.16426	1.3
55.01867	4.9
55.05275	2.1
55.05518	25.1
57.03445	12.5
57.07063	3.9
64.63513	1.4
65.03936	4.1
67.05509	76.6
69.03435	2.4
69.07075	22.8
69.21387	12.5
70.05753	1.2
71.04991	10.8
71.08624	3.6
73.02923	1.5
79.05499	60.3
81.03412	5.4
81.07063	86.2
83.04995	6.9
83.08624	16.7
85.06521	4.3
89.06026	2.6
91.05488	35.6
93.07051	78.0
95.04984	9.3
95.08614	79.6
97.02883	4.3
97.06545	7.7
97.10175	3.5
98.21513	3.1
99.04467	4.3
99.08080	4.2
103.05406	2.6
105.04481	1.5
105.07031	26.1
107.04984	9.5
107.08603	56.1
109.06515	4.6
109.10159	20.1
111.04407	2.2
111.08096	3.2
117.07023	16.4
119.08584	21.5
121.06538	6.8
121.09332	2.2
121.10155	32.7
123.08043	1.6
123.11716	9.7
125.05984	3.1
125.09655	1.8
129.07056	2.7
130.07814	3.3
131.08585	12.5
133.08617	2.5
133.10147	20.0
135.08090	3.6
135.11702	60.2
135.55475	1.3
137.09674	2.0
137.13245	2.0
143.08530	1.9
145.10133	38.3
147.11707	6.9
149.09579	2.0
149.13269	9.3
151.11169	2.9
157.10161	2.2
159.11676	7.5
161.13286	6.4
163.11191	62.0
163.14795	4.9
171.11726	1.4
173.13264	5.7
175.14856	3.5
177.09152	1.3
177.16383	1.6
179.14331	2.5
181.12268	11.5
187.14804	4.2
209.11815	2.6
227.12798	100.0
243.21025	5.9
253.14374	1.7
261.22156	22.5
277.21518	4.2
283.12430	2.7
283.15393	44.3
289.88843	1.3
293.21097	4.0
317.24789	8.4
335.25824	99.3
337.14142	1.7
469.33368	1.6
517.38782	3.1
529.39050	6.2
543.36823	58.7
544.39282	3.0
561.40149	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	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.6
54.40503	1.7
55.01864	8.1
55.05273	2.1
55.05517	28.0
57.03437	10.5
57.07076	3.5
65.03934	4.5
67.05508	86.0
69.03412	1.9
69.07064	19.6
69.63702	12.2
71.04978	5.4
79.05499	66.8
81.03408	7.2
81.07061	79.7
83.04975	8.4
83.08624	15.5
85.02893	2.4
85.06564	3.2
91.05483	42.6
93.07050	83.3
93.07648	4.0
95.04993	13.1
95.08614	80.2
97.02913	4.6
97.06540	8.2
97.10165	7.3
97.16235	1.9
97.72921	1.8
98.20840	3.0
99.04414	3.9
99.08114	2.5
105.07032	33.1
107.04959	12.6
107.07877	3.3
107.08604	55.4
109.06538	4.0
109.10160	27.3
111.04468	3.6
111.08104	3.4
117.07031	20.2
119.08578	27.1
121.06515	6.8
121.09335	2.7
121.10146	32.6
123.08086	4.2
123.11716	8.2
125.06022	3.1
125.09626	4.9
127.73444	1.7
128.06238	1.9
129.06978	2.9
130.07773	3.7
131.08565	23.6
133.10133	25.8
135.08043	4.8
135.11700	58.7
135.58997	2.1
137.09579	1.9
137.13364	1.7
139.07588	2.8
139.11162	2.5
142.91602	1.7
143.08569	6.8
145.10132	43.3
147.08089	2.1
147.11707	11.6
149.09615	8.7
149.13274	9.1
151.11208	2.2
153.12808	2.1
155.08511	3.1
157.10133	5.4
159.11690	11.6
161.09578	1.9
161.13237	5.0
163.11197	58.3
163.14838	3.7
171.11703	3.7
173.09688	8.6
173.13263	7.5
175.11246	2.0
175.14821	4.1
179.14442	3.0
181.12311	12.7
183.11749	2.3
185.13295	2.7
187.14877	4.0
191.10674	5.8
197.13211	2.0
209.11681	11.8
227.12787	100.0
243.21138	6.3
250.23174	1.9
261.22137	26.8
265.14404	3.4
275.20117	2.4
283.15427	62.6
283.18555	3.4
299.23624	2.7
301.21515	3.1
315.23309	2.4
317.24768	10.3
335.25809	91.8
340.00916	2.0
406.57217	2.0
451.32010	5.6
469.33328	4.3
487.34235	4.3
509.18304	2.0
525.35632	6.1
543.36835	84.0
561.38019	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
52.86301	1.2
53.03946	7.7
55.01874	12.3
55.05512	23.5
57.03437	4.7
57.07075	4.2
59.04996	1.5
65.00986	1.0
65.03935	5.5
67.05508	86.6
69.03437	3.8
69.07071	18.5
71.04998	6.2
72.21804	1.1
72.81071	1.0
73.02914	1.6
77.03925	1.0
79.05496	67.4
81.03425	5.9
81.07061	73.7
83.04986	23.5
83.08622	10.8
85.02912	3.5
85.06544	4.2
88.12486	1.3
91.05486	47.2
93.07047	79.6
95.04978	12.5
95.08611	47.7
97.02894	1.3
97.06551	10.6
97.10172	5.6
99.04453	5.2
99.08097	3.1
101.02378	1.1
103.05455	1.7
105.04513	3.2
105.07037	28.5
107.04956	16.4
107.08601	38.9
107.79042	1.1
109.02847	1.3
109.06529	4.1
109.10157	22.0
109.82796	1.2
111.04453	35.1
111.08083	11.3
113.06033	1.0
115.05451	2.8
117.07020	21.1
119.07727	1.2
119.08582	27.8
121.06509	5.6
121.10149	41.1
123.08120	3.4
123.11678	6.2
125.06010	3.0
125.09656	3.4
128.06221	1.0
129.05603	1.2
129.07028	6.6
130.07851	2.2
131.04948	2.2
131.08580	22.8
133.10146	16.5
135.08096	2.2
135.11700	34.2
137.09634	3.1
137.13235	1.4
141.06963	1.1
143.08527	7.0
145.06526	2.9
145.10133	30.8
147.08084	3.0
147.11688	11.5
149.09615	7.2
149.13254	9.0
151.11223	2.1
153.12759	15.5
155.08571	6.4
157.10159	4.4
159.11700	8.7
161.13341	6.5
163.11186	30.1
163.14851	3.6
165.12762	1.7
169.10179	2.1
169.27942	1.0
171.11716	3.1
173.09651	11.3
173.13315	6.1
175.11171	1.5
175.14806	2.6
176.73206	1.1
181.12234	27.8
183.11765	1.5
185.13351	2.2
187.14886	2.7
188.03444	1.1
189.11269	1.2
191.10667	22.9
191.14325	1.7
193.10371	1.0
193.12128	1.7
199.14879	1.7
201.12680	1.5
201.16362	1.6
209.11707	10.3
211.13229	1.4
227.12782	24.9
229.34077	1.2
241.19551	1.5
243.21124	5.5
259.20633	2.8
261.22156	19.3
265.14420	8.5
266.34036	1.1
267.15982	2.9
275.20294	1.2
277.21619	2.2
279.23282	1.2
283.15408	39.7
285.22171	1.7
299.23648	1.7
301.16550	2.4
315.23099	1.2
317.24817	6.0
333.24219	1.3
335.25845	10.2
423.32867	2.6
433.31140	3.1
441.33740	1.6
451.31931	5.5
459.35199	1.1
469.32965	7.6
487.34012	2.3
515.37476	6.6
520.76105	1.1
525.35846	7.7
543.36902	30.1
561.25079	4.1
561.37903	100.0
562.38086	1.4
569.33795	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.38
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25509	5.9
55.05508	21.6
57.03434	10.0
67.05509	52.4
69.03442	6.5
69.07058	24.2
70.34163	15.6
76.46077	5.4
79.05518	37.6
81.03411	9.2
81.07059	53.8
83.08595	10.1
87.04441	6.5
91.05490	27.2
93.07057	39.7
93.77576	6.4
95.08630	40.6
96.06384	6.8
97.10188	6.9
105.07027	21.4
107.08604	31.5
109.10168	37.9
117.07040	8.7
119.08567	14.3
121.10146	17.6
123.11720	11.7
131.08582	13.1
133.10126	18.1
135.11694	23.6
145.10123	11.0
147.11699	14.3
149.13239	18.9
159.11671	16.6
161.13252	9.4
161.17596	5.5
163.11238	10.1
163.14789	9.8
173.13281	7.7
177.06042	6.4
187.14801	8.8
243.21004	32.4
261.22177	100.0
291.19534	10.1
292.19846	14.2
335.25687	17.6
353.26923	36.7
417.06763	6.9
560.36700	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	23.1
60.42422	8.5
67.05507	57.4
70.33686	19.6
79.05488	41.2
81.07056	75.2
82.13126	9.3
83.08656	9.1
87.36105	7.6
91.05461	27.6
93.07053	59.3
95.08610	55.1
97.06525	11.5
98.21481	8.7
100.17212	9.9
103.68188	7.6
105.07020	25.3
106.07384	10.3
107.08582	28.1
109.10159	43.0
117.06924	12.6
119.08575	19.1
121.10129	31.6
123.11728	12.9
131.08591	15.5
133.10118	23.2
135.11670	19.3
141.85464	8.9
145.10117	22.8
149.13234	20.7
151.17847	9.0
159.11632	12.0
163.14809	14.6
173.13237	14.0
215.58415	8.1
243.21011	35.8
261.22192	100.0
335.25781	30.7
353.26895	62.5
424.87924	9.9
560.36755	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	559.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29589	2.2
53.03940	8.1
53.27456	2.2
55.05509	26.1
57.03437	9.7
57.07061	3.9
65.03947	5.5
67.05508	100.0
69.07065	23.3
70.10169	9.9
71.04999	4.6
79.05497	95.6
81.03433	6.8
81.07062	85.8
83.04993	12.0
83.08601	11.5
85.06554	5.1
88.25694	2.2
91.05482	64.4
93.07043	89.3
95.04963	17.4
95.08615	54.5
97.06541	6.7
97.10158	4.2
105.07037	51.7
107.04951	9.1
107.08591	34.5
109.06532	5.5
109.10165	17.2
111.08052	2.6
117.07026	16.5
119.08578	29.0
121.06501	3.1
121.10130	22.4
123.08061	7.3
123.11723	4.3
125.09668	2.3
128.06181	3.5
129.06987	19.2
131.07727	2.2
131.08563	15.4
133.10126	17.0
135.08076	3.5
135.11739	13.3
137.09769	2.6
143.08577	10.1
145.10133	17.9
147.11682	34.7
149.09656	2.8
149.13260	7.1
157.10170	4.5
159.11630	4.9
161.09631	4.5
161.13243	14.5
168.78111	2.3
169.10124	4.8
171.11711	27.1
173.13321	5.0
187.14906	2.6
189.12677	12.9
197.13448	2.7
207.13800	28.0
261.22195	7.7
279.16028	4.4
281.17499	59.3
335.25797	68.2
523.38031	2.7
541.38977	93.0
559.41144	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	558.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	17.3
57.03442	11.1
57.07080	22.9
65.03937	1.7
65.94575	1.5
67.05175	2.7
67.05506	30.4
67.39318	1.6
69.03441	1.8
69.07078	15.4
69.10708	1.6
69.82027	3.5
69.82434	5.8
71.04994	8.9
71.08635	17.7
79.05500	12.4
81.03420	32.0
81.07058	28.9
83.04990	8.3
83.08620	27.8
85.02911	11.8
85.06524	1.5
85.10171	10.3
88.43406	1.7
89.06014	2.8
91.05479	15.8
91.48714	1.5
93.07038	10.3
95.04966	13.9
95.08606	19.6
97.06527	2.9
97.10184	10.2
105.07032	7.7
107.04972	2.6
107.08577	5.2
109.10151	18.9
111.08072	6.0
119.08572	11.3
121.10139	4.6
122.29343	1.7
123.11662	3.7
129.06961	5.2
131.08556	4.7
133.06512	2.0
133.10123	3.3
135.11763	1.9
137.09612	3.3
145.10008	2.1
147.08159	2.2
147.11661	7.9
149.09665	3.3
153.72556	1.8
157.10101	7.2
165.12845	2.2
173.11743	3.3
175.11195	6.3
193.12257	30.7
206.33786	1.5
211.13289	41.1
239.23615	2.6
267.15854	9.4
285.16965	37.1
287.18481	6.4
311.25815	9.7
313.27380	60.2
442.58200	1.6
465.35858	34.7
505.38751	9.1
523.39941	100.0
528.85608	1.9
558.53455	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	558.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35789	0.3
55.01871	0.8
56.05040	1.2
57.03440	1.3
60.04528	0.8
60.05658	0.4
60.57256	0.4
67.05500	0.5
68.05034	2.2
69.03432	0.9
69.07072	4.7
69.31295	2.8
70.06596	56.6
71.01365	0.6
71.04997	0.8
72.08158	1.6
73.02917	1.2
81.03408	0.7
84.04508	2.0
84.08149	5.3
85.02910	2.4
86.06079	3.0
86.09711	100.0
88.03999	0.6
91.05481	0.4
93.07018	0.5
97.02885	1.2
98.06071	0.4
98.09707	1.4
99.04431	0.5
101.07133	0.4
102.05552	0.9
105.06970	0.4
110.07169	1.3
110.09675	0.7
112.03963	2.2
112.08752	0.5
113.07143	0.6
114.05498	0.6
115.03918	1.1
115.32864	0.4
116.07110	0.5
120.05337	0.4
120.08104	1.4
126.12872	0.4
127.03925	0.6
129.10245	2.0
133.04985	1.0
136.07573	1.5
138.06648	0.5
140.14357	0.5
149.05928	0.5
150.09125	0.4
152.07008	0.5
157.09676	0.3
170.08105	1.0
174.13472	0.4
180.11092	0.4
185.09210	0.8
197.12968	0.5
203.10278	47.7
225.12373	10.3
243.13422	14.1
276.12000	0.5
288.89896	0.4
316.18704	0.7
328.22305	6.0
356.21808	7.7
425.88541	0.4
455.90891	0.5
505.66272	0.5
505.85178	0.5
510.86209	1.1
511.26056	1.1
519.06281	0.5
537.26825	1.1
548.06390	0.5
553.07269	0.4
559.21155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
54.38446	1.4
55.01873	2.1
55.05275	1.5
55.05513	15.0
57.03447	7.5
57.07061	2.7
59.04997	4.6
65.03951	3.2
66.38179	1.4
67.05511	100.0
69.07071	10.0
71.04976	4.5
71.08633	7.3
71.32828	1.3
73.32368	1.2
73.76618	1.3
79.05498	22.8
81.03403	4.1
81.06597	2.5
81.07066	37.5
82.85152	1.2
83.04980	7.5
83.08617	11.5
85.06533	2.9
91.04987	1.6
91.05496	18.3
93.07050	27.3
95.04977	6.4
95.08614	19.7
97.06522	4.9
97.10163	4.2
98.21529	3.8
99.08093	6.3
105.04502	2.2
105.07047	10.5
107.04951	1.8
107.08605	14.0
109.06504	3.8
109.10165	62.2
111.08090	3.8
117.07023	4.3
119.08579	12.1
121.06530	2.5
121.10157	7.3
123.08048	1.7
123.11696	1.8
125.09628	4.7
131.08592	6.4
133.10123	7.1
135.08096	1.5
135.11697	4.1
137.09625	2.5
139.11150	2.2
141.58514	1.4
145.10185	2.4
147.11707	3.5
149.13249	5.1
151.11197	7.1
155.10680	4.3
157.10156	1.5
159.11684	4.7
161.13297	3.0
163.11151	4.7
173.11752	13.5
177.12798	1.9
179.14374	2.3
189.11201	2.5
195.13852	3.5
199.56099	1.4
210.14891	2.7
227.12791	6.9
229.14372	42.8
241.19621	2.4
251.16422	1.9
259.20667	1.9
267.16003	2.3
269.17529	7.3
277.21725	7.0
313.27393	3.3
327.21616	2.3
333.24252	1.5
349.82938	1.3
351.25305	13.3
369.22256	1.6
380.19650	1.4
383.24197	4.1
394.44931	1.4
399.23776	2.3
407.27841	3.2
423.27448	95.1
505.35059	13.4
558.35144	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
55.05511	0.4
55.69984	0.1
56.05038	1.0
57.03439	0.7
57.05813	0.3
58.06589	0.4
60.04521	0.7
60.05657	0.3
61.02918	0.3
67.05508	0.4
68.05027	1.2
69.03436	0.6
69.07071	6.2
69.95569	0.2
70.02966	0.3
70.06594	45.3
71.01357	0.3
71.06909	0.4
71.21852	0.2
72.08156	3.0
73.02909	0.5
73.08486	0.2
74.06059	0.2
76.03209	0.1
79.05505	0.2
81.03431	0.2
81.07040	0.2
82.21117	0.2
83.16848	0.1
84.04517	1.1
84.08147	4.0
85.02907	1.3
85.08477	0.2
86.06075	2.2
86.09708	100.0
87.05608	0.2
87.10034	0.3
88.03975	0.2
91.05473	0.4
93.07042	0.4
94.06573	0.2
96.04494	0.2
96.08142	0.3
97.02902	0.7
98.06079	0.2
98.07197	0.2
98.09682	0.5
101.07130	0.2
102.05551	0.6
106.05083	0.2
108.56599	0.1
110.07172	0.4
110.09692	0.3
112.03967	1.7
112.08745	0.3
113.07105	0.3
114.05532	0.2
115.03937	0.5
116.07076	0.4
119.04946	0.2
120.08088	1.1
121.06516	0.3
122.06011	0.2
124.07645	0.2
127.03889	0.3
127.08626	0.2
129.06586	0.4
129.10243	1.4
130.05029	0.5
133.04961	0.7
134.05992	0.2
136.07555	0.9
138.06636	0.2
138.09146	0.3
140.07159	0.2
140.14346	0.3
147.04369	0.2
149.05965	0.3
152.07043	0.4
155.08116	0.2
159.09142	0.2
162.09146	0.2
166.08649	0.3
169.09732	0.2
170.08116	0.3
174.09152	0.2
185.09169	0.5
185.16512	0.5
186.09093	0.2
187.10788	0.5
197.12830	0.6
199.18022	0.4
201.12317	0.3
203.10271	40.8
213.16023	0.3
214.11786	0.2
215.10233	0.4
215.13919	0.3
225.12350	11.0
227.17491	0.4
229.11789	0.2
243.13414	17.8
267.07553	0.2
316.18619	0.9
328.18655	0.6
328.22305	4.9
342.20279	0.2
342.24655	0.2
356.21799	8.4
397.12659	0.2
399.25714	0.2
425.71765	0.3
425.89120	0.2
426.04916	0.3
427.25293	0.2
435.56204	0.2
505.85251	0.2
507.45572	0.2
508.16968	0.2
510.65933	0.3
510.86331	0.7
516.05463	0.2
516.44519	0.2
526.66632	0.2
534.06775	0.2
537.06805	0.2
537.26965	0.2
537.67908	0.2
558.20428	0.6
563.68219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01878	7.9
55.05519	8.0
56.05039	2.8
57.03438	8.8
57.07077	2.2
59.04987	2.2
61.02922	5.0
64.71098	1.4
65.03928	2.9
66.41656	1.7
67.05504	15.6
68.05037	10.6
68.99784	1.9
69.03429	21.4
69.07067	11.6
69.37531	9.9
69.37961	2.3
70.02954	1.8
70.06591	19.4
71.01335	2.6
71.05002	8.7
72.08161	3.5
73.02918	7.2
74.06038	1.8
77.03891	1.6
79.05501	11.9
81.03412	14.1
81.07066	24.8
83.04987	5.9
83.08620	4.9
84.04506	5.3
84.08155	18.7
85.02909	43.7
85.06547	26.4
86.06062	9.9
86.09718	7.4
87.00827	14.2
87.04484	2.1
87.05602	1.6
91.05481	20.0
93.07046	37.8
95.04987	12.0
95.08609	53.4
96.04494	2.9
97.02908	20.2
97.06538	41.9
97.10162	2.4
98.09700	5.1
99.04463	11.8
99.08110	3.2
103.03949	2.1
105.01868	13.2
105.07033	36.7
107.04958	2.7
107.08598	38.6
109.02879	12.9
109.06532	6.0
109.10162	19.2
110.07180	3.3
110.09671	2.1
111.08059	7.7
113.09661	14.0
115.03944	3.3
115.05424	2.0
115.08741	1.8
117.07042	7.7
119.08585	100.0
120.08094	2.1
121.06512	9.1
121.10151	34.9
123.08084	6.5
123.11717	6.3
125.09628	5.1
127.03937	24.5
127.07511	2.0
128.06198	2.3
129.01804	1.7
129.06979	4.6
129.10229	4.5
131.08572	25.1
133.04997	3.4
133.10136	28.7
134.06038	2.1
135.08066	9.9
135.11713	13.3
136.07593	6.8
137.09624	10.0
139.11172	4.5
140.14281	1.5
141.07021	2.2
142.07785	8.3
143.08592	19.8
144.09352	3.4
145.04984	7.8
145.10123	42.5
147.11690	15.3
149.09618	37.5
149.13271	2.0
151.07544	1.8
151.11211	3.8
153.09111	2.3
155.08578	5.5
155.10646	3.2
156.09355	7.4
157.10138	48.4
158.10898	2.6
158.15445	2.0
159.02914	5.4
159.08105	2.2
159.11691	31.6
161.09648	4.3
161.13214	11.9
163.11188	6.6
165.09055	2.1
167.10693	7.3
169.10109	6.2
170.10934	2.2
171.11691	31.9
173.13255	16.3
175.11160	3.1
175.14862	11.6
177.12830	2.5
179.10623	1.9
179.14351	6.1
182.10954	2.0
183.11752	15.1
184.12459	2.9
185.09496	1.6
185.13292	10.1
187.14838	36.0
189.12787	3.5
189.16479	3.3
191.14389	2.2
197.13292	9.8
199.14812	42.5
201.12689	4.4
201.16457	4.6
205.15982	1.6
211.14864	3.0
213.03877	2.2
213.16315	3.3
215.14330	4.4
215.18037	3.1
217.15927	14.8
219.13855	1.8
221.13318	2.0
227.17950	27.3
229.19446	3.9
231.05002	3.8
231.17499	2.2
235.16891	2.5
239.17964	16.2
241.19540	2.0
245.19020	46.6
247.20665	2.0
257.16263	3.3
257.19006	58.7
259.20575	1.8
263.20114	5.0
275.20068	78.6
293.21097	46.7
303.20966	1.6
309.50366	1.6
447.89325	1.9
456.33154	1.8
461.25027	3.1
487.23254	9.9
505.24261	8.9
506.05099	2.1
510.66293	5.2
510.86542	3.8
511.06467	3.4
511.26770	2.5
521.06311	1.8
523.26172	3.0
525.45642	1.9
558.33356	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
55.05511	1.6
56.05031	1.5
57.03437	1.6
60.04521	0.6
67.05492	1.2
68.05033	1.5
68.48093	0.5
69.03428	1.6
69.07057	1.1
70.02961	0.5
70.06593	57.2
71.01380	0.5
71.04990	1.7
71.06927	2.9
72.08162	4.4
73.02921	0.8
74.06065	0.8
79.05489	0.8
81.03428	0.7
81.07076	1.0
83.06097	0.7
83.16912	0.5
84.04522	2.8
84.08144	11.1
85.02913	3.1
85.08496	0.7
86.06076	2.7
86.09708	46.4
87.09508	0.5
87.10044	2.5
91.05492	1.0
93.07059	1.2
96.08146	0.7
97.02917	1.1
98.06059	0.7
98.09696	5.0
102.05544	1.2
105.07039	1.2
109.10168	0.8
110.07174	2.2
113.07139	0.8
114.05537	0.6
115.03989	0.6
115.08680	1.0
116.07075	1.0
119.04974	1.0
120.08105	2.8
121.06490	0.8
126.12794	1.2
127.00051	0.7
127.03855	0.6
129.10248	4.0
129.29395	0.5
130.05025	1.2
136.07593	1.3
140.14351	1.7
147.04439	0.8
147.07825	0.6
152.07095	0.6
157.13470	0.6
166.08632	0.8
168.06590	0.9
183.14970	0.7
185.04216	1.2
199.10847	1.2
199.18066	7.2
200.18442	1.1
211.14450	1.1
215.08469	0.6
217.11833	38.4
218.12178	5.4
227.05341	2.2
227.17546	10.0
228.17929	1.9
271.04349	6.0
308.02896	8.8
309.03680	13.2
330.20251	4.5
330.30753	0.6
331.20706	0.8
340.26147	1.5
345.04617	3.0
353.10791	0.6
450.24380	0.6
471.08881	3.9
501.60287	0.6
507.19464	2.7
513.10071	15.1
519.50598	0.6
522.66718	0.6
522.74377	0.6
525.20673	1.3
530.06592	0.7
539.07953	0.6
556.30756	1.5
557.09039	100.0
557.22980	2.5
557.30927	2.1
558.09186	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.9657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58114	0.2
54.98627	0.4
56.96568	5.0
69.54417	1.1
69.54828	0.5
71.95276	1.8
86.87146	0.2
94.37925	0.2
98.21523	0.3
98.97588	77.3
116.98625	34.0
119.01916	0.3
130.93318	0.4
134.99667	10.3
140.00186	0.8
153.00774	0.6
154.93398	0.3
158.01247	0.4
172.94362	2.9
177.00923	0.6
190.95428	3.1
197.95238	0.5
208.96440	1.0
214.95366	3.9
216.98828	0.3
219.01979	0.4
230.98465	0.3
232.96454	7.1
232.98637	0.5
234.77969	0.3
240.98846	0.4
241.94171	0.4
246.91405	0.4
250.97514	2.8
251.98055	0.3
256.96423	18.6
258.99808	3.0
260.00150	0.4
260.99704	0.6
261.03088	1.7
262.03226	0.6
263.02896	0.3
272.94443	0.7
274.97513	100.0
275.97845	0.7
277.00897	2.8
278.01135	0.4
279.00793	0.4
283.00052	1.2
284.00082	0.8
284.99966	0.5
288.92188	0.3
290.95544	1.0
292.98572	46.8
293.98892	0.3
297.99048	2.7
298.97675	0.5
300.97763	0.5
301.01114	0.9
302.01181	0.5
303.00870	0.6
316.00217	1.1
316.98868	1.0
332.96680	0.5
388.92764	0.3
390.95267	0.3
396.94617	0.4
398.97696	4.8
401.00873	0.4
414.95380	37.7
416.93127	0.5
416.98663	8.4
430.93280	0.5
432.96457	35.8
434.99789	0.8
440.00177	0.6
444.02274	0.6
445.02426	0.4
448.94583	0.3
450.17880	0.3
450.97534	4.3
455.98062	1.9
472.94443	1.0
514.95844	0.7
556.96576	15.0
557.96552	0.3
572.94550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.05513	33.3
57.03444	10.5
57.07074	19.1
59.05006	2.5
65.03936	2.4
67.05505	43.8
68.20197	1.3
69.07072	41.7
69.72644	6.1
70.06596	11.9
71.04995	3.8
71.08634	9.7
72.08170	1.5
73.06557	2.2
79.05499	16.8
81.07056	54.0
83.04964	3.1
83.08151	2.5
83.08620	39.0
85.06530	4.0
85.10174	4.9
88.07624	5.3
89.06047	10.7
91.05487	10.0
93.07040	22.3
95.04992	1.4
95.08610	43.2
97.06531	10.2
97.10181	12.9
101.05971	1.3
102.09192	3.7
105.07028	5.7
107.08583	17.5
109.10155	17.6
111.08081	7.4
111.11761	2.8
112.23610	1.3
119.08587	4.4
121.10158	12.2
123.11693	7.2
125.09592	3.1
125.13290	1.5
132.10220	6.3
133.08618	5.6
133.10155	5.5
135.11700	3.6
146.11757	5.7
147.11670	3.4
149.13254	21.0
161.13235	2.6
163.02649	1.5
163.14857	1.6
165.16460	1.7
167.14311	10.1
170.30727	1.3
175.14838	2.3
177.11282	1.9
185.15404	3.4
212.23802	1.9
229.70006	1.4
241.18121	7.4
245.22670	10.4
256.26373	11.1
259.19052	100.0
263.23703	13.5
272.25955	2.0
283.26306	36.9
300.28949	19.9
311.29541	3.0
337.27371	58.6
342.54904	1.5
371.22845	4.3
429.37299	2.1
433.74478	1.5
447.38297	3.8
502.74554	1.6
513.80969	1.5
521.42017	59.6
556.53015	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77685	0.9
53.03950	1.3
55.01867	2.7
55.05514	8.5
57.03440	7.2
57.07081	29.0
57.33338	1.0
61.39984	1.0
67.05508	12.9
69.07071	11.2
69.18629	1.0
69.18903	10.0
70.06574	3.0
71.04971	2.3
71.08636	19.7
79.05495	16.8
81.07059	22.4
83.04980	2.1
83.08624	13.5
85.10193	10.5
88.07621	1.9
89.06017	4.2
91.05483	4.8
93.06484	2.0
93.07045	23.8
95.04997	4.6
95.08614	37.6
97.00630	0.9
97.02890	3.6
97.06525	2.8
97.10152	3.9
98.31497	1.0
99.04433	3.5
102.09171	1.0
105.07028	6.6
107.04990	6.1
107.08602	17.5
109.06522	1.3
109.10163	7.6
111.04417	1.4
117.07013	7.3
119.08577	5.7
121.06497	4.7
121.10149	10.6
123.11690	2.7
125.06014	1.9
130.07765	1.5
132.10184	1.2
133.08583	3.0
133.10136	2.5
135.08038	1.2
135.11697	33.8
139.07538	1.9
142.95306	1.0
145.09061	1.8
145.10133	21.8
150.79695	0.9
163.11186	45.0
163.12569	2.3
166.76230	1.0
181.12260	7.1
181.13635	1.2
209.11662	1.8
227.12790	66.3
239.23665	1.3
256.26328	3.3
257.24783	1.9
283.15399	69.5
283.26288	9.7
300.29114	6.1
311.29303	1.3
313.27374	100.0
371.22568	1.5
502.32169	1.0
521.38428	82.0
524.19153	1.0
556.52972	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74279	0.8
53.80305	0.7
54.41568	0.8
55.01848	1.4
55.05509	8.6
56.82463	0.8
57.03437	8.0
57.07076	31.4
65.03924	1.1
67.05502	12.5
69.07069	11.3
70.06594	7.3
71.04990	0.8
71.08631	19.7
71.29993	1.0
73.02926	1.1
75.86629	0.7
79.05486	11.1
81.03425	1.5
81.07056	17.8
83.04966	2.4
83.08624	12.3
85.06552	1.2
85.10189	14.3
87.04463	0.9
88.07630	3.9
89.06038	7.8
91.05477	2.7
93.07049	13.8
95.04984	1.6
95.08605	28.3
97.02880	1.8
97.06537	1.8
97.10175	5.5
99.04445	1.6
102.09188	1.6
103.07623	0.9
105.07028	3.5
106.33421	0.8
107.04943	3.2
107.08578	12.2
109.10170	7.6
111.11672	0.9
117.07049	3.3
119.08574	3.8
121.06516	2.7
121.10156	6.3
123.11729	3.1
125.06007	1.3
125.09647	1.2
129.47911	1.0
130.07762	1.0
131.10640	0.9
132.10225	3.7
133.08595	4.2
133.10136	1.6
135.11693	23.2
135.12726	1.2
139.07578	1.4
145.10112	12.9
146.11732	4.0
163.11177	25.3
179.58896	0.8
181.12202	4.3
212.23779	1.0
227.12779	33.5
239.23804	1.2
250.89729	0.9
256.26303	6.9
257.24686	1.7
259.15378	1.9
272.25967	1.4
283.15387	27.9
283.26303	27.4
300.28964	13.6
311.29675	2.2
313.27365	100.0
337.27399	3.2
371.22714	2.7
521.38379	59.6
556.52997	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
57.03447	1.1
60.04514	1.0
67.05512	2.0
68.05029	3.5
69.03439	1.6
69.07066	1.1
70.06599	11.8
70.70209	1.6
70.70540	0.8
70.95892	1.2
71.05004	1.2
72.08161	3.0
72.93806	2.0
73.02914	1.1
79.05515	2.7
80.05037	0.8
81.03426	1.9
81.07059	2.0
82.06556	1.3
83.04986	0.8
84.08149	8.6
85.02897	1.5
86.06076	5.3
86.09724	5.6
90.94823	0.9
91.04005	0.9
91.05489	2.6
93.07060	4.4
94.06550	4.3
94.24987	0.7
95.04991	1.0
95.07347	4.2
96.08134	9.1
97.02927	1.4
98.09690	2.2
103.05465	1.7
106.20766	0.8
108.08118	6.7
110.07185	1.5
110.09682	16.9
118.06532	0.8
120.08120	14.2
121.06515	1.3
122.06024	1.3
123.06791	1.1
124.07623	2.5
129.10263	2.3
130.97929	1.2
136.07568	7.0
138.05524	2.5
138.09149	16.8
138.10211	0.9
139.03908	1.1
140.14401	1.1
146.06038	1.2
147.04410	1.2
148.07584	3.0
152.07071	5.2
166.08650	32.6
172.03970	1.3
194.08122	6.5
199.08673	1.0
204.06572	3.3
209.10616	1.1
221.10828	1.2
223.08714	2.4
223.12286	1.7
224.09380	1.0
225.10284	4.0
227.08295	1.1
235.08644	1.7
236.09457	2.2
237.10243	8.8
238.11015	2.5
239.03598	1.2
239.08098	2.1
239.11829	2.1
241.09718	2.5
249.10243	9.8
250.11035	5.1
251.08177	5.4
251.11772	8.0
252.09015	1.5
252.12276	0.9
253.09731	8.6
253.13565	1.1
255.11378	1.8
257.04712	8.5
264.08972	1.6
265.09756	22.0
266.10458	2.2
267.07614	1.1
267.11310	4.4
267.15402	0.9
268.12042	1.6
269.09244	1.0
275.05942	1.5
277.09808	3.8
278.10477	9.1
279.07715	10.0
279.11328	11.9
280.12097	1.2
281.04681	1.7
281.09311	8.0
281.12473	1.6
282.10107	1.1
283.10925	7.0
287.10373	1.6
293.09256	9.2
293.12885	6.0
294.09979	1.8
295.10831	10.1
295.13980	1.8
296.11490	1.6
297.12381	3.2
299.10287	1.7
299.13684	0.9
306.09918	1.5
307.10562	1.6
309.08746	2.3
309.12161	1.9
311.10291	14.5
311.13763	1.1
312.11072	2.7
313.78824	1.1
321.08698	3.1
321.12302	1.9
323.10223	1.0
323.13947	1.5
324.11209	1.7
325.11801	5.4
327.09784	7.8
327.13425	8.0
334.09537	1.2
339.09766	8.3
339.13397	51.8
340.14078	1.4
341.11499	1.9
344.14102	1.0
352.10410	3.0
353.11240	2.6
359.12448	14.9
367.12872	15.4
369.14410	5.1
371.12256	7.6
371.16309	1.3
383.07837	2.4
384.13229	1.9
385.13956	1.4
399.15536	100.0
400.16177	1.6
401.17059	1.6
407.16068	1.0
418.17776	1.8
422.18011	1.0
446.17249	3.5
464.18192	13.0
466.17404	2.5
474.16605	3.7
478.19647	1.5
492.17648	32.1
496.12717	13.4
496.19666	0.8
506.19351	7.3
507.17395	6.0
524.20355	23.7
536.11359	0.9
538.21814	1.5
539.20215	1.8
556.17560	10.1
556.23834	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	555.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14966	0.4
55.01864	1.1
55.05525	0.9
56.05027	1.1
57.03443	2.2
58.06574	0.5
60.04498	0.5
60.05634	0.7
61.02907	1.3
67.05495	1.1
68.05035	3.9
69.03442	5.0
69.07069	0.9
70.06607	12.7
70.61372	1.0
70.61716	0.5
71.01340	0.5
71.04982	0.9
71.06955	0.6
71.25860	0.4
72.08167	4.9
73.02905	1.7
74.06064	1.4
81.03404	1.5
81.07041	0.6
82.06591	0.6
83.06082	0.5
84.04523	2.4
84.08160	9.5
85.02916	6.5
85.07661	0.8
85.08440	0.6
86.06082	5.4
86.09715	4.4
87.04471	0.8
87.05598	0.5
89.65306	0.5
91.05472	0.9
95.04955	0.6
95.08544	0.6
96.08111	0.5
97.02907	2.6
98.06084	0.5
98.09707	6.2
99.04436	0.5
99.10020	0.5
100.80588	0.5
102.05520	0.6
107.04978	0.7
109.02872	0.9
110.07201	2.6
112.08734	0.7
113.07130	0.8
114.05486	0.5
115.03921	0.6
115.08705	0.7
120.08118	1.1
121.06531	0.6
122.06071	0.6
127.03920	1.2
129.10265	4.2
130.05016	1.3
133.05020	0.5
133.10226	0.5
136.06142	0.6
136.07611	3.3
138.06664	0.7
140.03445	1.0
140.14363	2.2
147.04419	0.8
149.04599	0.6
155.08151	0.7
158.15413	0.6
166.07262	0.6
169.13358	0.8
172.06053	0.8
177.05469	0.5
189.06540	0.6
197.12692	0.4
201.06552	0.9
202.07291	0.7
203.08052	0.5
204.08842	7.5
209.10222	0.5
215.08115	0.9
216.08835	89.7
217.09682	0.6
218.10350	3.1
225.06471	6.8
226.07259	2.1
227.08060	0.7
229.09589	1.2
230.10406	9.7
240.08836	52.0
241.09583	2.0
246.09868	4.1
258.09988	3.1
268.08337	6.5
272.11453	4.3
275.22476	0.5
283.09436	1.4
289.15503	1.7
300.10953	53.2
311.08862	1.0
315.12164	0.9
333.13165	2.0
343.11450	1.1
361.02533	0.5
361.12558	4.8
375.14142	8.0
382.18878	0.9
393.15228	100.0
394.15161	1.1
440.56851	0.5
446.57437	0.6
455.90823	0.7
499.25012	0.6
502.65714	1.0
507.65454	0.6
514.65601	0.7
518.26202	1.2
518.45825	0.7
546.07837	0.5
554.78052	1.1
555.19592	3.0
555.27777	1.5
572.77875	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
55.05506	2.0
56.05037	2.4
56.56870	1.0
57.03418	3.3
57.50255	1.2
58.06608	1.5
60.05624	1.3
61.02921	2.6
67.05496	4.9
68.05045	5.9
69.03428	1.6
69.07056	1.4
70.06595	17.2
70.15875	2.5
72.08146	2.3
73.02921	1.8
74.06072	1.1
79.05483	2.0
81.03439	1.9
81.07055	2.7
84.04475	2.7
84.08141	14.9
85.02898	4.7
86.06068	10.8
86.09706	6.2
91.05483	4.7
93.07051	4.2
94.06564	3.2
95.08607	1.9
96.04479	1.9
97.02892	2.6
98.06057	1.2
98.09697	3.3
98.21432	1.3
99.55157	1.1
105.07031	3.3
106.06588	1.3
107.08620	2.2
108.04477	9.1
108.08091	6.8
109.10146	1.5
110.06009	2.5
110.07155	3.8
110.09693	1.5
113.07150	1.3
115.03922	2.5
118.06562	1.6
119.04976	1.5
120.08112	8.8
121.06524	3.0
121.10177	2.5
122.06042	1.8
122.09660	5.2
127.03889	1.5
129.10211	2.3
131.08598	1.2
132.04442	3.1
132.08076	6.3
134.09610	2.1
135.08023	1.4
136.07561	6.8
138.06601	2.3
143.08565	1.4
144.08049	5.6
145.08823	3.3
146.09615	4.1
147.04456	1.5
150.05473	1.5
150.09148	7.6
152.10602	1.5
157.07690	1.7
158.09613	5.6
159.09178	2.4
159.10365	8.6
160.03908	1.7
160.11188	12.6
161.12050	6.8
162.05484	2.9
168.06567	3.5
171.09146	2.0
172.07600	1.5
173.10706	1.8
174.09171	1.5
176.07103	2.0
182.08284	2.1
183.09224	2.7
184.09920	1.9
185.10617	2.0
186.09190	2.8
187.09995	1.7
187.12251	2.3
188.10712	13.1
189.11478	1.7
196.09842	1.5
197.10768	6.6
199.12326	1.5
201.10271	3.2
206.04445	1.9
211.08667	4.7
211.12277	3.3
212.13190	2.0
213.10210	5.0
213.13950	2.1
215.11880	7.4
216.12457	1.4
217.13449	1.9
224.09351	2.0
225.10246	9.5
226.10951	1.6
227.11752	4.4
229.09599	1.6
237.10056	1.5
238.07378	2.6
239.08188	4.4
239.11752	8.2
240.12541	3.2
241.09735	11.3
241.13380	3.0
243.11307	26.1
245.12877	2.8
248.05573	2.8
253.09744	6.0
255.11342	4.6
257.12900	4.9
267.07574	2.8
267.11288	6.7
268.12064	3.3
269.09378	1.1
269.12836	4.9
271.10785	4.9
271.14453	1.6
279.11276	2.2
281.09198	3.6
283.10825	3.3
295.10736	19.3
296.11539	16.4
297.12344	7.4
300.14679	1.5
307.10806	1.4
309.08801	1.5
309.12161	1.9
311.10190	3.9
313.11984	3.2
323.10217	13.1
324.11041	11.0
325.11853	8.6
327.09906	2.2
327.13486	1.7
328.14093	4.3
336.14886	1.8
341.11285	2.9
342.12503	1.9
343.12836	2.0
355.12872	5.0
356.13831	1.5
357.14490	3.9
376.25388	1.9
387.11743	2.7
420.19565	2.1
436.18726	1.8
446.56979	1.8
448.18411	3.4
449.90158	1.4
455.90863	1.4
464.18237	17.8
474.16299	3.7
492.17703	100.0
493.18048	1.3
496.20947	22.8
502.85458	1.9
503.05206	1.6
506.19000	3.4
510.18707	2.0
518.45782	2.5
518.85828	2.6
524.20331	61.2
525.20056	1.7
556.23254	5.7
556.31610	12.2
572.76874	1.4
573.79071	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	554.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75795	3.0
52.08226	3.5
53.03948	4.6
55.05518	37.4
57.03440	14.0
57.07074	7.7
65.84520	3.5
67.05170	4.9
67.05509	42.5
69.07076	33.8
71.04990	4.9
71.52577	4.8
76.58253	3.2
79.05500	29.0
81.07062	58.7
83.05013	5.4
83.08627	37.9
91.05477	14.7
93.07051	45.9
95.08609	41.7
97.06551	10.8
97.10166	11.4
105.07025	12.7
107.08607	28.8
109.10178	20.2
111.08127	4.1
117.07017	3.6
119.08599	6.6
121.10146	27.8
123.11735	6.0
131.08553	8.2
133.10110	8.8
135.11725	12.4
137.13290	5.6
145.10129	5.5
147.11742	7.3
147.45580	3.2
149.13266	21.9
150.31976	3.8
159.11667	8.3
161.13219	4.8
163.11169	4.3
167.14328	9.0
241.17999	9.7
243.21005	11.2
259.19064	100.0
261.22205	19.2
283.15274	4.7
311.25839	8.6
311.29233	4.1
331.96625	3.6
335.25824	58.8
445.36960	6.3
519.40765	50.2
554.54462	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	554.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.3
57.07083	33.7
62.90981	1.2
62.91351	1.4
69.07067	5.5
69.23135	11.7
71.08640	35.5
73.01975	1.2
73.06560	7.5
81.07045	2.4
83.08625	6.7
85.09715	2.4
85.10187	21.8
87.04469	4.0
89.06037	100.0
91.07590	1.7
97.10189	4.7
98.20798	2.8
99.11731	3.1
100.03909	1.4
103.88091	1.2
107.07030	3.4
111.11737	3.1
117.09117	6.5
125.13257	1.9
127.14813	2.4
130.08682	3.5
130.26169	1.3
131.07063	2.3
133.08607	55.9
135.11679	1.6
164.83836	1.4
177.11244	22.2
186.33356	1.7
198.85725	1.4
211.24214	3.9
221.13872	5.8
239.15025	2.8
283.17636	2.6
299.29459	10.9
327.20108	12.7
343.32123	4.8
432.39151	1.6
479.20328	1.6
537.43646	24.3
554.46790	2.4
554.54913	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.05270	1.6
55.05512	17.2
55.05764	2.3
57.03434	11.7
57.07065	4.2
65.03918	1.5
67.05507	59.9
69.07070	25.9
69.26028	3.3
69.26438	7.9
71.04978	5.2
71.08632	2.0
79.05493	13.5
81.07057	82.5
83.04943	2.1
83.08614	13.0
85.06544	14.3
91.05477	9.6
93.07045	10.4
94.20556	1.2
95.08610	82.1
97.06518	5.0
97.10155	5.5
99.08126	2.9
105.07031	9.2
107.08601	6.2
109.10141	10.4
113.69586	1.4
119.08590	7.8
121.10128	7.9
123.08096	3.0
123.11707	7.5
127.07468	1.2
133.10129	2.9
135.11673	3.6
137.13268	3.3
147.11700	12.3
149.13219	1.7
151.11137	1.5
165.12756	8.5
183.13788	4.3
201.14841	4.0
218.96727	1.3
224.64969	1.4
245.22701	1.5
257.17487	100.0
263.23679	3.7
337.27371	89.2
519.40472	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97550	0.9
53.03953	1.3
55.01859	2.8
55.05515	22.7
57.03450	7.4
57.07078	10.8
57.65765	0.9
67.05513	13.2
69.07073	25.5
71.04987	1.7
71.08637	7.6
71.52518	1.0
73.02921	1.3
79.05491	14.2
79.63440	1.0
81.07057	14.2
82.22404	0.8
83.04982	2.2
83.08160	1.7
83.08624	25.6
85.10187	3.2
89.06039	1.2
91.05471	3.6
93.07051	23.3
95.04961	2.7
95.08610	22.5
95.09180	1.6
97.02898	2.2
97.06558	4.6
97.10178	15.5
99.04458	3.2
105.07039	4.1
107.04949	3.2
107.08603	17.4
109.06522	1.9
109.10157	3.5
111.08055	1.3
111.11736	4.2
117.07027	5.2
119.08588	6.3
121.06522	3.4
121.10144	9.7
123.44828	1.0
125.05984	1.3
125.13178	1.0
133.10149	1.4
135.08104	1.3
135.11694	31.4
139.07576	1.7
145.10133	17.0
149.13181	1.0
163.11192	42.2
173.09625	1.0
181.12283	4.0
227.12784	46.5
237.22099	1.1
283.15417	38.4
311.25812	93.8
510.69931	1.0
519.36847	100.0
554.55023	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2988
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
55.05502	1.9
57.76597	0.9
67.05484	2.9
69.03424	1.1
69.07056	1.8
70.06583	1.5
71.52177	1.1
76.95882	0.8
79.05503	2.0
81.07023	1.7
84.08160	1.1
86.09689	1.4
91.03976	1.1
91.05481	1.3
93.07040	2.5
95.04914	1.0
95.08599	2.4
97.02891	0.9
98.06055	0.9
107.08557	1.0
109.10155	2.1
121.06528	1.3
121.10123	1.4
133.10109	1.1
145.10184	0.9
205.29532	1.0
208.78731	0.9
229.14348	0.9
300.89160	1.0
413.63812	0.9
541.06458	0.9
553.29828	100.0
554.29730	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.9
55.05514	1.5
57.03437	2.4
65.03947	1.2
65.22479	1.0
67.05506	4.5
68.05022	2.2
69.03426	1.4
69.07063	2.2
70.06602	7.9
71.01360	1.0
71.51315	1.5
72.08163	1.2
73.02927	1.7
79.05499	3.5
80.05013	1.4
81.03439	1.2
81.07064	4.7
83.08625	1.2
84.04518	1.6
84.08136	4.6
85.02898	3.8
86.06087	2.4
86.09711	2.9
89.03931	1.5
90.76749	1.1
91.05485	4.4
92.88174	1.2
93.05783	2.0
93.07043	1.6
95.04953	2.1
95.08592	2.9
97.02888	2.3
105.07020	2.6
107.07339	5.0
107.08582	2.1
108.08125	52.5
109.10183	1.9
110.07185	1.3
116.04948	7.2
119.08613	2.2
120.04533	1.3
120.08120	4.1
121.06519	2.7
121.08877	1.6
122.06067	2.2
122.09682	13.3
123.08015	1.2
133.04985	1.4
136.07582	7.3
136.11206	1.8
144.04472	12.1
145.10114	2.1
146.06071	2.3
148.07565	4.3
150.09155	52.0
151.82195	1.1
152.07068	3.4
160.03879	1.3
162.05511	5.0
164.07104	1.8
166.08629	1.2
166.12358	1.6
172.03937	47.1
174.05511	2.5
182.08200	1.6
190.04991	20.5
198.07687	3.3
204.06575	55.7
214.10832	6.5
223.08792	2.4
224.09450	1.2
225.10132	2.4
235.08571	1.2
236.09450	2.8
237.10196	5.5
238.11006	1.8
249.10165	2.7
251.08133	9.0
251.11732	2.0
252.09047	2.3
252.12630	1.3
253.09793	2.7
253.13506	1.9
255.11264	1.5
264.08990	4.6
265.09726	16.2
266.10477	4.1
267.11185	3.1
279.07654	14.8
279.11224	3.9
280.08432	4.6
281.09174	4.0
281.12863	9.4
282.09998	1.8
283.10849	1.6
292.08429	4.8
293.09183	14.9
294.10034	8.0
295.10760	2.8
297.12320	6.0
299.10172	1.6
301.11743	1.7
307.10712	4.7
307.62689	1.4
309.08755	2.4
309.12329	44.3
310.09494	1.8
311.10223	3.2
313.11771	3.5
320.07947	4.1
321.08688	1.5
323.10312	2.2
325.11838	4.9
327.13324	5.4
335.10196	6.1
338.08978	15.0
341.11279	14.8
341.15030	5.5
351.25031	1.6
353.11325	46.2
355.12903	1.7
359.12521	1.4
369.26382	2.7
373.13849	6.3
385.13885	17.5
434.21225	1.7
462.20404	5.9
490.19754	53.2
522.22394	100.0
523.22681	1.7
554.31348	2.6
562.25464	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31671	1.7
53.03952	3.7
55.01875	5.3
55.05511	6.0
55.06094	2.0
59.46569	1.9
59.67250	2.1
61.40882	1.8
62.06429	1.8
67.05518	9.9
69.03430	11.0
69.07063	9.4
69.81455	11.0
70.06588	3.8
71.04993	7.2
75.53467	1.8
77.03973	1.8
79.05504	13.9
81.03425	30.0
81.07072	26.1
83.04979	5.3
84.08158	2.9
85.02904	5.7
85.06548	9.3
91.05482	7.0
93.07054	36.4
95.04962	4.0
95.08619	8.5
97.02887	5.5
97.06542	9.5
98.20843	3.4
99.04465	19.3
105.06392	3.2
105.07041	32.1
107.08601	44.3
109.02886	35.2
109.06512	9.5
109.10149	3.9
111.04427	3.1
111.08076	6.0
113.06033	5.3
117.07063	5.2
117.92199	2.5
119.04928	4.9
119.08594	13.3
121.06499	18.3
121.10161	39.7
123.02385	2.1
123.08092	4.6
125.09651	2.1
127.03949	36.0
127.07507	2.3
130.07848	2.1
131.08591	5.3
133.10121	3.3
135.08055	8.0
135.11714	16.5
145.10132	37.3
147.04434	24.5
147.11694	3.8
149.06009	2.2
149.09648	16.5
151.07545	4.3
163.11197	85.5
163.12563	4.5
167.10698	28.9
169.08641	29.4
173.09653	7.8
181.12279	22.1
185.11766	10.2
191.10690	61.1
209.11777	53.9
227.12813	100.0
269.13876	12.9
269.34024	2.0
271.13239	5.1
289.14343	5.1
299.12839	3.1
317.13779	6.0
335.14999	5.5
353.15988	38.9
371.17102	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.6
55.01868	1.5
55.05518	13.9
57.03231	1.3
57.03446	12.5
57.07076	3.0
58.63042	1.6
59.69068	1.2
65.03940	2.1
67.05509	67.7
69.00198	1.4
69.07073	22.7
71.05000	8.4
71.08640	1.8
71.33798	2.0
71.34151	1.8
75.75867	1.2
79.05499	27.8
81.07065	100.0
82.29097	1.8
83.04977	2.2
83.08620	7.9
85.06556	13.0
91.05489	17.6
93.07053	28.1
95.08615	94.8
97.06530	5.8
97.10152	2.5
99.08087	4.1
105.07034	14.5
107.08607	16.5
109.10149	10.5
117.07030	2.8
119.08578	11.9
121.10173	15.0
123.08091	1.6
123.11703	8.0
131.08554	4.6
133.10135	6.3
135.11726	7.4
137.13264	4.8
145.10153	4.1
147.11707	14.6
149.13274	3.6
159.11684	2.8
161.13249	2.1
165.12776	9.5
165.13959	1.5
173.13268	3.1
183.13844	5.0
201.14882	3.3
243.21133	2.9
255.15916	1.7
257.17496	97.3
261.22165	13.4
317.24796	3.5
335.25818	77.2
517.38928	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.4
55.01867	8.1
55.05266	3.1
55.05512	26.6
57.03441	16.0
57.07067	4.2
60.96447	2.1
64.52617	2.0
67.05507	72.6
69.07074	27.5
71.04998	4.4
71.08640	3.9
79.05497	35.0
81.03432	3.3
81.06593	3.5
81.07063	62.4
83.04984	18.6
83.08607	13.0
85.06555	2.7
85.97320	2.2
91.05495	16.1
93.07048	46.8
94.36818	2.0
95.04963	4.2
95.08615	42.5
95.77106	2.1
97.06522	14.1
97.10156	12.9
99.08105	2.7
105.07024	11.8
107.08611	28.4
109.10145	17.6
110.92929	2.1
111.08080	7.4
117.07004	2.7
119.08588	8.8
121.10159	11.3
123.11712	5.7
127.07587	1.9
133.10144	9.6
135.11687	36.5
137.13249	2.8
145.10123	7.1
147.11717	3.1
153.12743	9.2
161.13260	3.9
163.11198	5.6
165.09183	6.6
181.12219	14.9
203.14384	2.3
255.15930	67.2
263.23795	2.8
335.25497	2.4
337.27377	100.0
338.27786	4.2
339.27884	3.3
406.16504	2.6
517.38873	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.1
67.05477	0.3
69.07056	0.2
70.06553	0.4
71.04936	0.2
79.05444	0.5
80.04977	0.3
81.07016	0.2
81.22305	0.2
82.06520	0.4
83.89176	0.2
84.08130	0.2
86.06036	0.2
86.09665	0.3
91.05472	0.7
92.20308	0.1
93.07048	1.4
94.06567	2.0
95.04926	0.3
95.07360	1.7
95.08566	0.3
96.08137	3.6
97.06494	0.3
98.09620	0.2
98.20740	0.5
103.05437	0.3
107.07310	0.2
108.04438	0.2
108.07439	0.2
108.08118	3.1
109.08853	0.3
110.09681	6.3
118.06488	0.3
119.07270	0.2
120.04475	3.3
120.08109	4.7
122.06022	1.0
122.09624	0.6
123.06764	0.5
124.07597	1.1
129.06943	0.2
129.10155	0.2
132.08095	0.3
134.05962	0.2
134.09581	0.2
135.32695	0.2
136.07581	3.6
137.08353	0.2
138.09142	9.1
146.06017	0.7
148.07591	1.4
150.05458	0.5
150.09151	0.7
152.07063	1.4
152.10619	0.6
152.35770	0.1
160.07573	0.2
162.09164	0.3
164.06995	0.7
166.08640	7.9
168.10175	0.2
171.09192	0.1
172.03839	0.2
174.09074	0.2
176.10684	0.4
180.10130	0.6
182.08218	0.2
182.11723	0.6
183.09213	0.2
185.10699	0.3
186.05458	0.2
187.38789	0.2
188.07079	0.3
190.04991	0.2
192.06474	0.2
193.07584	0.2
194.08128	1.1
195.09111	0.2
196.09828	0.5
197.10709	1.0
198.11536	0.3
199.08707	0.2
199.12228	0.2
201.10240	0.1
204.06435	0.2
204.09943	0.1
206.08080	0.2
207.08913	0.2
208.09694	0.2
209.10742	0.6
210.11417	0.2
211.08632	0.4
211.12267	0.6
212.09395	0.8
213.10229	0.5
213.13844	0.2
215.11696	0.2
218.08157	0.4
220.09702	0.3
221.10719	0.6
222.07719	0.2
222.11322	0.2
223.08604	1.0
223.12177	1.1
224.09366	1.1
224.13052	0.4
225.10219	2.9
226.10927	0.4
227.11783	1.0
233.10660	0.8
234.11424	0.3
235.08672	1.1
235.12306	0.5
236.09427	0.8
237.10223	7.0
238.10941	1.4
239.08183	1.5
239.11769	3.1
240.12424	0.2
241.09676	0.9
241.13345	0.3
243.11255	0.2
245.12787	0.5
247.08688	0.4
248.09315	1.6
249.10243	5.1
250.07275	0.1
250.10973	2.1
251.08142	3.3
251.11772	6.0
252.08890	0.6
252.12442	0.9
253.09720	4.7
253.13275	0.4
254.10497	0.5
255.11284	0.8
259.14319	0.3
261.10236	2.7
262.10986	0.9
263.08215	0.6
263.11777	3.4
264.08868	0.4
264.12485	0.3
265.09729	8.5
265.12820	0.3
266.10477	1.6
266.13144	0.2
267.08463	0.2
267.11276	5.2
267.14508	0.3
268.11935	0.4
269.09167	0.7
269.12793	0.8
271.10776	2.1
273.12357	0.2
274.07053	0.2
274.13187	0.2
275.08179	0.3
275.11679	0.2
276.08887	0.4
277.09744	2.5
278.06909	0.4
278.10492	3.6
279.07654	3.5
279.11270	8.6
280.08884	0.2
280.11981	1.8
281.09201	2.6
281.12793	1.7
282.10031	0.7
282.13596	0.4
283.10785	6.2
283.14011	0.3
284.11328	0.4
285.12347	0.7
287.13858	1.3
289.09698	5.2
290.10358	0.8
291.07889	0.3
291.11252	2.1
292.08331	0.3
292.11966	0.2
293.09201	1.8
293.12830	3.9
294.10016	5.3
294.13486	0.5
295.10867	3.6
295.14334	0.7
296.11591	2.2
297.08713	0.7
297.12341	1.5
298.09476	0.4
299.10287	1.6
299.13620	0.2
300.11099	0.2
302.06702	0.1
305.09164	0.3
306.09985	1.0
307.10788	2.0
308.11435	1.0
309.08792	0.4
309.12228	2.6
310.13046	0.4
311.10229	6.2
311.13916	2.1
312.11060	2.3
313.11795	1.9
314.12515	1.5
315.13510	0.3
316.14456	0.2
317.09131	1.1
318.15677	0.2
319.10690	0.3
321.08643	0.5
321.12308	0.7
323.10245	1.0
323.13931	1.3
324.11096	1.6
325.11859	1.4
326.12601	4.8
327.13379	7.8
328.14124	0.3
335.10245	7.8
336.10822	0.3
337.08203	0.3
337.11728	0.7
339.13388	52.6
340.10425	2.7
340.13876	0.4
341.11426	0.2
341.15140	0.2
342.16043	0.3
344.14029	0.2
349.11850	0.3
352.10580	1.3
353.11209	0.6
354.12109	3.7
354.16101	0.2
355.12885	13.5
356.13718	0.2
358.15591	0.2
367.12888	29.6
368.13336	0.5
370.15375	0.2
371.12329	0.4
371.16492	0.2
374.14975	0.4
376.16629	0.2
386.14709	0.8
387.15527	0.9
390.18353	0.2
399.15604	0.6
400.16595	0.5
402.18005	0.3
404.15823	0.2
418.17685	0.5
419.18393	0.2
428.15823	0.2
430.17474	0.4
432.19257	0.4
436.19125	0.5
442.17740	0.3
444.19424	0.2
447.17917	0.3
451.20990	1.1
460.18832	1.2
464.22443	0.4
470.17233	0.5
474.20422	0.3
479.20554	2.1
488.18188	11.4
489.18481	0.2
492.21277	4.5
502.19772	0.4
520.20801	100.0
521.21167	1.3
538.21869	0.3
552.23450	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	552.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81028	0.1
53.03927	0.2
56.04997	0.2
58.39043	0.1
65.03924	0.2
65.76263	0.1
69.03392	0.2
69.07040	0.2
70.06599	0.8
70.86124	0.1
70.95932	0.3
72.08117	0.2
79.05431	0.7
80.04984	0.3
81.03387	0.3
81.07053	0.2
82.06551	0.4
84.08085	0.4
85.02860	0.2
86.09641	0.5
89.38646	0.1
89.44083	0.2
89.46889	0.1
91.01010	0.1
91.05434	0.6
91.32639	0.1
92.04987	0.2
93.07044	1.4
94.06571	1.6
95.04939	0.3
95.07355	1.3
95.08566	0.2
96.08136	3.6
97.02848	0.2
97.06499	0.3
97.10081	0.1
98.09657	0.3
104.04945	0.2
105.05730	0.2
106.06540	0.2
107.07267	0.2
108.04454	0.3
108.08118	2.9
109.08841	0.2
110.09686	5.4
118.06519	0.3
120.03777	0.2
120.04463	1.9
120.08115	3.9
121.06450	0.3
122.06004	0.8
122.09624	0.7
123.06748	0.3
124.06715	0.2
124.07601	1.7
127.37636	0.2
132.08076	0.4
133.05998	0.2
134.05959	0.3
134.09612	0.3
135.06769	0.2
136.07581	3.7
137.08321	0.3
138.09148	6.5
144.08044	0.2
146.05951	0.5
147.04340	0.3
148.07570	1.2
150.05464	0.3
150.09174	0.9
151.06256	0.4
151.09883	0.2
152.07068	1.7
152.10689	0.7
154.04941	0.2
160.07515	0.4
162.05518	0.2
162.09102	0.3
164.07088	0.8
166.08643	8.6
168.10168	0.4
172.03894	0.6
174.05408	0.2
174.09039	0.2
176.10727	0.2
177.05415	0.3
177.07785	0.4
178.08537	0.2
180.06592	0.2
180.10185	0.9
182.08112	0.2
182.11705	0.6
184.09882	0.2
185.10687	0.4
187.12280	0.2
190.04990	0.4
192.06616	0.3
192.10161	0.5
194.08107	1.3
195.09154	0.3
196.09685	0.9
197.10730	1.0
198.11531	0.1
199.12274	0.3
204.06560	1.1
207.09039	0.2
208.09714	0.1
209.10742	0.8
210.11356	0.4
211.08612	0.6
211.12239	0.6
212.09445	1.0
213.10214	0.8
215.11720	0.2
218.08041	0.2
220.09868	0.2
221.10669	0.3
222.11462	0.3
223.08704	1.2
223.12253	0.9
224.09448	1.0
224.12943	0.2
225.10219	2.8
225.13696	0.2
226.11009	0.7
227.11789	0.8
228.12517	0.2
229.09819	0.2
233.10722	0.5
234.11417	0.2
235.08723	1.0
235.12337	0.2
236.09250	1.6
237.10229	6.1
237.13843	0.3
238.10945	1.3
239.08160	1.6
239.11787	3.0
240.12502	0.3
241.09789	1.1
241.13251	0.2
243.11259	0.2
245.12819	0.3
247.08478	0.2
248.09378	1.0
249.10233	4.1
250.11018	1.7
251.08128	2.8
251.11769	4.7
252.08987	0.7
252.12514	1.1
253.09741	3.4
253.13354	0.3
254.10466	0.6
255.11353	0.9
257.12781	0.3
259.14273	0.3
261.10223	1.6
262.10980	0.7
263.08151	0.8
263.11752	2.1
264.08932	0.4
264.12598	0.3
265.09741	7.3
265.12885	0.2
266.10553	1.5
267.11285	3.9
267.14621	0.2
268.12146	0.6
269.09247	0.4
269.12823	0.6
271.10794	2.2
273.12329	0.3
276.08975	0.2
277.09732	2.0
277.12747	0.3
278.07233	0.3
278.10483	2.9
279.07657	3.0
279.11255	7.2
280.08432	0.4
280.11987	1.2
281.09192	1.9
281.12750	1.5
282.09961	0.9
283.10785	5.4
283.14023	0.3
284.11594	0.3
285.12271	1.1
287.13925	2.6
289.09702	3.1
289.15402	0.3
290.10641	0.3
291.07849	0.3
291.11172	1.4
292.08444	0.2
293.09180	2.3
293.12805	3.4
294.10013	3.6
294.13412	0.4
295.07693	0.3
295.10742	2.2
295.14294	0.5
296.11523	1.7
297.08743	0.6
297.12314	1.6
298.09421	0.5
298.12839	0.2
299.10220	1.9
299.13867	0.6
302.12912	0.3
305.09222	0.3
306.09888	0.9
307.10791	1.7
308.11469	0.9
309.08777	0.4
309.12238	1.8
310.09396	0.2
310.13055	0.3
311.06570	0.3
311.10233	5.3
311.13895	1.6
312.11060	2.5
313.11795	1.7
313.15399	0.4
314.12631	1.6
315.13437	0.3
317.09113	0.5
319.10721	0.2
321.12155	0.7
323.10223	0.8
323.13913	0.8
324.11078	1.9
325.11853	1.8
326.12637	3.8
327.13400	7.7
328.14328	0.3
330.16153	0.2
335.10260	3.9
336.11087	0.2
337.11801	0.9
339.10184	1.4
339.13394	37.6
340.10437	1.5
340.14127	0.4
341.14890	0.4
342.16107	0.3
343.12964	0.3
344.14169	0.2
349.11874	0.2
352.10733	0.8
353.11603	0.9
354.12140	2.2
355.12872	7.3
356.13528	0.2
356.17618	0.2
357.14987	0.3
358.15314	0.3
360.16815	0.2
367.12891	11.6
369.14624	0.3
370.15775	0.2
371.12299	1.8
371.16269	0.7
372.12946	0.2
374.14792	0.4
376.16559	0.4
384.12967	0.2
385.13937	0.5
386.14771	2.1
387.15555	2.6
388.16428	0.4
390.18143	0.4
399.15555	4.1
400.16440	0.3
402.18127	0.3
415.15021	0.2
418.17603	0.5
420.19080	0.2
432.19382	0.3
436.18457	0.2
442.17365	0.2
447.17880	0.4
451.20959	0.6
452.21976	0.6
460.18796	1.1
460.24319	0.2
464.17587	0.2
470.17200	0.4
474.20233	0.4
479.20508	2.1
488.18228	2.0
492.21298	2.1
502.19684	0.4
520.20844	20.5
524.23785	0.6
534.22443	0.6
552.23407	100.0
553.23834	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1032
Annotation	Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
Peak:m/z	Relative Intensity
52.79760	0.2
53.03949	1.7
55.01878	1.9
57.03442	1.2
57.36113	0.1
61.02932	1.0
62.38305	0.1
65.03968	0.2
66.91123	0.2
68.99789	1.3
69.03436	6.9
70.06573	0.3
71.01344	0.2
71.04992	1.1
73.02916	1.7
81.03422	8.1
83.79701	0.2
84.08163	0.2
85.02911	12.4
86.09700	0.2
87.00316	0.3
87.00838	5.0
91.03938	0.6
92.91186	0.1
93.03416	0.3
95.04930	0.2
97.02301	0.2
97.02892	4.0
98.09708	0.3
99.04456	2.8
105.01871	2.6
108.91928	0.2
109.02131	0.3
109.02885	7.0
111.00813	1.1
115.03944	0.2
116.03855	0.1
117.01855	1.3
121.02882	0.6
123.04446	0.3
127.03924	9.8
129.01804	0.7
129.10246	0.3
135.04465	0.2
137.02354	3.3
145.03925	0.2
145.04968	3.0
147.02881	0.6
147.04448	0.2
149.02365	0.3
153.01826	3.1
154.56068	0.2
159.02901	4.1
161.05974	0.2
163.03859	0.5
165.01868	1.7
166.02609	0.2
173.06032	0.3
177.03989	0.4
181.87990	0.2
183.02914	0.9
183.04402	0.3
187.03911	0.2
191.03372	0.2
195.02917	0.3
201.05492	1.7
207.02808	0.1
213.03935	0.3
219.02925	0.3
219.06480	0.4
228.04108	0.3
229.04961	3.6
231.04997	1.2
247.06049	0.6
257.04428	2.5
274.04755	0.6
285.04053	1.1
286.63400	0.2
302.23877	0.2
303.05002	100.0
304.05344	0.4
345.06067	0.3
347.07605	0.3
467.89136	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
55.01870	10.4
55.05515	25.6
56.05855	2.5
57.03441	16.7
57.07077	4.2
59.04998	2.4
65.03908	3.2
67.05511	74.2
68.05857	3.9
68.89491	2.3
69.07073	24.6
69.36817	2.7
71.05011	5.4
71.08617	2.9
71.18345	2.5
79.05502	54.0
81.03426	7.1
81.07062	67.5
83.04986	23.2
83.08656	12.9
83.09057	3.3
83.15885	2.6
85.06548	4.5
91.05479	29.3
93.07050	74.9
93.07635	4.5
95.04989	3.4
95.08610	47.6
97.06532	15.4
97.10160	12.3
105.07061	13.3
107.04927	2.7
107.08595	44.1
109.10160	20.2
109.46223	2.9
111.08099	5.4
117.07006	5.9
119.08605	17.5
121.10159	21.2
123.11713	6.8
125.09670	2.6
131.08588	7.7
133.10120	13.7
135.08052	3.3
135.11700	55.0
145.10127	16.6
147.11737	5.5
149.13269	3.9
153.12767	12.7
159.11617	4.5
161.13358	4.9
163.11218	7.5
173.13217	4.0
181.12244	21.9
199.13388	3.3
229.70340	2.7
243.21037	4.7
243.43948	2.4
255.15938	100.0
261.22174	10.4
317.24719	3.1
335.25827	99.9
515.37292	73.5
532.40247	9.3
550.40900	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.0
55.05509	17.3
56.05032	4.0
57.03436	16.7
57.07066	3.4
61.02917	13.2
64.72591	3.4
66.14715	3.2
67.05499	27.8
68.05019	4.3
69.03147	2.9
69.03435	32.4
69.07073	36.1
70.06598	28.6
71.02845	5.2
71.03183	3.9
71.04983	9.9
73.02919	66.8
79.05495	21.0
80.20262	3.3
81.03411	9.4
81.07053	55.2
83.04975	5.8
83.08607	6.4
84.04488	4.3
84.08115	11.4
85.02904	64.1
85.06536	12.0
86.06035	3.4
86.09713	18.1
87.04471	7.5
88.03978	4.3
91.03968	4.7
91.05485	24.1
91.96838	3.2
92.35432	3.4
93.07044	51.2
95.04953	5.3
95.08606	78.3
97.02901	48.9
97.06538	32.9
97.10149	10.7
98.09707	3.9
99.04442	8.0
99.08054	6.6
103.05464	3.4
104.10760	3.8
105.07034	48.8
107.04963	3.8
107.08598	66.1
109.02859	7.8
109.06513	9.1
109.10167	58.0
110.07163	7.0
111.08069	7.6
113.09618	6.6
115.03941	25.9
117.06995	5.9
119.08578	40.1
120.08096	6.4
121.06519	7.7
121.10159	57.7
122.06073	3.2
122.09631	7.8
123.08050	6.0
123.11697	17.7
124.99984	7.2
125.09609	14.5
127.03963	20.8
129.10254	5.3
131.08530	9.8
133.01500	3.4
133.04962	21.0
133.10133	33.0
135.08026	6.3
135.11707	29.2
136.07594	7.9
137.09657	4.7
137.13254	4.1
139.11192	22.1
139.22195	3.5
145.04968	21.7
145.10121	5.4
147.11691	45.1
148.07581	3.3
149.13258	9.4
150.09116	15.8
151.11188	12.1
151.14877	3.4
153.12735	8.3
155.10667	12.5
159.11732	5.1
161.13242	16.8
163.05991	5.0
163.11195	4.7
163.14822	25.8
165.12711	25.4
172.03883	9.4
175.14851	9.5
177.16393	66.0
181.15891	9.8
183.13882	5.1
184.07335	20.1
203.17967	75.3
204.06590	10.9
221.19012	77.4
238.62375	3.5
239.20070	100.0
258.11337	6.9
259.07935	6.5
259.11755	8.9
303.23087	5.2
321.82913	3.4
369.11081	7.8
381.10922	8.2
475.64273	3.4
518.19183	8.0
550.21533	26.7
550.28973	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	550.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89885	0.4
55.01865	1.0
55.05513	1.9
56.05040	2.4
57.03428	1.3
58.06615	0.5
60.04525	0.8
60.05650	4.8
61.02916	0.5
67.05497	1.0
68.05016	2.0
69.03426	1.5
69.07068	7.5
70.02953	0.8
70.06592	59.7
71.05008	2.1
71.06933	1.0
71.52589	0.5
72.08154	6.2
73.02903	0.8
73.08492	0.7
74.06073	1.5
79.05493	0.8
80.05017	0.5
81.03402	0.5
81.07059	0.9
82.06569	0.9
83.04969	0.6
84.04499	2.6
84.08143	12.5
85.02915	2.3
85.04042	1.0
85.07675	1.1
85.08484	1.0
86.06075	2.2
86.09705	54.3
87.04466	0.9
87.05615	0.4
87.09232	0.5
88.03985	6.1
88.07623	0.5
91.05478	2.8
93.07077	0.8
94.06602	0.5
95.06086	2.5
96.04501	0.9
96.08147	2.6
97.02901	1.8
97.06546	0.4
97.07664	2.3
98.02425	1.6
98.06068	1.9
98.09691	3.8
99.10072	0.4
99.69011	0.4
102.05532	0.7
103.05463	0.6
104.05352	0.8
104.46523	0.4
105.07021	0.7
107.04932	1.0
110.07177	2.7
110.09705	1.3
112.08723	13.9
113.07130	2.6
113.10770	1.1
114.10310	0.8
115.03954	0.6
115.05074	0.9
115.08691	8.6
115.99928	0.4
116.03406	0.6
116.07079	4.0
120.08098	9.6
120.08924	0.7
120.22695	0.4
121.06497	0.9
125.07131	0.7
126.12792	1.2
127.03938	0.5
127.08682	0.8
127.13098	0.5
129.10240	3.8
130.04997	0.6
130.06503	0.6
130.09784	1.3
131.11794	0.6
132.10188	0.6
133.05034	0.7
133.06140	0.8
136.07594	3.1
137.02287	0.4
138.05534	0.5
138.06612	0.9
138.09123	1.1
138.15302	0.4
140.08212	1.3
140.10696	1.5
140.14377	1.6
141.10226	7.1
142.08611	1.2
147.04401	1.1
155.08157	0.5
155.11806	0.8
156.06592	0.9
156.10197	10.2
156.11368	2.2
157.10876	0.9
158.09241	4.4
166.08630	2.1
171.11362	0.6
175.11919	13.5
183.11298	2.2
183.14897	0.6
184.09734	1.6
185.10335	1.7
191.14377	0.5
192.15048	0.5
200.10638	1.0
201.12347	30.9
203.10422	0.9
204.10654	0.7
208.14236	0.5
210.08824	0.5
211.14438	1.8
220.35918	0.4
226.15216	0.6
229.11855	2.0
229.15501	1.1
238.15553	0.6
242.12923	0.7
253.16582	6.4
259.15421	0.7
262.15430	2.6
263.14142	1.7
270.19162	2.2
271.17639	2.4
288.13535	1.0
288.20297	21.4
293.47681	0.4
305.16083	9.9
308.16672	0.4
312.66919	0.4
322.18649	2.3
342.21445	0.9
367.75366	0.5
368.19635	1.3
385.21655	2.0
386.20352	0.8
388.23178	2.4
400.23676	0.5
403.23035	6.7
435.27158	33.1
436.27362	0.5
524.68817	0.5
533.26770	1.1
538.86322	0.4
550.29877	100.0
551.29797	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
56.05037	23.1
57.03428	2.0
58.06600	3.4
60.04509	1.0
61.01154	13.7
61.02927	0.6
62.70299	0.6
67.05497	1.7
68.05025	1.4
68.99810	0.6
69.03428	1.0
69.07056	0.8
70.02950	2.6
70.06593	23.1
70.65968	1.5
70.66361	1.2
71.04993	0.8
72.08159	4.0
74.05669	1.3
74.06081	23.5
74.55103	0.5
81.07044	0.7
82.06582	25.8
83.06094	1.0
83.07425	0.5
84.04510	6.0
84.08145	17.4
85.02908	3.1
85.08465	2.6
86.06069	1.8
86.09706	21.0
88.03996	5.7
91.05482	0.8
95.04936	0.9
95.08597	0.7
96.04476	0.7
97.02900	1.2
98.02434	1.0
98.06069	1.2
98.09673	3.4
99.05558	0.8
100.07627	3.5
101.07155	1.7
102.05541	1.1
104.05332	23.2
109.10188	0.8
110.06027	1.9
110.07180	1.7
111.05573	1.3
112.03965	0.9
112.07624	0.8
112.08762	0.6
112.11221	2.6
115.08671	0.6
120.08144	1.6
124.11230	0.9
125.07120	1.0
126.05527	9.5
126.12804	5.1
127.03983	1.0
127.08683	100.0
127.13097	1.3
129.06567	4.1
129.10266	3.2
130.05006	7.6
130.06853	2.3
132.10207	8.3
134.09630	0.9
136.03947	1.1
136.07590	2.0
137.02347	3.3
138.05522	1.3
141.10246	0.6
141.13907	1.5
144.06554	19.4
147.04372	0.9
153.06602	2.6
154.04997	2.7
155.08141	2.7
156.04778	0.9
158.11783	1.3
158.15416	0.9
169.13376	2.6
170.09290	0.8
171.07628	6.2
173.09258	1.1
173.12880	2.7
174.05861	2.4
175.09007	35.4
183.11293	1.2
186.05865	1.5
187.10942	0.6
187.14430	2.6
189.08694	16.0
197.12923	4.4
199.07155	5.2
201.07027	1.3
201.12271	1.0
202.10208	1.1
203.08507	23.9
215.13867	3.6
217.08205	41.4
219.08023	1.4
221.16501	4.6
226.08220	0.6
233.14960	18.0
233.17171	1.1
243.13445	2.4
246.12769	1.9
247.07446	8.3
262.49207	0.6
270.10855	0.7
279.13434	8.3
284.16110	3.7
288.12195	0.6
312.15591	2.5
318.11182	19.6
328.20105	0.7
330.11282	1.3
330.16574	18.1
348.12399	2.3
348.17749	9.8
350.17245	0.8
358.10519	1.0
374.13879	3.0
376.11786	1.1
376.22263	3.7
383.19263	0.7
387.22867	0.8
388.23361	2.1
391.16458	3.1
400.49722	0.7
401.14880	4.9
401.19766	1.0
405.13004	1.5
419.15958	26.3
461.20654	1.1
479.22009	1.2
486.24149	1.8
504.24518	0.8
514.16992	1.9
514.23523	1.8
532.18085	1.6
532.24518	15.2
550.28210	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	549.938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	7.7
55.05500	2.1
56.05019	7.1
57.03436	16.9
57.03839	1.9
57.41453	1.9
58.06584	5.2
58.77909	2.0
60.04506	9.3
60.05651	4.3
61.02925	4.2
66.95850	2.0
67.05493	2.3
68.05027	29.7
69.03438	15.8
69.07063	4.5
70.06593	23.7
71.01346	4.0
71.04978	3.3
71.51901	2.5
72.08167	12.2
72.52712	2.2
73.02932	13.8
74.06072	8.5
75.04450	4.0
76.03985	3.7
80.05027	2.2
81.03405	7.0
82.06567	4.8
84.04491	6.5
84.08149	47.5
85.02910	32.8
85.07672	5.3
85.08447	3.1
85.42853	2.0
86.06069	55.5
86.09702	17.2
87.05596	2.6
89.03895	3.1
91.05477	3.5
94.06517	2.4
96.04498	5.3
96.08154	2.5
97.02885	13.2
98.07154	2.9
101.07133	2.2
102.05548	2.3
103.03934	2.8
107.04951	2.3
109.02842	4.6
110.07157	11.5
110.09668	4.1
112.08701	4.8
113.07130	6.0
114.05533	7.0
115.03917	10.3
117.03411	11.8
119.04985	2.4
120.08083	3.8
126.09177	2.4
127.03932	14.8
129.01797	5.3
129.10236	15.8
130.04996	5.0
133.04953	9.0
134.06003	3.1
135.04419	2.2
136.07603	16.4
137.07060	2.6
138.06610	4.0
139.09790	2.3
145.01782	3.4
145.02852	43.0
146.05989	2.3
147.04384	6.2
148.07564	2.5
149.05975	4.3
155.08192	2.6
157.04901	2.5
166.05360	3.9
177.05475	100.0
193.09732	2.8
197.10577	3.5
209.10304	5.2
353.08606	8.2
391.92795	2.3
446.57452	3.1
449.90347	5.2
455.90417	5.8
456.23956	2.3
464.07541	2.3
497.25195	3.7
505.66498	2.8
505.86258	2.7
511.92737	3.0
535.26404	2.7
549.19232	2.9
549.30829	3.2
550.17694	4.5
559.88275	2.7
575.69153	3.2
577.29034	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	549.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.5
55.05519	18.4
57.03430	8.8
57.07079	3.0
58.08736	2.4
67.05512	79.4
69.03431	4.1
69.07077	20.1
71.04987	6.5
71.52110	2.9
79.05502	37.5
81.03427	5.0
81.07061	67.7
83.04980	8.6
83.08607	7.5
85.06545	6.6
91.05484	50.9
93.07048	45.6
95.04964	6.7
95.08615	42.1
97.06518	4.6
97.10186	3.4
105.07036	44.6
107.08602	42.4
109.06485	5.7
109.10162	69.8
113.06034	3.0
117.07027	3.1
119.08559	14.6
121.10169	17.7
123.08039	4.0
123.11713	10.5
127.07521	4.3
131.08568	10.7
133.10138	65.9
135.11674	16.7
140.77922	3.1
145.10094	5.8
147.11650	2.7
149.13258	4.9
151.11201	32.3
154.46719	3.2
159.11707	8.5
161.09657	3.5
161.13295	4.7
163.14803	4.9
169.12233	8.9
173.13193	6.7
175.68471	2.8
180.56319	2.5
184.07397	4.4
184.92920	2.7
193.12175	3.1
210.39713	3.0
214.25441	2.5
215.12804	4.2
243.21120	4.6
253.14383	100.0
261.22134	25.4
271.15421	33.6
279.23328	3.4
279.63678	2.7
321.27188	2.7
322.42264	2.7
335.25851	23.3
353.26428	3.1
424.19250	3.0
439.32251	4.2
457.33298	3.7
467.16125	2.9
513.35669	12.1
531.36664	30.4
549.40619	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	548.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
53.52895	1.4
55.01862	3.6
55.05512	15.7
57.03440	10.6
57.07055	1.8
61.02924	5.5
65.03926	2.0
67.05508	44.1
69.03411	2.6
69.07069	14.6
69.97321	6.6
70.06602	2.0
71.04984	3.6
73.02937	1.3
79.05498	34.2
81.03426	3.0
81.06592	2.3
81.07058	37.3
81.44060	1.4
83.04974	3.9
83.08622	8.9
85.02898	6.9
85.06551	3.8
91.03947	3.3
91.05483	27.3
93.07048	43.2
95.04987	3.4
95.08610	29.1
97.02895	3.7
97.06538	6.5
97.10168	6.9
98.20865	1.7
99.08101	1.9
105.07033	26.2
107.04942	2.7
107.08596	29.6
109.06519	4.4
109.10164	22.5
111.08096	2.5
116.67655	1.3
117.07030	10.4
119.08581	25.2
121.06499	3.3
121.10144	23.4
123.08073	2.5
123.11692	4.0
125.09614	4.3
127.03857	2.0
128.06233	1.4
129.07022	2.9
131.08568	13.4
133.10133	21.0
135.08121	1.4
135.11699	19.3
137.09625	1.7
139.11230	2.5
143.08525	3.5
145.10118	9.9
147.11699	18.4
149.09621	2.1
149.13264	11.2
151.11234	2.4
157.10144	5.1
159.11690	13.2
161.13240	10.6
163.11250	2.1
163.14818	2.2
165.12796	1.8
171.11682	4.7
173.11743	4.1
173.13278	7.8
175.14864	4.3
177.12767	4.3
179.14436	1.5
183.13847	1.3
184.07228	1.3
185.13275	5.0
187.14807	4.1
187.71774	1.3
189.11252	3.9
189.12787	1.5
193.15880	1.5
199.14854	2.1
201.16397	1.9
205.15915	1.8
208.25073	1.3
213.38330	1.4
217.15985	1.7
219.17384	1.7
221.15407	2.1
227.12805	2.7
229.14281	9.7
231.17635	1.3
231.20990	1.8
241.19539	11.5
245.13905	1.6
255.15863	1.6
259.20584	26.9
269.17487	2.7
277.21634	29.3
293.21173	1.6
333.24258	4.8
351.25308	100.0
353.71439	1.4
369.25974	3.2
495.29483	2.4
513.30414	3.8
548.27985	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	548.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.3
53.03941	3.6
55.01865	1.7
55.05515	11.7
57.03437	21.7
57.07079	2.5
57.49153	1.4
61.02917	5.0
65.03940	1.9
67.05511	43.6
67.05884	2.1
69.03426	2.8
69.07070	12.8
69.75484	7.4
70.06581	1.7
70.70824	1.3
71.04984	4.1
71.23863	1.3
71.51285	1.0
73.02883	1.4
79.05491	42.0
81.03413	5.3
81.07059	44.3
81.46405	1.4
83.04971	2.8
83.08615	8.7
84.08125	1.3
85.02902	8.5
85.06538	4.0
91.05485	40.8
93.07047	53.7
95.04973	5.0
95.08609	40.5
97.02898	5.2
97.06529	4.7
97.10168	4.0
98.09761	1.7
99.04462	1.4
99.08100	4.7
105.07036	35.3
107.08598	38.9
109.06514	5.3
109.10168	15.1
111.08072	2.9
113.09608	1.7
117.07014	14.3
119.08590	31.9
120.08127	1.2
121.06478	2.0
121.10150	29.9
123.08078	4.0
123.11691	3.5
127.03948	1.7
129.07002	5.3
131.07127	1.4
131.08559	19.9
133.10141	30.1
135.08051	1.6
135.11688	22.2
137.09631	2.1
143.08562	5.7
145.10139	19.2
147.11684	19.3
149.09621	2.3
149.13255	12.5
151.11147	2.0
157.10135	4.3
159.11684	20.5
161.13245	12.7
163.11226	2.8
163.14821	3.7
171.11707	8.4
173.13217	7.2
175.14793	6.8
177.12718	3.6
179.10828	1.5
179.14363	2.3
185.13258	6.1
187.14842	8.6
193.21361	1.4
199.14828	4.5
201.16393	4.0
205.15875	3.7
213.16324	1.9
219.17445	4.6
221.18900	2.3
229.14284	4.5
231.20978	2.4
241.19537	11.4
259.20566	32.1
269.17441	7.0
277.21671	26.9
295.22852	1.7
313.60809	1.2
333.24313	7.5
351.25320	100.0
385.22098	1.2
477.28207	1.7
495.29272	2.7
496.65338	1.5
513.30634	5.2
548.28857	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01865	2.4
55.05505	4.9
56.05032	1.7
57.03434	2.2
57.07074	1.5
58.43952	1.3
60.04540	1.2
61.02923	2.4
63.81617	1.1
67.05503	7.1
69.03435	14.6
69.07084	6.0
70.06599	17.5
70.44714	3.5
71.04996	7.9
72.08163	7.5
73.02908	5.0
79.05488	4.0
81.03425	13.4
81.07058	7.5
83.04964	3.3
84.04503	4.8
84.08157	13.8
85.02910	61.5
85.06525	2.1
86.06065	2.8
86.09223	2.2
86.09714	31.2
87.05576	1.2
91.03966	1.9
91.05481	8.0
93.07045	8.8
95.04957	2.3
95.08612	15.4
97.02896	29.7
97.06551	2.0
98.09696	8.9
99.04461	34.2
102.05531	1.2
103.03949	67.1
105.03383	2.7
105.07040	12.7
107.04946	1.6
107.08617	8.2
108.08149	1.2
109.02891	19.2
109.06522	2.0
109.10181	3.8
110.07169	2.2
110.09684	1.9
111.08098	2.7
113.05990	1.6
115.03951	2.2
117.07021	2.3
118.32999	1.1
119.04957	2.2
119.08589	11.7
120.08124	11.8
121.06508	4.7
121.10146	7.0
122.09692	1.4
123.08057	8.2
123.11682	1.2
127.03924	85.4
129.10240	5.9
131.08572	2.1
133.06494	4.5
133.10149	9.1
135.11705	48.4
136.07559	2.5
137.09613	2.0
140.14349	3.9
145.04970	52.3
145.10098	5.0
147.04420	4.7
147.08075	1.2
147.11710	8.9
149.02357	2.2
149.09607	6.1
151.07547	3.6
156.09373	2.6
157.08620	4.4
159.11696	1.6
161.09756	1.4
161.13263	27.5
163.06030	53.2
163.07401	2.8
163.11189	1.8
165.12665	1.5
166.08629	1.2
169.05008	1.2
171.11734	5.4
179.14342	5.1
180.10217	4.6
185.13251	1.1
187.06006	5.0
189.12753	22.4
199.18079	4.0
205.07057	4.1
207.13811	100.0
219.17561	1.6
225.14861	18.2
227.17490	3.8
251.14044	1.4
253.06952	1.9
270.18201	1.3
271.08182	7.0
289.09265	10.2
298.21323	3.5
307.10239	22.0
307.92395	1.4
319.28314	1.4
341.15744	1.3
435.18933	1.2
544.90558	1.2
548.20178	2.0
548.28101	2.6
548.35608	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02406	0.9
52.03779	0.8
53.03949	5.4
55.01876	7.4
55.05513	48.0
57.03439	19.1
57.07074	9.7
59.05001	1.1
65.03936	5.2
67.05507	96.3
68.05837	1.2
68.65504	0.8
69.03439	5.2
69.06688	2.0
69.07070	41.2
70.10129	1.6
70.10526	2.1
71.05000	6.6
71.08630	5.4
72.04511	5.8
73.06572	0.8
74.09717	2.0
79.05496	48.7
80.05819	1.1
81.03421	73.3
81.07058	97.3
82.07394	1.3
83.04985	10.4
83.08620	40.3
85.02914	1.5
85.06553	5.0
85.10197	1.8
91.04906	1.7
91.05485	41.6
93.07048	49.6
94.07381	1.4
95.04370	1.9
95.04974	38.4
95.08610	67.2
96.08958	1.9
97.02909	2.1
97.06520	9.1
97.10173	26.8
99.04490	1.0
99.08090	2.5
101.09713	0.8
103.05459	1.1
105.04517	1.0
105.07035	38.6
107.04967	12.9
107.08598	32.8
108.08951	0.9
109.06522	7.1
109.10155	32.0
111.04462	2.0
111.08096	8.6
111.11707	2.4
113.09663	1.7
115.05467	2.4
117.07018	11.0
119.04987	1.3
119.08584	29.0
121.06522	8.6
121.10148	23.4
123.04428	2.0
123.08092	4.4
123.11705	12.3
125.09627	13.7
128.06233	0.9
129.07013	12.3
131.08574	22.0
133.06514	4.2
133.10133	21.5
135.08083	6.0
135.11690	14.5
136.12050	1.0
137.09627	3.9
137.13280	4.5
139.11250	1.5
141.07086	0.9
142.07803	1.6
143.08585	4.5
145.06505	1.6
145.10118	12.2
147.08073	3.5
147.11713	12.2
148.44174	1.0
149.09636	5.7
149.13257	8.4
151.11156	2.3
151.14825	2.0
153.09116	1.1
153.12770	1.7
155.08565	1.9
157.10118	10.4
159.08041	1.7
159.11705	5.7
161.09619	1.7
161.13257	7.7
163.11198	9.4
163.14792	4.2
164.11545	2.2
165.12784	2.9
165.16425	2.0
169.10112	2.6
171.10252	1.6
171.11702	4.6
173.11891	1.8
173.13315	4.1
175.11160	7.2
175.14807	6.7
177.12798	4.8
177.16458	2.2
179.14369	1.4
181.15883	1.3
183.11717	1.3
185.13300	2.5
187.11263	1.1
187.14883	3.4
189.09488	1.4
189.11168	7.2
189.12662	1.0
189.16399	2.7
191.14432	1.7
191.17982	1.3
193.12251	27.4
193.15903	1.6
195.11734	1.3
197.13257	1.8
199.14862	2.8
201.16422	1.5
203.14403	1.7
203.17935	2.0
205.12303	2.6
207.13800	1.7
207.17398	1.1
211.13324	3.0
213.12825	0.9
213.16499	1.6
217.15984	1.2
219.13783	1.4
223.13232	1.6
227.10608	1.0
227.12807	15.6
228.11189	1.0
228.13251	3.7
229.13551	1.6
231.13690	0.9
241.17989	3.1
243.15894	1.2
245.22652	6.0
249.14928	5.6
261.18741	1.0
261.22125	1.8
263.23734	8.3
267.15918	63.4
269.17584	1.2
269.22647	1.3
275.20181	2.8
279.15924	1.4
279.23468	0.9
285.25974	1.7
287.23758	3.1
289.21603	5.4
299.23956	1.0
301.25330	1.9
303.23514	1.2
303.26831	13.6
305.24725	1.6
319.26517	1.4
329.21237	1.0
329.24783	1.4
337.27368	58.3
341.19473	0.9
341.28568	1.1
343.26599	1.3
349.23895	0.9
361.27463	1.8
363.25354	2.1
375.28650	1.0
403.24771	2.9
417.26422	1.4
419.33224	2.0
421.25980	2.7
427.35431	1.3
435.27469	1.9
437.34042	7.0
455.35236	20.1
473.36365	12.2
491.37509	1.6
493.37579	1.1
511.37817	2.7
529.38898	86.4
547.39899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63309	1.9
53.03958	2.2
55.01867	2.2
55.05515	14.8
57.03437	16.7
57.07070	4.1
59.04988	2.4
61.02922	4.2
67.05507	15.8
69.03432	11.3
69.07073	13.3
69.68959	6.5
69.69373	3.2
70.06596	3.7
71.01332	2.4
71.04990	76.7
73.02907	7.3
73.06567	2.5
75.04488	4.6
76.36145	1.7
77.17010	1.6
79.05498	17.1
81.03419	8.5
81.07056	45.0
83.05000	15.4
83.08626	9.0
84.08146	2.3
85.02906	100.0
85.06543	5.6
86.09705	2.8
87.04456	3.3
91.05493	11.4
93.07050	33.0
95.04964	6.2
95.08610	26.5
97.02908	11.7
97.06521	2.6
97.10165	6.7
98.09692	4.0
98.21467	3.3
99.04459	5.0
99.08095	5.1
103.03934	3.2
105.07038	20.0
107.08598	50.4
109.02856	4.4
109.06494	4.6
109.10152	20.6
111.04448	9.1
111.08087	4.0
115.03963	1.9
117.06998	3.3
119.08587	25.5
121.06456	1.8
121.10154	19.8
123.08060	5.6
123.11706	22.1
125.09618	21.7
125.10317	2.1
127.03922	6.1
127.11191	10.6
129.05495	26.1
129.06967	2.2
131.08563	5.7
133.04955	2.7
133.10133	22.1
135.08069	2.5
135.11697	55.3
137.05966	2.6
137.09616	4.2
137.13245	3.4
139.07599	2.2
143.08598	3.7
143.10674	67.4
145.04971	5.7
145.10109	6.9
147.06517	13.6
147.11694	13.9
149.09634	2.9
149.13246	10.5
151.07643	2.0
151.11188	3.9
153.12738	3.8
155.08533	2.4
157.10120	2.7
159.08046	2.8
159.11708	14.1
161.09628	2.5
161.13295	11.5
163.14799	4.0
167.10693	1.9
169.10143	4.0
171.11714	5.3
173.09544	2.2
173.13272	3.4
175.14853	2.4
177.12741	2.7
183.11696	2.8
185.13278	3.4
189.05450	1.8
189.12799	1.8
189.16368	4.6
194.88165	1.6
197.13155	3.4
201.11124	3.1
201.12798	3.2
201.16389	1.7
203.17943	22.1
205.19524	3.9
215.17966	3.5
221.19000	28.7
225.12746	2.0
231.17340	1.9
233.19070	5.1
239.20114	2.3
245.19049	2.8
255.08586	2.3
257.19031	3.2
263.20081	2.9
275.20050	3.4
287.14825	2.7
287.20053	2.4
301.14481	2.6
305.21359	2.4
311.20078	2.5
329.21173	2.9
331.22723	3.2
347.22031	4.8
349.23703	4.6
365.23206	4.4
367.25031	3.1
383.24323	9.6
546.77649	2.2
547.29645	2.6
565.95074	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72059	7.2
55.01884	9.1
55.05505	15.2
56.05023	11.7
57.03429	8.0
61.02931	12.2
67.05507	19.9
68.05016	9.7
69.03429	14.7
69.07092	9.6
70.06590	94.0
71.05002	14.9
71.06918	7.5
71.52308	9.1
72.08148	34.3
72.92756	7.6
78.34221	7.0
79.05488	15.7
81.03416	14.0
81.07053	33.9
84.04496	23.7
84.08158	72.7
85.02905	29.9
86.06072	13.8
86.09709	69.0
87.10023	11.5
89.29012	8.0
91.05479	30.1
93.07043	22.0
95.08574	8.3
96.04501	9.0
97.02926	19.2
97.06516	13.7
98.09691	82.1
99.10030	10.1
105.07058	21.1
107.04940	8.3
107.08573	18.3
109.10181	14.1
110.07178	20.6
114.05550	49.5
119.04932	11.6
119.08567	14.5
120.08092	23.3
121.02905	12.6
121.06516	13.9
121.10152	15.8
126.12791	11.1
127.03899	27.6
129.10257	33.8
136.07564	13.9
140.14392	37.4
146.05983	12.2
147.04402	48.0
147.11671	8.0
149.09689	8.8
149.59111	7.8
163.11209	25.5
173.09662	9.3
177.05464	10.1
181.12289	9.0
191.10693	21.6
200.84175	10.0
209.11702	29.2
223.12933	8.0
227.12791	44.2
260.27084	8.0
277.77380	8.3
287.05469	21.9
299.05539	100.0
311.05472	26.6
319.69913	8.3
353.15945	22.5
371.17026	13.1
382.17633	27.1
385.12766	98.5
502.22379	10.5
511.12125	11.1
529.25293	9.5
546.77991	14.3
547.28308	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	547.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01882	0.6
55.05503	0.8
56.05041	2.4
57.03427	1.1
58.06575	1.7
58.99570	0.4
60.04517	0.7
60.08166	14.8
61.01146	0.3
61.02895	0.4
65.03929	0.5
67.05509	2.1
68.05020	1.0
68.99779	0.7
69.03419	1.0
69.07072	0.7
70.06594	6.7
71.04987	1.6
71.07372	5.6
71.52270	0.4
72.08157	6.4
73.02905	0.3
74.06081	1.9
76.02211	0.7
79.05476	0.8
81.03403	0.4
81.07050	2.0
82.06538	0.4
83.06142	0.3
84.04501	1.9
84.08143	6.8
85.02902	2.3
85.06544	0.8
86.06070	2.1
86.09707	51.3
87.05606	0.3
87.10014	0.6
88.04002	0.5
91.05494	1.9
97.02900	1.0
98.06070	0.4
98.09695	2.6
98.98470	3.3
101.07130	1.0
102.05501	0.8
104.05379	0.4
104.10746	100.0
105.07046	1.1
107.04937	0.8
107.08572	0.8
109.10197	0.8
110.07167	1.7
112.08732	0.5
119.04929	0.8
120.08149	0.8
121.02864	6.9
122.02724	0.4
123.04474	0.3
125.00008	24.2
127.03864	0.4
127.08621	0.5
127.09649	0.3
129.10246	2.9
133.06516	0.6
133.10124	1.5
135.04391	0.5
136.07574	1.5
140.14317	1.9
143.11870	0.5
145.02829	0.5
147.04388	1.9
151.11172	1.3
157.13411	0.4
159.11250	0.6
161.05899	0.4
163.01584	0.4
163.03912	0.9
169.12212	0.4
173.05963	0.5
173.09206	0.7
173.12801	0.5
177.01819	0.3
177.05449	0.5
183.11314	0.5
184.07346	85.4
185.12802	0.6
185.84451	0.3
187.10884	0.5
201.05547	0.7
203.03453	0.7
205.05040	0.7
215.13942	0.4
217.05103	0.7
219.02876	0.8
229.05165	0.4
231.02925	1.1
235.27814	0.4
243.02907	0.6
243.16046	0.5
257.04437	0.6
258.10992	0.6
270.14468	0.7
271.05899	0.6
273.03967	0.6
285.03915	0.8
295.06052	1.3
299.05573	0.9
301.15427	0.4
307.05969	1.0
313.07156	0.3
315.05237	0.8
321.07587	1.0
325.07101	1.1
327.05121	0.4
333.06238	0.7
337.07071	0.5
349.07169	1.4
351.08508	0.6
361.06894	0.7
363.07199	1.0
373.07458	0.4
375.07306	0.4
379.08139	1.6
391.08228	0.9
393.08163	1.5
397.09045	0.6
403.08371	0.6
409.08975	1.1
411.09204	1.4
415.09729	0.5
427.10260	1.3
433.09222	0.8
433.23495	0.7
451.10544	0.8
469.11401	0.8
481.11301	1.9
488.17114	1.3
493.11185	0.6
499.12292	0.7
503.45761	0.5
511.12234	1.3
529.13306	1.2
529.23352	4.9
547.24487	69.2
548.24524	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20348	3.4
55.05517	15.2
56.69196	2.9
57.03427	4.8
61.02927	7.2
64.81176	3.4
67.05508	65.7
68.05842	5.8
69.07062	13.4
69.76574	6.8
69.76952	17.5
71.05011	3.4
79.05496	40.6
80.03468	3.4
80.05827	5.6
81.03428	11.6
81.07056	66.0
83.08627	9.9
85.02902	11.1
86.09708	9.4
91.03967	5.6
91.05479	25.0
93.07051	49.6
94.07378	4.0
95.04952	7.4
95.08617	54.2
96.08910	4.2
97.02912	7.3
97.10192	8.3
98.09619	3.5
105.07045	21.2
107.08612	25.8
108.08953	3.9
109.06465	4.6
109.10156	30.1
110.10428	3.2
115.40938	3.5
117.07014	7.5
119.08573	16.4
121.06544	4.2
121.10136	24.9
122.10506	3.3
123.11742	16.2
125.09634	4.5
131.08554	17.4
133.10127	18.4
135.11707	23.1
136.12053	3.6
137.09604	6.4
137.13264	7.2
145.10094	10.8
147.11691	14.1
149.13249	15.0
157.09999	4.4
159.11665	17.6
161.13231	7.9
163.14861	12.2
165.12756	4.6
168.93550	3.1
173.13258	11.7
175.14848	4.5
177.16422	5.3
179.14355	4.1
184.07330	26.6
187.14879	6.6
212.50641	3.5
243.21082	33.0
261.22159	100.0
267.15857	4.1
279.23227	8.0
302.25629	4.4
324.14050	4.6
335.25745	29.1
336.26080	5.3
353.26923	34.8
405.30161	3.7
409.40286	3.8
454.34167	3.4
468.59900	3.4
528.37634	21.7
546.38879	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
55.01872	1.5
55.05513	6.1
57.03443	4.3
57.07069	1.6
62.06077	1.2
65.03926	1.6
67.05511	10.2
69.03402	1.0
69.07069	7.5
70.06600	0.7
71.04990	1.9
71.08637	4.0
72.08202	0.6
79.05492	6.0
81.03410	2.0
81.07056	13.5
82.14576	0.6
83.04962	2.2
83.08639	3.3
84.08144	0.9
85.02890	1.1
85.06513	1.1
91.03954	0.7
91.05479	6.2
93.07052	8.3
95.04954	1.4
95.08609	9.9
97.06509	3.1
97.10184	1.1
98.09711	1.9
98.32653	0.7
98.98463	2.4
99.08102	2.5
104.84501	0.7
105.07043	7.2
107.08601	7.7
109.06532	6.9
109.10172	4.1
111.08067	1.6
115.05365	0.8
117.07007	1.4
119.08591	10.0
121.06514	1.4
121.10138	6.1
122.07257	0.7
123.08070	14.6
123.11681	2.3
125.09631	1.1
129.07002	1.2
131.08597	3.3
133.10143	9.1
135.08057	7.0
135.11708	2.4
137.09666	1.0
140.14346	1.5
145.10132	4.0
147.11681	5.9
149.09619	1.7
149.13274	2.2
151.11143	0.9
157.10149	1.6
159.11728	2.5
161.09624	1.7
161.13261	1.3
163.11176	1.4
165.12749	1.3
167.14348	1.3
173.13225	1.6
175.11221	0.8
175.14819	4.2
177.12785	2.3
177.16350	0.9
178.99234	0.7
179.14316	19.1
184.11496	0.6
185.13326	1.0
187.14830	0.9
191.14381	1.0
193.12271	1.9
193.15872	1.5
195.98810	0.6
198.05217	0.7
203.14404	0.7
205.15935	3.0
209.76169	0.7
216.06284	0.9
263.20078	1.3
267.16104	2.1
275.20084	0.8
289.21524	4.3
293.21130	1.9
303.26953	1.3
314.44183	0.7
319.22736	1.6
331.26260	11.8
337.23727	0.8
347.25922	1.4
349.23581	1.1
349.27390	5.9
369.27798	1.1
374.30502	1.5
375.28995	1.5
387.28873	6.0
405.30005	100.0
448.19565	1.3
461.28494	0.8
503.27820	4.7
503.34436	0.7
526.59949	0.7
536.82117	0.7
546.31641	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	545.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
55.05497	2.8
57.07076	16.3
61.01149	7.6
64.94172	0.9
67.05508	7.2
69.07079	4.5
70.76559	2.1
71.08639	14.8
72.04518	24.5
78.03795	16.6
79.05476	1.7
81.07067	8.9
83.08609	5.0
85.06537	2.0
85.10194	9.1
86.55770	0.9
88.02228	4.9
93.07035	1.1
95.04981	0.9
95.08611	11.7
97.10167	5.8
99.05598	1.1
102.03767	26.3
103.02139	1.7
107.08632	1.3
109.10178	6.1
111.11707	2.9
113.05988	1.5
114.03764	7.9
120.04804	2.7
123.11715	3.2
124.07523	1.9
130.08609	1.2
131.06384	11.2
132.04800	19.1
137.13237	1.8
140.17752	0.9
142.08620	8.3
149.07442	46.5
151.31038	1.0
159.05859	2.6
184.09665	3.0
261.12698	7.3
267.26849	4.0
284.29575	1.4
296.29388	2.0
338.30545	34.9
344.29782	1.2
415.33536	100.0
451.86328	0.9
527.38776	43.2
545.39655	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	546.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01871	2.3
55.05512	7.5
57.03440	4.2
57.07076	2.0
64.20523	0.9
67.05508	12.7
69.03427	1.0
69.07073	8.6
70.95567	0.8
71.04996	1.1
71.08627	4.8
71.12358	1.7
72.81357	0.7
74.07583	0.7
75.86528	0.7
79.05492	7.8
81.03418	1.7
81.07059	15.9
82.07367	1.0
83.04977	1.4
83.08619	4.8
84.08200	0.8
85.06560	1.0
91.05492	7.3
93.07046	9.1
94.07383	1.4
95.04998	2.0
95.08617	14.0
97.06539	2.8
97.10194	1.8
98.09708	0.9
98.98463	2.8
99.08097	2.3
105.07039	9.5
107.04944	1.0
107.08600	9.1
109.06532	7.4
109.10168	5.1
111.08077	1.6
117.07018	2.2
119.08589	10.8
121.06480	1.4
121.10143	7.7
123.08070	14.8
123.11710	3.8
125.09646	2.3
129.07042	1.3
131.08575	4.0
132.08902	0.8
133.10155	9.1
135.08084	8.5
135.11708	3.8
137.13251	1.2
143.08531	1.8
145.10150	4.3
147.11693	6.2
149.09625	2.7
149.13254	2.5
157.10205	1.6
159.11716	5.2
161.09709	1.5
161.13272	2.7
163.11237	1.9
163.14841	1.1
165.12823	1.8
167.14206	1.4
173.13249	2.2
175.11188	1.4
175.14830	5.8
175.30183	0.9
177.12747	4.0
177.16313	1.1
179.14319	24.9
185.13394	1.0
193.15826	1.9
198.05208	0.8
205.15881	3.4
216.06592	1.2
222.91525	0.9
231.15910	1.3
243.21057	1.8
261.22186	3.4
263.20099	1.4
267.15906	1.1
275.20148	1.2
289.21701	7.4
293.21088	2.6
303.26898	1.7
309.73694	0.8
319.22864	1.7
331.26364	10.9
335.26077	0.9
337.23792	1.7
347.25635	1.2
349.23740	1.3
349.27258	6.1
369.27737	1.1
374.30481	1.6
375.29105	2.6
387.28928	5.7
405.30017	100.0
412.49918	0.8
454.34143	1.0
485.26663	1.4
503.27634	5.8
528.37445	3.0
546.31738	2.6
546.38599	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
53.51762	0.8
55.01866	2.9
55.05513	21.4
57.03440	7.2
57.07072	1.6
63.61337	0.9
65.03946	1.8
67.05506	52.5
69.03431	3.4
69.07069	12.2
70.76969	2.1
71.04995	3.7
79.05492	33.3
81.03421	24.9
81.07056	44.2
83.04970	4.7
83.08621	15.7
85.02899	3.5
85.06549	3.2
85.10192	1.1
91.04912	1.6
91.05480	29.8
93.07041	33.8
95.04974	15.3
95.08607	30.5
97.02880	1.3
97.06570	4.7
97.10172	13.7
99.08092	1.8
101.03708	1.0
103.05542	1.0
105.04540	0.9
105.07028	24.9
106.73808	0.9
107.04953	4.1
107.08599	20.7
109.06529	3.9
109.10151	16.3
111.08093	4.2
115.05458	1.5
117.07038	9.9
119.05019	1.1
119.08584	21.1
121.06488	6.0
121.10138	18.1
123.08070	3.6
123.11714	6.3
125.09637	10.7
128.06239	1.7
129.07008	7.3
131.05022	0.9
131.08580	18.4
133.06502	2.1
133.10132	15.5
135.08064	3.4
135.11707	9.6
137.09608	2.0
137.13251	1.4
142.07820	1.7
143.08597	5.0
145.10124	13.7
147.08034	2.9
147.11679	12.5
149.09641	3.2
149.13277	5.4
153.09160	1.5
155.08560	3.2
157.10149	7.9
159.08054	2.0
159.11722	10.0
161.09702	1.2
161.13248	5.2
163.11186	1.1
163.14845	2.7
165.12721	1.3
168.21297	0.9
169.10182	2.9
171.10367	0.9
171.11644	4.6
173.13271	5.5
175.11191	4.3
175.14845	2.9
181.10159	1.2
183.11760	2.5
185.13268	3.4
187.14848	4.0
189.09497	0.8
189.11243	5.5
189.12724	1.2
189.16397	1.1
193.12263	12.3
195.11755	1.1
197.13229	2.1
199.14783	2.5
201.12648	1.4
201.16437	1.8
203.38301	0.9
211.13225	7.7
211.15033	1.3
213.16393	1.0
219.17554	0.9
227.12697	7.0
233.15356	1.6
238.09334	1.0
243.16092	1.4
243.21086	2.6
247.16920	1.4
249.14867	1.4
257.18912	1.0
261.22150	10.9
267.15924	17.4
279.23215	1.5
283.20673	1.0
285.22247	2.5
299.23660	1.4
301.21793	1.3
301.25220	10.9
303.23294	1.4
317.24774	2.4
327.23264	1.3
329.21014	1.3
335.25806	15.9
359.25909	2.0
403.24615	2.3
417.31482	1.3
421.26202	2.4
435.27579	2.0
435.32727	6.2
453.33841	10.2
471.34677	6.4
509.36313	2.2
527.37354	45.6
545.38348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.0
55.01866	4.5
55.05515	26.8
57.03436	9.1
57.07064	3.1
59.04997	2.5
65.03944	2.8
67.05509	58.1
69.03420	3.5
69.07074	17.2
70.68579	3.3
71.04993	4.3
77.03881	1.1
79.05497	38.0
79.72154	1.2
81.03420	26.2
81.07062	54.2
83.04974	4.2
83.08620	18.1
85.06553	2.5
85.07384	1.1
91.05490	32.2
92.47503	1.0
93.07051	42.5
93.07639	2.3
95.04971	17.9
95.08611	37.4
97.06531	5.2
97.10178	18.9
99.08070	1.7
101.06012	1.1
101.75110	1.2
105.06332	1.6
105.07035	30.2
107.04937	6.2
107.08607	26.0
109.06534	4.3
109.10164	25.2
111.08086	5.7
115.05502	3.2
117.07024	10.1
119.08589	23.1
119.50912	1.1
121.06519	7.1
121.10157	18.7
123.08080	4.3
123.11714	7.4
125.09641	14.6
129.07019	8.5
131.08572	23.3
133.06482	2.7
133.10141	19.4
135.08055	5.2
135.11684	11.6
137.09628	3.6
137.13245	1.5
141.07021	2.5
142.07756	2.1
143.08559	8.3
143.10526	1.2
145.06493	2.0
145.10120	15.2
147.08057	3.6
147.11668	12.9
149.09639	3.7
149.13297	5.6
151.11224	1.4
153.09158	2.1
155.08661	2.3
157.10120	8.2
159.11702	12.4
161.09608	2.5
161.13284	7.1
163.11189	4.4
163.14787	2.8
165.12836	1.9
167.08717	1.3
169.10164	3.3
171.10320	1.3
171.11662	5.5
173.09703	1.9
173.13281	10.5
175.11241	4.7
175.14880	4.1
177.16470	1.6
181.91206	1.2
183.11749	3.5
185.13303	4.8
187.14851	4.8
189.11253	7.4
189.12750	2.1
193.12300	8.8
195.11824	1.8
196.72409	1.2
197.13408	1.9
199.14856	3.4
201.16426	1.2
203.14381	1.3
205.15915	1.5
207.13853	1.3
211.13243	2.0
211.14996	1.6
213.16463	1.3
215.14395	1.3
227.12767	12.7
233.15398	1.5
243.21173	2.5
247.16978	3.3
261.22177	10.3
267.15955	29.0
273.18292	1.7
273.22235	1.2
279.23312	1.3
285.22278	3.9
287.20004	1.4
301.21841	2.5
301.25217	17.4
303.23245	1.7
317.24796	3.4
335.25903	15.2
343.22714	1.8
345.24164	1.4
359.25769	2.8
403.24899	2.1
417.31628	1.8
421.26031	4.2
435.27502	2.3
435.32712	5.9
453.33597	12.3
471.34695	11.3
481.34805	1.8
509.36371	2.8
527.37372	59.0
545.38397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.2
53.03945	5.4
55.01855	1.7
55.05270	1.5
55.05515	20.2
57.03440	6.1
57.07061	2.5
65.03933	4.1
66.37737	1.0
67.05509	54.4
69.03426	4.3
69.07077	14.5
69.18246	1.1
71.04993	4.3
71.08635	1.7
79.05498	44.3
79.52472	1.1
81.03422	21.4
81.07062	55.5
83.05003	8.1
83.08621	11.3
85.02914	10.9
85.06551	4.6
89.06042	2.3
91.05486	41.4
93.07047	42.9
95.04966	14.1
95.08609	34.0
97.06520	6.3
97.10152	6.8
105.04512	2.1
105.07038	33.9
107.04952	5.5
107.08598	21.1
109.06524	4.2
109.10159	12.6
111.04440	1.4
111.08050	5.8
113.06008	1.0
115.05483	2.0
117.07009	10.8
119.08588	24.3
121.06499	2.7
121.09322	2.1
121.10152	25.1
123.08073	3.0
123.11716	4.5
125.09628	5.3
127.07626	1.3
128.06227	1.2
129.07004	7.7
131.08571	19.0
133.06517	2.6
133.08630	2.1
133.10127	15.7
135.08038	2.3
135.11679	10.5
137.09619	1.2
142.07782	1.8
143.08563	3.1
145.10126	11.0
147.08072	1.5
147.11694	17.4
149.09654	8.5
149.13269	5.0
151.11165	2.3
155.08557	2.3
157.10124	8.2
159.11755	6.6
161.09570	1.3
161.13252	5.1
163.11198	6.2
163.14801	1.2
165.12782	4.5
169.10162	2.2
171.11676	2.5
173.09622	1.9
173.13234	5.8
175.11130	5.5
175.14851	2.5
177.12842	1.2
181.10028	1.4
183.11659	1.1
185.13370	2.2
187.14853	3.0
189.11234	2.6
193.12259	23.4
195.11786	1.4
196.99899	1.4
197.13336	2.7
199.14972	1.6
209.11696	1.1
211.13293	21.7
211.15034	1.3
227.12834	3.1
239.16353	1.3
243.20969	1.2
261.22247	4.1
265.14380	1.8
267.15903	7.5
271.20694	1.2
285.22235	2.3
289.21759	2.3
301.25339	2.5
302.96948	1.1
303.23315	1.3
317.24765	2.5
335.25803	6.8
363.25507	3.1
381.26535	1.5
417.31519	3.4
435.32690	7.4
453.33398	6.5
471.34360	3.2
509.36609	2.2
527.37372	29.1
545.38373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01874	4.2
55.05516	31.3
57.03443	9.0
57.07072	2.9
61.48060	1.0
63.22186	1.0
65.03938	1.7
67.05508	64.3
69.03419	3.6
69.07076	13.9
71.05005	3.7
71.08621	2.8
79.05498	38.0
81.03425	25.3
81.07063	57.8
83.04963	6.4
83.08618	16.4
85.06581	2.7
87.19492	1.0
91.05486	32.3
93.07053	41.9
95.04979	19.8
95.08615	39.0
97.06527	6.2
97.10174	17.6
99.08094	2.3
103.05496	1.5
105.07040	27.7
107.04963	5.8
107.08601	24.1
109.06525	6.3
109.10170	24.4
111.08097	4.4
115.05467	2.1
117.07021	15.3
119.08591	27.7
121.06512	6.9
121.10162	18.4
123.08102	5.2
123.11688	6.6
125.09637	14.4
129.07014	8.6
130.07806	1.4
131.08577	21.6
133.06520	3.0
133.10146	21.5
135.08086	6.1
135.11714	12.6
137.09651	2.8
141.06960	2.2
142.07767	2.3
143.08589	9.4
145.06538	1.2
145.10127	20.1
147.08054	3.8
147.11702	10.2
149.09668	6.5
149.13307	6.8
151.11206	1.7
153.09073	1.7
153.12718	1.3
155.08592	4.2
157.10136	8.8
159.08139	1.5
159.11691	12.4
161.09650	2.7
161.13263	8.5
163.11223	3.6
163.14847	3.6
169.10167	4.2
171.10249	2.3
171.11737	6.5
173.09688	2.2
173.13261	11.6
175.11255	3.5
175.14909	3.8
177.12781	2.2
181.10196	1.6
183.11757	4.0
185.13335	4.7
187.14857	4.1
189.11246	6.2
189.16425	2.1
193.12238	10.1
197.13243	2.6
199.14824	3.6
201.16379	2.9
211.13223	2.7
213.16501	1.6
214.80568	1.1
215.14462	1.4
225.16489	1.6
227.12804	13.7
229.46371	1.3
233.15366	1.8
235.16969	1.3
243.21056	2.3
247.16971	2.3
249.18539	1.8
261.22141	10.1
267.15945	24.4
275.20062	2.0
276.54663	1.2
277.21640	1.7
279.23331	2.1
283.24164	1.9
285.22232	4.1
299.23419	1.5
301.25296	15.8
317.24933	2.3
335.25885	17.6
357.28232	1.5
359.25970	2.7
403.24673	1.5
417.31586	1.6
421.25870	2.5
434.67947	1.4
435.27573	2.5
435.32727	8.8
453.33624	11.1
471.34756	8.8
489.36017	1.2
509.36301	2.4
527.37402	52.3
545.38446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
55.01870	5.9
55.05507	16.3
56.05022	1.8
56.35215	2.0
57.03433	16.9
57.07083	2.3
59.04992	3.7
61.02912	6.6
67.05510	21.0
69.03423	13.0
69.07077	11.3
70.06589	13.8
70.71499	5.2
71.01320	2.2
71.04994	75.5
72.08138	5.5
73.02908	6.3
75.04472	5.3
79.05492	17.6
81.03436	9.4
81.06593	2.9
81.07059	52.0
81.10453	1.9
83.04973	18.5
83.08617	6.9
84.08160	10.3
85.02908	100.0
85.06530	7.9
86.09719	6.6
86.28728	2.1
87.04476	3.2
88.91916	2.1
91.03957	2.2
91.05484	24.6
93.07044	35.2
95.04967	14.4
95.08604	22.5
97.02913	9.5
97.06538	9.8
97.10155	6.4
99.04456	5.7
99.08085	9.0
103.05473	2.8
105.07037	65.8
107.04981	11.6
107.08598	38.5
109.02879	4.7
109.06512	6.2
109.10160	23.1
110.07185	3.8
111.04446	10.0
111.08070	2.8
113.88828	2.5
117.07043	11.8
119.04935	2.5
119.08585	32.5
121.06530	9.6
121.10147	22.9
123.04441	2.4
123.08049	4.9
123.11739	11.1
123.12485	1.8
125.09637	37.8
127.03926	6.1
127.07519	7.2
127.11209	6.6
129.05489	22.5
129.07042	4.5
129.10252	3.4
130.07805	2.1
131.08562	12.6
133.04953	2.9
133.10133	50.2
135.08058	4.8
135.11687	6.9
136.07610	4.4
137.05977	4.2
137.09604	13.5
139.11182	2.8
142.07738	3.1
143.08549	7.4
143.10669	67.3
145.04967	4.6
145.06448	2.1
145.10129	24.9
147.06508	7.1
147.11694	39.7
149.09613	9.0
149.13258	5.8
151.11154	4.3
153.12788	2.4
155.08562	4.9
156.09378	2.6
157.10117	13.7
159.08054	3.8
159.11681	20.4
161.09650	2.8
161.13237	10.3
163.11172	6.8
167.10626	6.0
169.10112	4.0
171.11725	7.1
173.09624	5.1
173.13275	6.4
175.11232	3.6
175.14851	3.1
179.05330	2.3
179.10718	2.8
181.09991	2.2
183.11653	4.0
185.13277	3.8
187.11195	4.4
191.10799	3.8
195.11757	2.7
197.13176	2.6
201.12637	3.8
201.16371	12.6
203.17979	13.3
209.11752	6.1
213.12859	2.0
213.16458	3.9
215.14247	2.8
217.15849	3.7
219.17419	31.2
221.11649	4.3
221.19086	5.8
227.12776	2.6
231.17537	3.1
237.18481	8.4
243.17387	4.9
255.06479	17.9
255.08643	2.2
261.18509	4.5
265.14322	7.0
269.13788	3.6
273.18484	2.6
283.15381	5.5
287.05511	5.4
287.14856	4.1
301.16708	4.8
311.20148	3.7
329.21097	6.8
345.20569	3.6
347.22073	5.0
363.21585	3.0
365.23282	3.6
381.22528	4.8
383.11548	2.3
399.23843	3.2
491.26089	5.3
509.26822	2.1
527.28284	2.5
545.30206	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	544.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
55.01884	6.0
55.05506	6.6
56.05042	3.6
57.03447	5.1
57.07075	2.0
61.02935	4.1
63.73875	1.5
65.46741	1.5
67.05507	14.3
68.05026	3.1
69.03426	14.7
69.07072	9.8
69.86335	7.7
70.06599	34.9
71.05005	8.7
71.43284	1.6
72.08167	10.2
73.02908	1.8
74.06086	6.4
74.09727	10.1
76.63611	1.5
79.05496	15.0
81.03424	34.3
81.07067	26.7
83.04982	4.2
83.08666	2.1
84.04502	7.5
84.08152	23.0
85.02913	11.5
85.06538	9.8
86.06061	4.0
86.09709	17.3
87.05610	1.9
91.05477	14.5
93.07053	43.7
95.04967	7.2
95.08620	9.5
97.02900	5.9
97.06534	13.7
98.06032	2.7
98.09701	4.8
99.04465	18.9
101.06033	2.3
102.05592	2.0
103.03929	2.3
103.05460	2.7
105.07043	34.0
107.04963	3.9
107.08598	46.6
109.02886	33.6
109.06532	12.0
109.10165	3.1
109.56500	1.5
110.07178	4.9
111.04464	1.9
111.08098	6.7
112.08754	2.5
113.06013	5.8
117.07049	6.0
119.04965	2.2
119.08588	16.8
120.04473	1.9
120.08105	8.4
120.08871	1.8
121.06508	28.6
121.09336	3.0
121.10156	44.1
123.08082	6.2
127.03930	40.9
127.07577	3.2
129.07024	1.9
129.10262	9.0
130.05058	1.9
130.06615	2.1
130.07774	2.9
131.08600	5.8
133.10150	4.9
135.08066	8.9
135.11708	13.8
135.12639	2.5
136.03928	1.7
136.06166	2.7
136.07602	4.7
137.06023	2.4
143.08440	2.4
145.04980	2.9
145.10132	34.2
147.04451	1.9
147.08105	2.8
147.11696	5.5
149.09637	16.9
151.03963	2.4
151.07544	3.9
152.07072	1.8
159.11684	2.3
161.09630	2.2
163.11189	91.1
167.10678	28.0
168.72514	1.6
169.08621	26.6
169.09969	3.0
171.08167	1.9
173.09671	9.0
181.12262	16.8
185.11746	6.6
189.09068	2.1
191.10684	54.3
200.17244	1.6
209.11740	57.2
209.13692	3.4
214.97792	1.7
227.12799	100.0
245.13751	3.9
269.13834	19.3
271.13306	4.1
272.13342	1.6
289.14459	5.8
299.12955	4.9
317.13837	8.2
335.14847	13.7
353.15945	49.4
354.15695	1.7
371.17032	36.7
371.21701	2.3
389.18054	6.9
389.75742	2.3
452.07913	2.1
541.70032	2.3
544.21741	2.1
544.31665	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01867	4.2
55.05516	4.3
57.03442	3.1
67.05510	7.4
68.05024	1.0
69.03439	11.0
69.07076	7.2
70.06609	7.9
71.01358	1.0
71.05000	6.4
72.08158	3.4
75.45406	0.8
76.02240	1.4
79.05490	11.6
79.05912	0.9
81.03424	26.4
81.07063	22.0
83.04977	2.9
83.06126	1.0
83.57269	0.8
84.04517	2.0
84.08146	7.0
85.02908	5.7
85.06548	6.8
86.09718	13.4
91.05476	6.4
93.07053	32.9
95.04979	3.4
95.06080	0.9
95.08595	5.4
97.02897	4.8
97.06538	10.2
98.09669	1.8
98.26054	0.8
99.04459	17.6
101.06031	1.5
103.05508	0.9
104.01588	0.9
105.07037	26.6
107.04980	2.2
107.08603	42.7
109.02892	30.9
109.03474	0.5
109.06557	6.4
109.10184	1.8
111.04466	2.5
111.08113	6.4
112.08731	1.0
113.06009	5.1
117.07046	3.9
119.08600	12.3
120.08129	2.8
121.06516	17.1
121.10152	39.1
123.08104	4.3
127.02975	1.5
127.03925	30.5
127.07554	2.2
129.10277	2.4
130.07773	1.1
131.08595	4.0
133.10204	1.7
135.08086	6.5
135.11694	13.6
136.07607	1.5
137.06036	1.4
137.09651	1.9
139.07553	2.0
139.11176	2.3
143.08543	1.2
143.11769	1.1
145.10133	31.8
146.06026	1.5
147.11693	3.3
149.05994	2.0
149.09633	14.2
151.07510	4.4
153.12712	1.0
155.08571	1.2
157.13374	1.8
161.09616	1.7
163.11188	83.9
165.09088	1.9
167.10683	22.5
169.08617	26.5
173.09650	8.5
175.81473	1.0
179.04776	1.2
181.12227	18.1
181.13704	1.3
185.11665	7.6
189.08972	1.2
191.10675	55.3
201.12471	1.2
209.11742	55.6
215.14050	1.1
227.12799	100.0
229.12088	0.9
229.50452	1.0
245.13858	1.9
253.12328	0.9
269.13864	15.4
271.13489	1.9
277.10574	1.9
289.14349	7.4
299.12662	4.1
307.15454	1.3
311.14960	1.4
317.13824	5.9
335.14871	11.6
353.15952	46.4
354.88257	0.8
364.21130	1.0
371.17044	26.4
389.17963	3.6
528.41443	0.8
539.36212	0.9
544.28833	1.4
561.62396	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48072	0.5
51.02361	1.1
53.03952	3.5
55.01865	3.0
55.05515	13.6
57.03443	3.2
57.07050	2.0
65.03919	2.3
65.99558	0.6
67.05505	37.4
69.03403	2.2
69.07070	10.3
69.81961	3.1
71.04981	3.2
73.02888	1.0
75.97868	0.5
77.03883	1.7
79.05494	45.3
81.03390	2.6
81.07057	36.5
83.04987	4.3
83.08619	7.3
85.06525	1.4
87.32627	0.5
87.33194	0.6
89.05996	1.1
91.04902	1.0
91.05480	23.1
93.07044	56.4
95.04462	0.7
95.04974	8.0
95.08607	44.3
97.02893	4.1
97.05980	0.5
97.06539	3.9
97.10129	2.2
97.10712	0.6
98.21451	0.8
99.04453	2.8
100.53259	0.6
101.55970	0.6
103.05458	1.6
105.04499	2.2
105.07032	17.7
106.56264	0.7
107.04964	7.5
107.08595	36.4
109.06497	2.5
109.10152	8.2
111.08068	1.2
115.05425	1.5
117.07021	12.1
119.08585	15.3
121.06493	5.4
121.10146	21.4
121.50979	0.6
123.08029	1.1
123.11674	1.1
124.30807	0.6
125.05983	2.4
125.09618	0.9
127.07545	0.7
129.06993	1.6
130.07759	2.2
131.07719	0.8
131.08580	8.8
133.08620	1.0
133.10130	6.8
135.08115	3.0
135.11693	46.8
137.09567	0.7
139.07576	1.4
143.08560	1.8
145.06465	1.0
145.10118	30.7
147.08109	0.6
147.11696	3.0
149.09639	1.2
149.13237	3.9
153.12740	1.5
155.08469	1.0
157.10127	1.7
159.08054	0.7
159.11676	4.0
161.13248	2.1
163.11183	51.2
171.11569	0.9
173.09601	1.6
173.13206	3.2
175.14809	0.8
181.12225	11.7
183.11685	1.0
185.13210	0.8
187.14873	1.6
191.10608	1.0
209.11693	2.3
209.13472	0.7
227.12781	100.0
243.21098	2.3
261.22150	6.2
265.14368	0.8
275.20111	1.5
280.41055	0.6
283.15372	1.4
317.24692	1.9
451.32092	1.3
469.33002	1.5
525.35748	4.2
543.36816	86.9
544.37152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.1
52.77098	0.9
53.03952	4.0
55.01867	2.7
55.05271	1.1
55.05515	15.1
57.03429	2.9
57.07078	1.9
65.03941	2.9
67.05505	35.3
69.03413	2.1
69.06734	1.1
69.07070	12.8
69.92218	2.2
69.92638	2.0
71.04978	2.5
73.02933	0.9
73.06548	0.8
79.05494	40.3
81.03419	3.9
81.07056	33.2
83.04974	4.7
83.08616	8.8
85.06539	2.2
89.06019	1.2
90.29990	0.8
91.05481	23.4
93.07043	47.8
95.04970	8.9
95.08606	36.8
97.02895	2.9
97.06532	4.0
97.10164	3.7
99.04463	2.5
100.50002	0.8
103.05488	2.0
105.04513	1.7
105.07027	17.3
107.04968	7.0
107.08589	28.5
109.06512	2.2
109.10155	9.0
111.08039	2.0
115.05461	1.1
117.07022	14.2
119.08579	15.8
121.06504	5.4
121.10141	14.6
121.10947	1.4
123.08051	1.4
123.11692	1.7
124.18641	0.8
125.05976	2.0
125.09624	1.6
129.07047	3.7
130.07837	1.9
131.08556	9.6
133.06482	1.1
133.10126	9.2
135.08084	2.2
135.11696	35.5
137.09612	0.9
137.46933	0.8
139.07512	1.1
139.85785	0.9
141.07004	1.1
143.08592	3.3
145.10121	24.5
147.08037	1.5
147.11674	5.4
149.09622	1.8
149.13287	3.6
153.12796	1.1
155.08530	1.8
157.10164	3.6
159.11681	5.4
161.13281	1.5
163.11183	37.6
163.14758	0.9
169.10191	2.3
171.11731	3.2
173.09616	1.9
173.13281	3.0
175.14880	1.1
181.12228	8.5
183.11775	1.5
185.13205	1.2
187.14896	1.7
191.10712	1.0
195.11667	1.3
199.14871	1.4
209.11671	2.2
227.12781	75.4
237.27753	0.9
243.21167	1.3
259.20291	0.9
261.22183	3.8
275.20062	2.3
277.21884	1.4
299.23785	1.4
317.24857	2.5
359.18399	0.9
386.69473	0.9
389.88852	1.1
433.30960	2.3
451.32150	3.5
469.32932	2.2
487.34354	0.8
525.35907	8.2
543.36816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.4
53.03940	2.7
55.01871	2.5
55.05515	12.4
57.03436	2.9
57.07060	1.5
65.03912	1.6
67.05507	28.2
69.03403	1.7
69.06731	0.6
69.07068	7.3
71.04991	2.3
71.08607	0.7
73.02893	1.2
77.03908	0.4
79.05495	38.8
81.03383	2.0
81.07058	28.3
83.04987	3.1
83.08621	7.3
85.06509	0.6
89.06032	1.1
91.04920	0.9
91.05482	19.2
93.07047	45.9
95.04456	0.5
95.04978	6.5
95.08609	38.8
97.02901	2.9
97.06532	3.7
97.10144	1.6
99.04443	3.1
99.08080	0.5
103.05435	0.9
105.04516	1.4
105.07032	11.4
107.04966	5.8
107.08593	30.3
109.06483	1.8
109.10162	5.9
111.04423	1.2
111.08067	1.4
113.05990	0.6
115.05434	1.2
117.07020	11.1
119.07722	0.6
119.08582	12.0
121.06505	4.7
121.10148	17.9
123.08059	0.7
123.11703	1.2
125.05958	1.7
125.09637	0.9
129.06970	0.7
130.07771	2.3
131.08594	5.9
133.08597	0.6
133.10124	6.6
135.08032	2.0
135.11693	40.5
137.09584	0.5
137.13260	0.7
139.07500	1.4
143.08510	1.5
145.10126	24.8
147.11687	2.5
149.13309	3.0
153.12775	0.6
159.11697	2.3
161.13257	2.2
163.11183	43.7
173.09634	0.6
173.13246	1.8
175.14781	1.0
181.12230	11.3
187.14832	1.1
209.11678	2.8
227.12782	100.0
228.13155	0.7
243.21078	1.4
261.22089	5.5
283.15457	1.0
317.24756	2.6
402.29578	0.5
430.82053	0.5
451.32425	0.6
469.33276	0.6
525.35712	0.9
543.36835	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
51.36081	0.5
51.46565	0.4
53.03947	4.2
53.99451	0.5
55.01880	2.2
55.02089	0.5
55.05514	13.5
57.03436	2.3
57.07047	1.5
65.03925	1.5
67.05509	32.1
69.03434	2.2
69.07074	8.6
69.21484	4.1
71.05003	3.4
73.02898	1.2
77.03878	0.5
78.53662	0.5
79.05496	42.4
81.03384	2.0
81.07062	34.3
83.04967	3.1
83.08167	0.5
83.08627	6.8
85.06506	1.2
91.04909	0.7
91.05485	20.1
93.07047	53.5
95.04974	8.1
95.08611	41.6
97.02889	3.5
97.06522	3.5
97.10138	1.5
98.21519	1.2
99.04468	3.4
103.05454	0.8
105.04499	1.6
105.07034	14.9
107.04961	7.4
107.08600	33.2
109.06506	2.4
109.10156	7.4
110.10503	0.5
111.04399	1.5
111.08041	1.9
113.06007	0.6
115.05438	0.7
117.07021	11.1
119.08585	13.0
120.27573	0.4
121.06514	5.2
121.10142	16.6
123.08061	0.8
123.11690	1.4
125.05977	1.7
127.07526	0.6
128.06161	0.9
129.06990	1.1
130.07756	2.0
130.64995	0.4
131.08582	4.7
133.10135	6.4
135.08020	2.0
135.11697	44.5
139.07503	1.3
143.08548	1.2
144.83386	0.5
145.10130	26.2
147.08049	0.5
147.11700	2.5
149.13269	3.0
153.12709	1.0
157.10246	0.5
159.11667	2.5
161.13239	1.5
163.11185	49.9
173.09628	0.6
173.13222	1.5
175.14746	0.8
181.12248	9.9
187.14696	0.8
209.11659	3.0
227.12790	100.0
229.14375	1.0
230.14668	0.4
243.21060	1.3
261.22165	5.1
262.22549	0.5
294.99347	0.5
317.24765	2.3
412.83499	0.5
451.32098	0.9
525.35925	1.0
538.11688	0.5
543.36847	70.0
544.36969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.9
52.87401	0.6
53.03944	3.9
55.01872	3.9
55.05514	12.7
57.03428	2.9
57.07072	1.6
65.03938	2.9
67.05507	33.3
69.03425	1.7
69.07074	9.9
69.92406	3.2
71.05007	3.3
73.02908	0.7
79.05497	45.0
81.03429	3.5
81.07057	38.1
83.04987	4.1
83.08618	8.7
86.11191	0.7
91.05484	25.5
93.07046	51.0
95.04962	7.5
95.08611	38.4
97.02892	2.3
97.06524	3.9
97.10167	3.1
99.04465	3.9
103.05442	0.8
105.04490	1.5
105.06325	0.9
105.07030	17.3
107.04962	7.8
107.08599	34.0
109.06509	2.1
109.10154	7.1
111.04478	1.1
111.08066	2.0
113.05982	0.9
115.05454	1.4
116.06281	0.8
117.07020	12.3
119.08581	16.3
121.06512	5.7
121.10146	21.0
123.08077	1.6
123.11732	1.5
125.05980	2.3
125.09638	1.6
129.07007	2.9
130.07822	2.1
131.08580	9.7
133.06487	1.1
133.10141	10.0
135.08083	1.8
135.11691	36.9
137.09656	1.0
139.07587	1.3
143.08566	3.5
145.06508	1.3
145.10126	24.3
147.08069	1.2
147.11696	3.1
149.09612	2.4
149.13278	3.6
153.12717	1.3
155.08539	2.9
157.10159	3.0
159.08066	0.9
159.11681	4.9
161.09708	0.8
161.13243	2.6
163.11186	40.3
163.14885	0.9
165.12762	0.7
169.10194	2.3
171.11694	3.1
173.09651	2.8
173.13289	2.6
181.10046	0.7
181.10678	0.8
181.12227	7.6
183.11700	0.8
185.09605	0.9
185.13261	0.9
187.11180	0.9
187.14847	1.7
191.10751	0.9
195.11731	0.7
197.13246	0.9
199.14830	1.0
209.11678	3.1
219.17535	1.2
223.80759	0.7
227.12781	82.3
243.21111	1.5
261.22168	5.4
262.84384	0.8
265.14432	2.3
275.20190	2.3
277.21689	0.9
283.15515	0.9
293.20978	0.8
297.22183	0.9
299.23624	1.1
315.23047	0.9
317.24872	1.9
424.19135	0.7
433.31134	2.1
451.32193	2.9
469.33090	1.5
515.37439	1.5
525.35864	6.6
543.36823	100.0
544.36926	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01861	3.4
55.05269	1.1
55.05512	14.6
57.03434	3.6
57.07054	1.6
61.02930	0.8
65.03929	3.4
67.05508	40.0
69.03419	2.5
69.06728	1.1
69.07069	11.5
69.61321	0.8
70.63741	1.9
70.64079	1.5
71.04986	3.2
71.08633	1.0
73.72958	0.9
77.03916	1.4
77.36970	0.8
79.05495	42.0
81.03419	4.6
81.07058	35.6
83.04979	3.3
83.08622	8.6
85.06536	1.3
87.90025	0.8
91.05483	22.5
91.58590	0.8
93.07046	48.3
95.04972	7.4
95.08610	35.5
97.02889	2.8
97.06528	5.6
97.10159	3.8
99.04463	3.3
105.04507	1.2
105.07032	19.0
107.04950	8.0
107.08594	34.4
109.06514	3.2
109.10173	9.6
111.08083	1.8
113.06042	1.1
117.07023	12.4
119.08579	16.6
121.06511	4.7
121.10152	20.9
123.11713	2.0
125.05974	2.2
125.09612	1.6
129.07002	3.0
130.07829	1.4
131.08574	9.5
133.06526	1.1
133.10126	8.2
134.44371	0.9
135.08029	2.4
135.11697	39.1
137.13200	1.1
139.07556	1.3
143.08572	3.8
145.06480	1.1
145.10127	25.4
147.11691	3.5
149.09627	1.4
149.13246	3.6
155.08524	2.1
157.10207	1.8
159.08037	1.1
159.11736	3.9
161.09683	1.0
161.13336	2.2
163.11194	40.4
163.14839	1.1
169.10133	2.2
171.11609	1.1
173.09602	1.6
173.13222	4.1
177.16336	1.1
179.14328	2.4
181.12225	10.0
183.11684	1.6
185.13414	1.1
187.14836	2.0
209.11757	2.2
227.12785	80.5
243.21165	2.6
261.22238	4.7
265.14359	1.8
275.20065	2.8
277.21719	2.0
299.23862	1.5
317.24774	1.5
326.34357	0.8
408.93442	0.8
433.31259	1.5
451.32098	2.3
469.33414	1.5
515.37231	1.6
525.35980	5.3
543.36829	100.0
571.23859	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.4
56.05033	1.8
60.04523	1.3
67.05517	1.3
68.05035	1.4
69.03442	1.3
69.07072	5.2
70.02960	1.3
70.06596	100.0
70.96454	1.0
71.01346	0.6
71.04986	0.6
71.06926	1.4
72.08160	30.2
73.02921	0.8
74.06100	1.5
84.04531	3.1
84.08149	12.3
85.02914	1.8
85.04041	2.0
86.06073	1.3
86.09710	62.5
87.05583	5.5
87.10011	0.6
88.03991	1.2
91.05485	1.7
93.07030	0.8
94.06539	0.8
95.06102	0.6
96.08128	4.1
97.04911	0.5
98.02435	3.2
98.06098	0.8
98.09705	2.0
101.07158	0.7
102.05559	1.1
105.07024	0.7
110.07162	2.8
110.09663	1.1
112.08746	0.6
113.10770	1.8
115.05048	1.4
115.08709	0.8
116.07130	0.8
119.04913	1.0
120.08112	2.0
121.06562	0.7
129.10242	4.7
130.05013	1.5
130.10658	0.5
133.06110	0.8
136.07568	1.8
138.09148	4.2
140.14403	0.6
141.09167	1.1
141.10236	18.4
146.06041	0.9
147.04417	0.7
152.07137	0.7
155.11800	20.4
157.09682	1.0
167.08203	1.0
169.13278	0.9
171.14883	0.9
173.12848	1.5
183.11299	14.3
183.14912	0.9
185.09224	0.9
197.12952	1.1
198.17174	0.6
199.10779	2.2
200.13950	64.7
211.10620	0.9
217.11850	83.9
222.16005	1.9
228.13448	49.8
268.16605	2.4
282.18011	0.9
298.17511	0.8
299.20676	2.1
309.19226	0.8
310.17349	1.7
316.18701	7.8
327.20276	33.0
543.24414	2.0
543.31451	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32034	0.5
55.05500	2.3
57.07076	35.1
60.61962	0.7
67.05507	2.5
69.07076	3.0
70.90655	1.2
71.08634	24.3
73.06555	7.7
79.05505	0.8
81.07082	1.6
83.08618	2.8
85.10184	22.2
87.04483	4.7
87.08115	1.0
89.06035	100.0
90.52876	0.6
91.05457	1.5
93.07053	1.5
95.08620	1.8
97.10177	3.4
99.11752	4.1
105.07038	1.4
107.07087	1.8
111.11726	0.7
113.13286	1.9
117.07082	0.8
117.09128	5.5
119.08593	1.2
130.08661	2.6
131.07069	1.3
133.08609	48.2
135.10176	1.0
155.17941	4.2
161.11768	1.3
168.13817	1.1
175.09601	0.8
177.11234	20.4
199.20573	4.0
200.36632	0.6
221.13831	5.6
235.46692	0.9
239.14830	1.2
240.23277	1.2
243.23193	11.4
243.25473	0.8
256.26447	0.8
257.26776	0.8
264.49261	0.7
265.16245	1.2
283.17569	2.2
287.25864	7.5
297.16821	0.8
311.75662	0.6
327.20078	1.7
371.22748	7.8
393.32199	1.1
481.37354	1.8
498.41956	1.1
525.40027	15.6
542.42694	3.9
542.53809	3.1
543.36719	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05505	1.7
56.05035	1.8
60.04520	0.5
67.05500	0.6
68.05015	1.2
69.03442	0.9
69.07073	7.3
69.66911	3.5
70.02964	1.4
70.06593	80.9
71.06933	0.8
72.08165	4.8
73.04021	0.6
74.06075	1.2
79.05502	0.7
84.04510	2.3
84.08143	15.4
84.08635	1.1
85.02910	1.1
85.04032	2.3
86.06082	0.7
86.09706	100.0
87.05585	7.3
88.03976	0.9
89.41527	0.5
91.05486	0.6
93.07080	1.0
93.63089	0.7
96.08128	4.7
97.32246	0.5
98.02428	4.4
98.06038	0.6
98.09692	2.4
101.07159	1.0
108.08074	0.6
110.07164	2.5
110.09687	2.0
113.10767	1.8
115.05059	1.2
116.07125	1.0
120.08104	3.6
121.06517	0.7
124.07533	0.7
126.09143	0.6
129.10243	13.4
136.07593	1.2
137.05960	1.3
137.69652	0.6
138.09169	3.5
140.14317	1.4
141.10233	19.0
147.04427	1.2
155.11787	22.5
157.13330	1.6
183.09627	1.0
183.11287	15.0
183.14893	1.2
185.12871	1.1
196.24777	0.6
200.13942	81.6
203.10271	65.2
211.10638	0.7
211.14328	0.8
226.11963	0.7
228.13435	67.5
236.17426	1.7
242.18674	1.4
282.18069	2.1
313.22290	1.7
313.28409	0.7
316.18649	7.0
323.20886	1.1
324.18951	1.1
341.21835	33.0
346.66788	0.8
420.16125	0.6
517.31580	0.5
542.80255	1.8
543.22797	0.8
543.30957	1.2
543.38397	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	542.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32399	2.1
53.03941	3.6
55.05515	54.3
57.03443	13.1
57.03671	2.4
57.07081	13.9
59.05005	3.0
59.87468	2.4
67.05515	55.2
69.03436	3.5
69.07072	29.0
69.19303	13.9
69.19729	9.0
70.06601	6.0
71.08624	5.7
73.53646	2.2
79.05492	29.1
81.07059	55.1
83.04971	4.7
83.08621	39.6
85.06532	3.3
88.07639	9.3
89.06015	4.7
91.05474	11.5
93.07058	19.8
95.08610	36.2
97.06565	4.6
97.10180	70.4
102.09198	6.0
104.85190	2.3
105.07024	7.0
107.08618	29.2
109.10175	14.2
111.08097	2.8
117.07046	3.6
119.08589	6.9
121.10186	5.3
123.11710	5.7
125.09634	59.5
126.35357	2.1
133.10117	3.6
135.08090	5.1
135.11665	4.1
143.10690	2.8
147.11676	6.6
171.10257	5.9
189.11240	47.7
227.12778	99.1
245.13858	100.0
245.22539	3.7
256.26474	7.9
257.26709	11.9
258.27036	6.1
258.47348	2.4
263.23755	7.9
283.26462	2.7
284.26617	6.6
284.29437	3.6
285.26962	5.5
285.29800	4.6
312.29883	11.3
313.30124	8.5
337.27377	99.1
507.36877	85.4
541.53864	6.9
542.54199	76.8
549.16119	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	542.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05501	2.1
55.01876	4.1
55.05273	3.4
55.05514	47.1
56.92365	2.7
57.03437	12.6
57.06767	2.2
57.07076	12.3
58.07422	3.2
67.05505	42.3
69.03415	4.5
69.07074	19.8
69.45838	16.4
70.06582	7.0
71.08617	7.1
79.05493	17.1
81.07066	41.9
83.08626	36.4
84.84893	2.4
88.07618	9.1
89.06016	9.3
91.05470	7.8
93.07042	13.7
95.04991	3.1
95.08611	29.9
97.10171	62.3
102.09176	3.7
104.76420	2.6
105.07033	5.1
107.08598	24.0
109.10160	15.7
110.88397	2.6
117.06957	2.5
119.08562	2.5
121.10166	4.3
123.11718	4.7
125.09638	53.4
128.01076	2.6
133.08607	4.2
133.10123	4.1
135.08066	5.2
135.11751	3.2
147.11659	2.1
148.96680	2.4
153.09116	3.4
158.01389	2.5
170.05328	2.5
171.10158	4.6
189.11218	37.3
212.33569	2.4
227.12790	100.0
245.13857	94.4
245.22632	3.7
256.26318	7.0
257.26764	8.6
258.27176	2.4
263.23697	6.4
284.26538	4.3
285.29846	3.4
312.29752	9.5
313.30118	4.8
326.06012	2.5
332.35080	2.3
337.27399	71.6
507.36719	44.5
525.41913	2.5
542.54132	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31482	1.6
52.61538	1.8
53.38797	1.8
55.05494	1.7
56.05036	3.4
60.04507	2.4
60.05649	2.9
63.38118	1.7
67.05498	6.7
68.05036	2.7
70.06596	46.4
71.04988	3.8
72.08162	5.9
79.05485	4.1
80.04996	2.0
81.07078	2.1
82.06580	3.4
84.04501	3.4
84.08152	23.7
85.02908	4.7
86.06075	3.2
86.09706	9.2
86.21015	2.0
91.05476	7.9
93.07074	12.5
94.06567	10.2
95.04997	3.8
95.06118	2.6
95.07343	11.6
95.08606	3.0
96.04476	2.2
96.08136	26.6
97.06512	2.4
98.09700	6.3
103.05450	5.0
107.04971	2.1
108.08140	18.6
109.08910	2.3
109.10231	1.8
110.07178	7.4
110.09688	50.3
110.10410	3.5
112.08723	5.1
113.07143	2.4
115.08650	2.5
118.06602	2.1
120.08119	38.5
121.06509	2.1
122.06049	2.2
123.06823	2.0
124.07604	4.0
129.10268	4.4
132.08028	1.8
136.07602	19.1
137.09557	2.2
138.05521	6.4
138.09145	56.4
140.14368	2.3
146.06027	12.9
148.03966	1.8
148.07590	11.4
149.05930	2.2
163.07570	2.5
166.04980	4.8
166.08649	100.0
168.06573	2.0
172.03940	2.2
174.05495	1.9
175.07571	2.1
206.08163	4.0
211.08641	2.9
221.11679	3.7
223.08704	2.9
225.10255	4.4
227.08134	3.5
237.10219	11.2
239.08119	5.4
239.11784	3.0
241.09727	7.7
247.08769	2.0
251.08151	5.2
251.11905	2.0
252.08829	2.1
253.09871	14.2
255.11313	6.4
265.09732	28.0
267.07675	4.8
267.11304	8.9
269.09293	4.5
277.09805	2.7
281.09259	21.9
283.10809	14.7
287.10165	2.2
293.09122	19.5
295.10803	21.4
299.10266	6.2
301.11850	7.1
309.08777	3.2
311.10312	14.9
313.11813	6.7
316.88794	1.9
321.08603	10.7
325.11905	2.3
327.09763	18.3
330.12711	2.1
331.13010	2.4
332.15784	2.8
339.09842	23.7
341.11194	3.8
353.11395	5.0
359.12402	35.7
371.12369	17.3
412.17603	5.5
418.17612	5.8
419.22928	2.3
427.22446	4.1
427.56033	3.9
432.90295	20.5
433.23807	13.7
433.57074	7.1
446.17004	9.9
448.18561	3.5
464.18182	39.2
466.19717	11.3
474.16428	7.0
492.17657	79.5
496.20389	2.1
506.19327	7.0
510.18280	3.9
524.20428	25.9
542.20941	9.8
542.29065	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31482	1.6
52.61538	1.8
53.38797	1.8
55.05494	1.7
56.05036	3.4
60.04507	2.4
60.05649	2.9
63.38118	1.7
67.05498	6.7
68.05036	2.7
70.06596	46.4
71.04988	3.8
72.08162	5.9
79.05485	4.1
80.04996	2.0
81.07078	2.1
82.06580	3.4
84.04501	3.4
84.08152	23.7
85.02908	4.7
86.06075	3.2
86.09706	9.2
86.21015	2.0
91.05476	7.9
93.07074	12.5
94.06567	10.2
95.04997	3.8
95.06118	2.6
95.07343	11.6
95.08606	3.0
96.04476	2.2
96.08136	26.6
97.06512	2.4
98.09700	6.3
103.05450	5.0
107.04971	2.1
108.08140	18.6
109.08910	2.3
109.10231	1.8
110.07178	7.4
110.09688	50.3
110.10410	3.5
112.08723	5.1
113.07143	2.4
115.08650	2.5
118.06602	2.1
120.08119	38.5
121.06509	2.1
122.06049	2.2
123.06823	2.0
124.07604	4.0
129.10268	4.4
132.08028	1.8
136.07602	19.1
137.09557	2.2
138.05521	6.4
138.09145	56.4
140.14368	2.3
146.06027	12.9
148.03966	1.8
148.07590	11.4
149.05930	2.2
163.07570	2.5
166.04980	4.8
166.08649	100.0
168.06573	2.0
172.03940	2.2
174.05495	1.9
175.07571	2.1
206.08163	4.0
211.08641	2.9
221.11679	3.7
223.08704	2.9
225.10255	4.4
227.08134	3.5
237.10219	11.2
239.08119	5.4
239.11784	3.0
241.09727	7.7
247.08769	2.0
251.08151	5.2
251.11905	2.0
252.08829	2.1
253.09871	14.2
255.11313	6.4
265.09732	28.0
267.07675	4.8
267.11304	8.9
269.09293	4.5
277.09805	2.7
281.09259	21.9
283.10809	14.7
287.10165	2.2
293.09122	19.5
295.10803	21.4
299.10266	6.2
301.11850	7.1
309.08777	3.2
311.10312	14.9
313.11813	6.7
316.88794	1.9
321.08603	10.7
325.11905	2.3
327.09763	18.3
330.12711	2.1
331.13010	2.4
332.15784	2.8
339.09842	23.7
341.11194	3.8
353.11395	5.0
359.12402	35.7
371.12369	17.3
412.17603	5.5
418.17612	5.8
419.22928	2.3
427.22446	4.1
427.56033	3.9
432.90295	20.5
433.23807	13.7
433.57074	7.1
446.17004	9.9
448.18561	3.5
464.18182	39.2
466.19717	11.3
474.16428	7.0
492.17657	79.5
496.20389	2.1
506.19327	7.0
510.18280	3.9
524.20428	25.9
542.20941	9.8
542.29065	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	541.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.9
55.05519	6.5
57.07077	14.8
58.06608	1.3
58.07399	1.2
61.01151	8.9
61.59528	1.0
67.05509	25.4
67.63084	0.9
67.63456	0.8
69.07076	7.6
69.55367	2.2
69.55775	3.2
70.06590	10.4
71.06921	0.8
71.08639	6.4
72.04520	24.8
73.02917	1.5
78.03790	17.9
78.74831	0.7
79.05498	6.7
81.07060	25.9
83.08624	5.9
84.82458	0.9
85.06540	2.5
85.10178	3.2
86.06062	0.9
87.69505	0.8
88.02212	4.8
88.07636	14.3
89.07969	1.9
91.05482	4.2
93.07053	7.6
95.04992	2.2
95.08614	19.6
96.08156	1.1
97.06560	0.9
97.10168	3.9
98.02431	1.3
99.05577	2.4
102.03770	33.7
102.09175	11.5
103.02165	2.1
103.09508	1.0
105.07040	2.8
107.08582	4.2
109.10165	7.8
110.90228	1.1
111.08083	1.4
113.06010	2.3
114.03757	9.2
119.08608	3.0
120.04814	3.3
121.10155	4.4
123.11720	3.7
124.07600	2.0
131.06400	13.7
131.08551	1.3
132.04802	22.3
133.10118	2.3
135.11713	1.6
137.13274	1.5
142.08633	9.2
145.10091	1.2
147.11696	1.9
149.07446	52.4
149.13264	2.0
159.05901	1.7
160.46022	1.0
161.13268	2.0
163.14821	1.4
173.13283	1.0
175.14870	1.7
184.09721	2.8
243.11438	1.3
245.22775	0.8
251.19548	0.8
256.26355	21.0
257.26678	10.9
261.12741	5.9
263.23798	2.0
274.27335	1.0
275.23834	1.2
275.27689	1.5
283.26343	8.2
284.26700	4.2
284.29517	7.1
285.29834	4.3
292.26495	3.5
311.29401	15.7
312.29776	13.1
316.26422	2.9
317.24780	3.5
334.27435	30.0
361.19742	0.9
411.30411	100.0
412.30566	1.5
449.62103	0.8
506.44745	0.8
516.27264	1.1
523.35651	41.9
540.53534	18.5
541.53857	75.8
550.14191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01857	3.6
55.05499	9.2
56.05016	2.1
57.03425	4.3
57.07059	2.9
61.02926	3.4
67.05505	18.1
69.03123	2.2
69.03432	20.3
69.07057	8.3
70.06267	2.3
70.06601	31.2
71.04980	6.7
71.52015	3.2
72.08145	8.3
73.02902	2.7
79.05498	11.3
81.03419	17.0
81.07072	22.2
83.04970	5.8
83.08606	2.7
84.04500	5.9
84.08148	16.6
85.02910	35.1
85.06538	14.3
86.06087	3.3
86.09705	9.8
87.00819	12.7
91.03959	4.7
91.05485	14.6
93.07050	29.9
95.04960	8.1
95.08611	54.4
97.02900	15.7
97.06537	35.5
98.09689	5.7
99.04451	6.4
99.08047	2.9
103.05453	3.9
105.01859	8.7
105.07034	25.5
107.08606	30.9
108.08039	1.8
109.02870	12.6
109.06508	6.3
109.10142	12.0
110.07173	5.0
110.09654	2.4
111.08059	5.0
112.08725	2.2
113.09644	18.2
113.10345	2.9
117.06992	2.7
119.08589	37.8
120.08104	21.4
121.06511	13.3
121.10151	19.4
122.06070	2.1
123.08070	6.2
123.11752	4.5
123.97932	2.0
125.06075	2.6
125.09649	2.9
127.03919	25.4
127.11263	2.0
128.06226	2.9
129.06970	3.6
129.10217	5.1
131.08582	13.9
133.06485	3.1
133.10143	15.8
135.08037	7.5
135.11679	11.9
136.07576	3.4
137.09608	8.5
141.09122	2.4
142.07762	3.4
143.08562	9.0
145.04967	5.8
145.10126	19.4
147.04451	2.4
147.11682	8.8
149.05919	2.1
149.09624	24.8
149.13289	2.4
150.09106	6.1
151.07477	2.2
153.08955	2.0
155.08369	2.1
156.09297	2.9
157.10129	17.2
158.15367	3.2
159.02902	4.7
159.08084	2.6
159.11693	13.3
161.09601	3.1
161.13229	5.8
163.11205	5.1
165.09113	5.7
167.10663	4.0
169.10089	5.8
171.11685	10.7
173.13252	7.4
175.11200	4.7
175.14822	4.7
179.10651	2.3
183.11642	5.9
185.13199	3.8
187.14847	9.0
189.12706	2.8
191.14339	2.7
197.13246	4.5
199.14847	12.4
207.11427	3.3
212.93329	2.2
213.16518	2.5
215.14365	3.0
215.18065	2.5
217.15932	5.8
227.17874	8.6
239.17896	5.8
245.18909	10.6
257.18982	16.9
263.19943	2.5
275.20081	100.0
293.21118	27.4
361.23557	2.4
379.24619	2.9
470.58661	2.2
487.23190	7.9
505.24066	6.9
541.29871	17.9
550.13086	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	540.9885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98676	0.5
56.96569	5.2
60.99023	0.4
63.84119	0.4
69.96859	0.7
69.97247	1.0
71.95267	1.9
98.97589	87.0
116.98627	34.1
134.99675	7.8
140.00191	0.7
154.72253	0.4
172.94374	3.1
190.95366	2.5
214.95409	3.9
220.70390	0.4
230.98553	0.5
232.96452	6.3
234.99780	0.5
238.13205	0.4
240.98846	1.1
250.97592	2.7
256.96454	22.5
258.99802	9.1
261.03076	0.4
272.94446	0.5
274.97528	100.0
275.98001	0.4
276.97873	0.9
277.00830	9.1
282.99988	0.7
284.99777	0.4
290.95627	0.7
292.98572	47.0
297.99118	2.4
298.97672	1.8
300.02026	0.4
301.01004	0.9
314.95532	1.2
315.95859	0.3
316.00131	0.7
316.98886	2.6
317.98865	0.5
332.96747	1.5
356.96848	0.5
374.97949	0.8
382.99948	0.8
390.95746	0.4
398.97632	26.3
401.01025	2.4
414.95825	1.0
416.98703	45.3
432.96472	0.6
434.99927	5.9
440.00208	2.2
440.98752	0.4
456.96487	1.7
457.96222	0.6
459.00049	0.7
540.98840	18.9
541.99115	0.6
556.96777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56902	1.6
53.03937	5.2
55.01861	5.9
55.05503	7.6
56.05029	1.8
57.03425	6.6
57.07067	2.5
60.04515	3.3
61.02921	6.1
67.05192	1.9
67.05508	12.9
68.99783	2.8
69.03429	21.3
69.07070	8.6
70.06596	22.9
71.04980	5.9
71.51670	2.2
72.08162	9.1
73.02912	5.7
79.05492	10.6
81.03419	16.1
81.07063	19.5
83.04974	2.9
83.08617	5.1
84.04522	2.6
84.08143	14.7
85.02908	29.6
85.06541	14.0
86.06099	2.6
86.09705	8.0
87.00832	10.2
91.05476	13.5
93.07049	22.4
95.04966	9.3
95.08606	52.0
97.02897	11.5
97.06528	20.7
98.09713	4.2
99.04443	5.2
99.08094	2.7
103.05455	2.5
105.01865	7.6
105.07034	23.2
107.04890	3.2
107.08602	23.1
109.02890	14.6
109.06506	5.7
109.10159	9.9
110.07182	3.9
110.43082	1.8
111.08070	4.8
113.09630	16.0
114.09129	2.7
117.07018	3.5
119.08588	41.6
120.08108	34.4
121.06494	9.9
121.10150	18.2
122.09655	2.3
123.04442	2.1
123.08060	5.1
123.11730	3.9
125.09618	4.0
127.03922	20.9
129.07002	2.6
129.10231	3.4
131.08621	12.9
133.10132	13.2
135.04547	1.8
135.08049	9.0
135.11668	11.0
136.07576	4.6
137.09587	6.2
139.11163	2.3
142.07704	3.4
143.08586	8.4
145.04947	6.1
145.10118	20.6
146.05940	1.7
147.07994	3.9
147.11668	7.0
149.09619	20.7
150.09145	2.8
155.08545	3.5
156.09308	2.3
157.10139	15.0
158.15385	2.4
159.02875	5.1
159.08101	3.0
159.11688	11.9
161.09601	5.7
161.13264	5.8
163.11205	6.1
165.09143	2.4
167.10660	3.7
169.10065	3.2
171.11697	11.5
173.13278	3.8
175.11211	2.8
175.14830	6.0
179.14246	2.2
183.11700	4.3
185.13327	3.1
187.14792	8.7
189.12767	2.4
189.16278	2.3
197.13245	4.4
199.14766	10.3
201.12726	2.5
207.11320	3.9
213.16324	2.7
215.14447	2.8
217.15904	4.3
227.17929	6.9
229.12061	2.1
229.19606	2.8
231.05016	2.8
239.17963	4.3
245.18999	11.6
257.18991	19.9
257.66000	2.2
263.20166	1.9
275.20071	100.0
293.21152	23.1
298.36688	1.8
368.63565	1.7
379.24551	3.5
487.23447	4.8
505.24200	4.1
529.26050	2.2
539.27173	3.6
541.29382	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.05518	16.2
57.03428	8.9
57.07078	28.6
59.04984	4.1
67.05509	65.4
69.07068	11.6
69.85634	12.6
70.06590	10.3
71.04986	6.6
71.08636	27.3
79.05503	23.3
81.04426	2.8
81.07056	35.6
83.04995	3.7
83.08633	14.4
85.10176	7.6
88.07626	17.4
89.06002	4.4
89.89431	3.5
91.05477	16.0
91.05953	3.2
93.07043	25.7
95.04960	5.2
95.08619	30.2
97.10189	4.8
98.21495	5.2
99.08096	11.9
102.09183	19.8
105.07031	14.2
107.04944	3.7
107.08598	18.6
109.10171	42.5
111.08060	4.7
117.06975	3.4
119.08575	12.7
121.10163	13.1
133.10068	4.9
135.11699	14.9
145.10152	4.6
151.11223	5.3
155.10733	3.2
159.11797	4.0
161.13306	5.2
163.11221	8.0
164.11543	3.3
173.11780	8.8
179.14337	33.2
179.90749	2.7
181.12198	5.8
226.98917	3.1
227.12874	6.2
228.13161	5.3
229.14342	39.8
256.26343	28.4
274.27457	6.4
277.21652	26.3
283.15430	3.1
283.26312	11.8
284.29456	11.8
311.29407	40.3
313.27493	7.3
314.27682	12.0
334.90393	2.9
351.25360	16.5
410.29346	4.4
505.28525	2.1
505.35208	84.2
522.38684	7.6
540.40906	6.8
540.53485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74342	0.5
52.75171	0.5
55.01861	0.7
55.05512	0.6
59.72274	0.5
61.86282	0.5
67.05495	0.9
69.07072	0.7
70.04199	2.0
70.06602	2.7
70.21172	0.5
71.04959	0.6
75.96051	0.5
79.05479	1.9
81.03422	0.9
81.07054	1.4
84.08147	1.7
85.02895	1.4
86.09690	1.0
90.62432	0.5
91.05463	1.0
93.07053	1.1
94.06551	1.8
95.08601	0.8
98.09692	1.1
105.07040	2.5
106.06550	1.3
107.07355	8.6
108.04458	1.1
108.08116	2.2
117.07018	0.5
120.04454	0.7
120.08127	2.5
121.06504	1.3
121.08904	1.1
122.06011	1.0
122.09676	12.6
129.10129	0.7
133.06467	0.5
135.06808	2.3
136.07545	0.6
138.05484	0.8
138.09140	2.0
144.04385	0.7
146.06023	2.0
148.03923	0.6
148.07591	1.3
150.09148	100.0
162.05582	0.6
167.08455	0.5
172.03954	2.3
174.05444	0.8
182.09627	0.5
190.05005	1.1
195.09186	0.7
199.08600	0.6
204.06572	3.8
209.10774	1.8
211.08698	1.7
213.10129	0.8
219.09219	0.6
222.07843	0.7
223.08641	1.7
223.12314	0.7
224.09329	1.0
225.10161	2.4
227.08147	1.2
227.11746	0.8
236.09500	0.9
237.10257	9.1
238.10936	0.9
239.08221	4.7
239.11780	2.0
240.29889	0.7
241.09760	2.3
243.11295	0.8
247.08727	0.6
249.10324	0.7
251.08179	2.6
251.11824	1.1
252.08963	1.3
252.12640	0.6
253.09718	8.4
255.07651	0.6
255.11374	2.0
263.08173	0.8
264.08945	0.7
265.09744	17.4
266.06955	0.5
266.10550	1.8
267.07773	3.8
267.11252	4.9
269.09155	1.0
279.07654	1.0
279.11325	2.4
280.08670	0.6
280.12045	1.0
281.09329	8.9
281.12744	1.5
282.10074	0.7
283.10800	6.1
287.10309	1.6
293.09216	12.1
294.10007	0.7
295.10773	12.9
299.10318	2.8
307.10776	2.1
308.11594	8.5
309.08740	1.8
309.12292	12.0
311.10306	6.9
311.13666	0.8
313.11768	2.1
321.08719	6.7
325.11841	2.1
326.12726	1.4
327.09787	9.2
327.13348	0.9
330.12262	0.5
339.09769	20.7
341.11389	3.6
341.14795	0.9
345.20337	0.5
353.11407	2.3
358.15363	0.6
359.12393	9.8
359.16800	0.9
371.12357	8.6
372.13525	0.7
402.18164	4.0
420.19208	2.0
430.17609	3.6
432.19223	1.7
436.18451	1.0
448.18680	18.3
458.17148	1.2
476.18192	68.3
490.19873	4.7
494.19531	0.8
508.20837	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	538.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65700	1.6
55.05517	9.6
57.03433	2.5
57.07079	40.0
61.02922	3.0
62.44054	2.0
66.52895	1.5
67.05518	11.3
69.07059	8.4
71.08630	30.9
74.09719	1.7
75.04449	1.9
81.07051	13.2
83.08627	8.9
85.02903	2.7
85.10188	16.4
92.42097	1.5
95.08606	27.4
97.02892	3.0
97.10181	11.5
98.21535	3.7
109.10162	12.2
111.11716	5.5
121.10158	2.1
123.11694	7.3
131.05165	1.8
137.13297	2.2
164.50966	1.7
197.98840	1.6
224.11922	1.5
233.46951	1.8
267.26834	29.1
285.27881	3.1
341.30502	100.0
359.31567	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99353	0.8
55.01863	3.6
55.05524	4.4
56.67482	0.9
57.03423	1.8
57.07080	6.2
61.01156	12.8
67.05512	18.4
69.03426	2.0
69.07084	6.5
69.41397	0.9
69.81187	3.7
71.04990	1.3
71.08632	3.9
71.85925	0.8
72.04521	27.1
73.02920	2.7
75.71811	0.9
78.03796	23.8
79.05506	14.1
79.48228	0.8
81.03417	1.9
81.07065	15.9
83.04980	2.2
83.08636	3.2
85.02936	1.1
85.06538	3.8
85.10172	2.4
86.06068	1.0
88.02238	5.2
89.06039	5.8
89.07173	1.1
91.05473	8.0
93.07052	20.1
95.04972	2.6
95.08614	13.8
97.10178	1.4
98.20779	1.0
99.05576	3.3
102.03777	33.0
103.02174	1.8
105.07042	5.4
107.08619	9.0
109.02885	2.4
109.10162	6.8
111.04443	2.3
112.07584	1.3
113.06011	3.0
114.03771	9.9
115.02091	1.0
117.07022	2.6
119.08593	6.1
120.04794	6.3
121.06506	0.9
121.09422	1.3
121.10165	9.7
123.11723	2.4
124.07574	2.2
130.08658	1.7
131.06400	14.3
131.08548	4.3
132.04803	21.3
133.08617	2.2
133.10127	4.9
135.11707	5.3
141.06543	1.3
142.08644	8.6
145.10126	3.1
147.11690	2.6
149.07452	60.7
149.13261	1.9
159.05838	2.7
159.11693	3.9
161.13306	1.7
171.11655	1.5
173.13313	2.1
175.14841	1.7
177.12753	1.1
184.09702	3.2
187.14777	1.6
187.48178	0.9
191.00183	1.0
227.12833	0.9
239.23718	3.7
241.01289	0.9
243.11725	1.8
259.20624	1.1
261.12714	8.7
261.22186	2.4
290.24927	1.8
297.22067	1.2
313.27307	2.7
314.24927	4.5
315.23221	5.1
318.03088	0.9
332.25882	20.0
409.28879	100.0
410.29477	1.3
521.34131	49.9
539.29065	2.2
539.39771	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01857	1.6
55.05503	4.6
56.05026	4.7
56.60228	1.3
57.03411	4.4
57.07084	1.4
60.04517	3.1
67.05505	3.6
68.05017	3.8
69.03431	23.3
69.07071	7.4
69.15604	5.8
69.16034	8.3
70.02944	2.7
70.06596	46.3
71.04987	2.4
71.06940	2.7
72.08159	12.3
73.02909	2.4
74.06072	2.9
79.05482	6.0
81.03377	2.5
81.07047	5.3
82.06606	2.0
83.04983	3.0
83.08635	1.4
83.57760	1.2
84.04512	10.8
84.08144	30.7
84.25262	1.3
85.02918	14.4
86.06065	6.5
86.09703	35.2
87.04466	5.5
87.05569	2.3
88.03979	2.1
91.05492	13.6
93.07038	7.5
95.04953	3.4
95.06062	1.5
95.08591	6.2
96.08115	1.5
97.02901	9.9
97.06533	2.5
98.09695	6.6
98.20766	2.2
101.07156	2.6
102.05535	4.2
103.05457	1.8
104.05389	1.7
105.07047	14.1
107.04964	2.7
107.08602	14.3
109.02872	1.5
109.06496	3.5
109.10138	3.7
110.07169	11.4
112.08723	4.1
113.07121	1.5
115.03952	6.8
115.08694	1.5
117.07031	3.4
119.04951	6.1
119.08591	25.5
120.08128	8.2
121.06519	3.2
121.10140	10.9
123.11683	2.9
125.09619	6.0
127.03916	3.1
127.08669	3.2
129.06964	6.2
129.10265	9.8
130.04994	2.5
130.06529	2.1
130.07774	1.7
131.08562	21.4
133.04970	7.2
133.06459	1.5
133.10136	19.4
135.08046	7.1
135.11682	3.4
136.07588	24.1
137.06010	2.7
140.14284	2.6
143.08557	9.1
143.11765	3.4
144.09323	4.5
145.04967	2.6
145.10136	15.1
147.04411	9.4
147.11716	9.8
149.09633	3.3
149.13239	6.1
151.03949	1.4
151.08723	2.3
158.10907	14.1
158.15375	1.7
160.12337	1.4
163.11118	1.9
163.14819	1.6
171.11394	2.6
173.05751	1.6
173.13264	69.1
175.07468	3.5
175.08852	1.4
175.14812	26.9
187.07454	1.7
187.10890	1.5
189.12674	2.5
191.14313	100.0
192.07703	2.2
197.12987	1.4
209.15363	21.8
213.08775	1.7
213.12288	3.3
215.14136	1.9
230.11409	1.9
233.09090	1.6
244.09262	4.2
245.11499	2.1
247.13087	1.6
250.11949	1.5
261.14618	1.6
278.11331	2.3
279.13620	1.6
305.17468	7.0
323.18234	6.5
353.19821	1.9
371.20758	2.3
451.26450	1.6
485.23962	7.7
503.24841	2.4
531.27106	1.5
537.78156	1.8
538.17474	3.1
538.25330	6.8
560.46313	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01869	2.3
55.05506	4.9
56.05035	4.4
57.03423	3.0
67.05503	5.1
68.05060	2.1
69.03075	3.0
69.03430	20.1
69.07066	5.5
70.06597	36.1
71.05000	3.8
71.51161	2.1
71.51515	2.4
72.08157	11.8
74.02453	2.1
74.06084	2.2
74.99622	1.8
79.05492	5.4
81.03419	4.9
81.07055	5.1
83.04997	3.2
83.06078	2.1
84.04102	1.7
84.04519	11.3
84.08144	25.3
85.02905	12.7
86.06091	6.1
86.09709	21.9
87.04476	4.5
91.05482	12.8
93.07037	7.4
95.04938	2.4
95.08587	4.6
97.02885	10.2
98.09705	7.3
98.97659	3.3
99.04459	2.5
101.72368	1.7
102.05553	2.7
105.07035	15.1
107.04976	3.4
107.08600	17.3
109.06532	3.5
109.10128	4.2
110.07138	9.9
110.09763	1.7
115.03965	5.7
116.07008	2.0
117.07026	6.0
119.04938	6.0
119.08582	22.4
120.08114	6.6
121.06549	2.1
121.10143	13.0
125.09624	6.4
127.03935	5.6
127.08634	3.4
129.07008	4.4
129.10263	9.3
130.07803	2.8
131.08568	21.0
133.04977	9.2
133.10136	18.2
135.08104	5.0
136.07594	21.3
143.08574	8.2
143.11797	2.6
144.09343	2.8
145.10103	17.7
147.04424	10.3
147.11690	7.4
149.09569	2.2
149.13261	5.0
153.09207	2.1
158.10919	15.0
160.05069	4.4
160.12592	1.9
163.14934	3.1
171.11601	2.3
173.13264	68.1
175.07497	2.7
175.14822	31.4
185.05548	1.9
191.14313	100.0
193.15935	2.2
207.11246	2.1
208.63387	1.9
209.15399	23.0
293.17542	2.1
305.17429	8.1
323.18546	8.3
353.19406	2.3
485.23892	4.0
538.25464	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	538.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
53.24456	0.7
55.05498	1.6
65.03940	1.6
67.05489	3.1
69.07059	4.2
69.66003	3.4
70.06585	1.6
71.04983	1.9
72.08150	0.8
79.05507	4.9
80.05033	1.6
81.05797	1.1
81.07062	6.4
82.06578	2.0
84.08143	1.4
85.02908	1.3
86.09698	2.2
89.03926	1.2
91.05476	4.8
92.04992	1.0
93.05777	0.8
93.07045	12.4
94.06567	13.2
95.04954	1.3
95.07352	7.9
95.07910	1.2
95.08601	5.3
96.08135	23.3
97.06531	2.7
98.09618	0.9
98.21501	1.0
103.05411	1.2
105.07034	2.7
106.06541	1.9
107.08578	5.7
108.08115	15.9
109.08895	1.1
109.10159	3.4
110.07157	0.7
110.09684	37.6
111.11724	0.9
114.86618	1.1
116.04997	4.3
119.08651	1.6
120.04469	6.9
120.08112	26.8
121.06510	0.8
121.10159	9.5
122.06060	6.1
122.09649	1.1
123.06811	2.0
123.11748	4.2
123.12506	0.7
124.07600	6.6
127.03997	1.0
133.10112	1.3
134.06004	1.8
135.11682	2.8
136.07588	11.7
137.13199	0.7
138.05501	5.0
138.09146	49.8
144.04440	10.2
145.10028	0.7
146.06023	6.5
147.11734	0.9
148.03908	1.8
148.07573	8.8
149.13263	1.3
150.05511	1.9
152.07033	1.9
152.74185	0.7
155.10643	1.0
159.11729	0.8
160.03947	2.5
162.05568	4.5
163.11198	2.4
164.07094	1.6
166.05043	4.6
166.08644	100.0
172.03940	38.3
172.05457	1.7
174.05492	2.3
176.07114	0.8
178.05084	1.1
181.12265	1.7
190.04987	17.8
190.06572	1.4
192.07938	0.8
195.09148	1.5
197.10779	2.5
204.06566	15.2
209.10774	2.8
210.11635	0.9
211.08701	0.9
211.12331	1.9
212.09427	3.5
213.10222	1.4
213.68883	1.0
216.06598	1.6
221.10793	0.8
222.07916	1.2
222.11507	2.2
223.08597	2.4
223.12238	1.0
224.09453	3.4
225.10234	5.8
226.10953	1.3
227.11787	3.0
235.08662	1.7
236.09435	3.3
237.10240	15.6
238.11052	2.9
239.08148	2.5
239.11778	4.9
241.09671	4.1
245.12918	1.5
247.14314	1.5
249.10329	2.0
250.07361	1.8
250.11020	1.7
251.08194	2.9
251.11804	10.1
252.08913	2.2
252.12431	1.6
253.09708	8.8
253.12520	0.8
253.13139	0.7
255.11256	3.3
260.05353	0.9
263.11734	2.5
264.08932	2.2
265.09732	26.5
266.10461	3.4
267.11276	4.6
268.08469	1.1
269.09518	1.0
269.12787	1.1
271.10748	2.8
273.12341	7.8
278.06674	9.4
278.09732	1.3
279.11279	12.5
280.08383	3.7
280.11887	1.3
281.09207	2.6
281.12842	3.3
283.10803	9.6
285.12393	3.7
287.23697	1.6
289.09534	1.8
291.11148	1.2
292.08301	2.1
293.09207	25.9
294.10135	5.4
295.10855	2.3
296.11667	1.2
297.12289	8.4
299.10370	4.2
300.11023	2.3
305.24747	7.0
307.10760	6.4
309.12335	4.2
311.10349	4.6
312.11017	3.9
313.11859	6.5
323.10352	1.6
323.25842	8.4
325.11835	25.7
327.13290	1.1
335.10245	9.5
339.09671	1.2
339.13580	1.0
340.10510	3.9
341.11334	29.3
343.13101	1.5
353.11295	22.8
357.14337	3.0
373.13959	6.4
385.13882	6.4
406.17429	1.3
418.17355	1.3
434.20609	1.2
437.19431	1.3
442.17657	1.4
446.17087	0.9
460.18597	5.9
462.20160	1.0
464.18448	1.0
465.19110	8.6
478.19781	11.0
488.18192	15.6
492.21072	1.0
506.19247	85.1
507.19418	1.4
538.21851	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	538.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	1.3
53.03944	2.0
55.05510	1.9
61.83916	1.3
65.03955	1.2
67.05502	2.4
69.03428	2.4
69.07066	1.9
69.89323	2.6
69.89732	5.3
70.06591	5.8
71.05000	3.7
79.05499	7.2
80.33949	1.5
81.03409	3.8
81.07036	3.4
82.06590	2.1
83.04958	1.6
84.08132	4.0
85.02916	3.4
86.09705	5.9
91.05489	5.6
93.05786	1.4
93.07047	13.7
94.06577	10.6
95.07378	8.5
96.08140	20.4
97.06524	4.5
98.09696	16.9
99.04472	2.9
99.10047	5.1
103.05441	2.3
105.07064	4.3
106.06535	1.6
107.08570	6.5
108.04446	1.4
108.08128	17.2
109.02882	5.2
110.09686	39.6
116.04988	5.2
118.06524	1.9
119.04955	7.4
119.08565	2.1
120.04455	6.9
120.05250	2.5
120.08117	24.9
120.32498	1.3
121.06489	3.5
121.08427	1.6
121.10149	5.2
122.06034	6.2
124.07577	6.6
127.03938	6.6
134.05966	1.9
135.08032	1.9
136.07584	11.2
137.63492	1.4
138.05502	4.7
138.09152	47.8
140.14381	6.4
141.14658	1.9
144.04448	7.0
145.10115	5.5
146.06027	6.1
147.04439	22.6
147.11800	1.3
148.04823	12.8
148.07521	7.7
149.05038	4.8
149.09601	2.9
150.05528	11.0
158.15390	6.6
159.15723	3.3
160.03909	1.8
162.05493	4.4
163.11188	14.4
164.07100	2.1
166.04991	4.7
166.08655	100.0
167.10692	4.3
169.08629	4.2
172.03952	37.6
174.05484	2.4
181.12222	3.6
188.07147	1.3
190.04993	17.8
191.10681	9.0
194.55493	1.3
194.86864	1.4
197.10791	1.9
204.06593	13.4
209.11917	7.8
212.09465	2.8
213.10367	1.6
216.06497	1.5
223.08717	1.9
224.09470	4.1
225.10193	5.4
226.10788	1.8
227.12921	13.4
236.09485	3.4
237.10226	13.2
238.10988	4.0
239.08105	2.0
239.11768	4.0
239.14136	1.4
241.09715	4.5
245.12978	1.5
247.14523	1.5
249.10286	2.6
250.07318	1.7
251.08270	3.6
251.11742	10.0
253.09846	8.2
253.13574	1.7
255.11293	3.7
263.11624	1.9
264.08795	3.3
265.09711	21.5
266.10498	3.3
267.11295	4.3
269.13461	1.9
271.10797	3.6
273.12323	7.4
278.06610	8.1
279.11325	13.8
280.08609	2.7
281.09241	3.3
281.12680	2.4
283.10837	6.9
285.12442	2.6
288.05917	3.2
289.06116	2.6
289.09604	2.2
290.06357	1.9
291.11383	1.6
292.08139	2.8
293.09192	22.3
294.09964	6.3
296.11581	2.4
297.12463	7.1
299.10379	2.1
300.11057	1.6
307.10843	5.4
309.12271	4.2
311.10336	2.9
312.11203	5.2
312.14899	1.5
313.11826	6.1
325.11871	21.3
335.10300	7.3
340.10516	3.9
341.11316	29.8
341.15143	2.8
353.11346	25.6
353.15814	5.4
371.17123	3.1
373.13821	5.4
385.13840	5.5
437.19604	2.1
460.18787	5.7
465.18784	11.2
478.19791	9.6
488.18237	15.0
494.26593	3.5
497.86618	1.7
506.19290	86.1
524.69873	1.7
538.25842	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	1.3
53.03944	2.0
55.05510	1.9
61.83916	1.3
65.03955	1.2
67.05502	2.4
69.03428	2.4
69.07066	1.9
69.89323	2.6
69.89732	5.3
70.06591	5.8
71.05000	3.7
79.05499	7.2
80.33949	1.5
81.03409	3.8
81.07036	3.4
82.06590	2.1
83.04958	1.6
84.08132	4.0
85.02916	3.4
86.09705	5.9
91.05489	5.6
93.05786	1.4
93.07047	13.7
94.06577	10.6
95.07378	8.5
96.08140	20.4
97.06524	4.5
98.09696	16.9
99.04472	2.9
99.10047	5.1
103.05441	2.3
105.07064	4.3
106.06535	1.6
107.08570	6.5
108.04446	1.4
108.08128	17.2
109.02882	5.2
110.09686	39.6
116.04988	5.2
118.06524	1.9
119.04955	7.4
119.08565	2.1
120.04455	6.9
120.05250	2.5
120.08117	24.9
120.32498	1.3
121.06489	3.5
121.08427	1.6
121.10149	5.2
122.06034	6.2
124.07577	6.6
127.03938	6.6
134.05966	1.9
135.08032	1.9
136.07584	11.2
137.63492	1.4
138.05502	4.7
138.09152	47.8
140.14381	6.4
141.14658	1.9
144.04448	7.0
145.10115	5.5
146.06027	6.1
147.04439	22.6
147.11800	1.3
148.04823	12.8
148.07521	7.7
149.05038	4.8
149.09601	2.9
150.05528	11.0
158.15390	6.6
159.15723	3.3
160.03909	1.8
162.05493	4.4
163.11188	14.4
164.07100	2.1
166.04991	4.7
166.08655	100.0
167.10692	4.3
169.08629	4.2
172.03952	37.6
174.05484	2.4
181.12222	3.6
188.07147	1.3
190.04993	17.8
191.10681	9.0
194.55493	1.3
194.86864	1.4
197.10791	1.9
204.06593	13.4
209.11917	7.8
212.09465	2.8
213.10367	1.6
216.06497	1.5
223.08717	1.9
224.09470	4.1
225.10193	5.4
226.10788	1.8
227.12921	13.4
236.09485	3.4
237.10226	13.2
238.10988	4.0
239.08105	2.0
239.11768	4.0
239.14136	1.4
241.09715	4.5
245.12978	1.5
247.14523	1.5
249.10286	2.6
250.07318	1.7
251.08270	3.6
251.11742	10.0
253.09846	8.2
253.13574	1.7
255.11293	3.7
263.11624	1.9
264.08795	3.3
265.09711	21.5
266.10498	3.3
267.11295	4.3
269.13461	1.9
271.10797	3.6
273.12323	7.4
278.06610	8.1
279.11325	13.8
280.08609	2.7
281.09241	3.3
281.12680	2.4
283.10837	6.9
285.12442	2.6
288.05917	3.2
289.06116	2.6
289.09604	2.2
290.06357	1.9
291.11383	1.6
292.08139	2.8
293.09192	22.3
294.09964	6.3
296.11581	2.4
297.12463	7.1
299.10379	2.1
300.11057	1.6
307.10843	5.4
309.12271	4.2
311.10336	2.9
312.11203	5.2
312.14899	1.5
313.11826	6.1
325.11871	21.3
335.10300	7.3
340.10516	3.9
341.11316	29.8
341.15143	2.8
353.11346	25.6
353.15814	5.4
371.17123	3.1
373.13821	5.4
385.13840	5.5
437.19604	2.1
460.18787	5.7
465.18784	11.2
478.19791	9.6
488.18237	15.0
494.26593	3.5
497.86618	1.7
506.19290	86.1
524.69873	1.7
538.25842	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67350	0.6
53.03947	3.0
53.20472	0.6
55.01870	3.2
55.05515	6.1
55.73915	0.5
56.05029	0.8
57.03423	2.3
57.07077	3.5
61.02906	1.5
63.04617	0.5
67.05235	0.5
67.05507	5.3
68.99756	0.8
69.03431	9.5
69.07069	9.8
70.06593	5.1
71.04973	2.4
71.51890	0.6
72.08132	1.1
73.02923	3.0
79.05496	3.5
79.64244	0.5
81.03416	11.7
81.07058	13.5
83.04998	0.7
83.08615	4.0
84.04507	1.3
84.08145	3.8
85.02906	21.4
86.07836	0.5
86.09705	4.6
87.00829	9.4
91.03936	1.2
91.05473	4.9
93.07042	12.8
94.06584	0.6
94.07249	0.6
95.04973	0.6
95.08611	14.6
97.02892	9.0
97.06514	0.7
97.10172	5.7
98.09661	1.2
99.04460	3.9
105.01875	6.1
105.07034	8.2
107.08598	17.2
109.02879	11.3
109.10155	12.5
110.07178	1.0
111.11712	2.0
115.03954	0.8
117.01822	1.4
117.07049	1.5
117.35356	0.6
118.28463	0.5
118.97220	0.5
119.04930	0.8
119.08589	18.1
120.08075	1.5
120.80698	0.7
121.06485	1.4
121.10149	14.8
123.08097	1.1
123.11713	5.7
125.09618	1.0
127.03921	15.7
129.01822	1.2
129.10242	1.4
131.08560	3.3
133.10132	10.8
135.11694	16.7
136.07510	1.0
137.13257	5.0
143.08539	1.2
143.10661	1.6
144.09398	1.0
145.04951	6.3
145.10132	9.8
147.04405	1.8
147.11674	8.6
149.13258	9.6
151.14809	1.2
156.45056	0.6
157.10126	1.7
159.02885	6.6
159.11694	10.0
161.13266	16.4
163.04019	0.8
163.14827	26.5
171.11673	1.8
172.12389	0.6
173.13268	7.3
175.14832	13.7
177.16397	1.8
179.14293	1.6
185.13202	0.8
187.14816	10.8
189.16377	4.6
191.18030	0.8
199.14851	2.2
201.16399	7.9
202.17200	1.8
203.17946	2.0
205.15985	0.6
213.16447	4.7
215.17955	25.3
216.18654	1.0
217.19525	1.4
227.17902	3.5
228.18764	8.0
229.19504	6.0
231.04909	3.5
241.19519	7.6
242.20058	0.8
256.21933	4.8
261.59036	0.6
269.22656	0.8
271.24213	100.0
273.25833	1.8
287.05591	2.2
288.05798	1.0
289.06091	1.4
289.25232	6.8
303.23260	1.3
321.24258	3.1
339.25269	1.8
339.49017	0.6
359.15167	0.7
498.75323	0.6
506.19464	0.6
519.30481	0.7
537.22986	1.6
537.30426	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.1
54.27426	0.9
55.01865	4.3
55.05510	5.8
57.03437	2.9
57.07080	2.7
61.02923	3.1
64.18908	1.0
67.05508	8.2
68.05009	1.0
68.99789	1.7
69.03432	11.5
69.07072	9.8
70.06597	10.8
71.04978	2.9
71.52223	1.5
72.08150	2.7
73.02917	3.8
79.05495	8.1
81.03424	19.5
81.07053	13.0
83.08639	2.0
84.04509	1.4
84.08144	7.4
85.02912	30.3
85.12688	1.0
86.06079	1.0
86.09726	5.3
87.00830	10.3
87.04478	1.2
91.03994	1.2
91.05473	6.6
93.07046	18.2
95.04993	2.5
95.08620	11.2
97.02899	9.8
97.06521	1.3
97.10179	2.7
99.04462	7.6
105.01878	6.7
105.07035	8.9
107.04940	0.8
107.08599	18.3
109.02892	14.3
109.06512	1.3
109.10155	11.4
110.07179	1.8
112.08772	1.0
117.01898	1.7
117.07016	3.0
119.08602	11.0
120.08118	2.0
121.06538	2.1
121.10146	10.0
123.04464	1.1
123.11727	11.3
125.09743	1.2
127.03929	22.6
129.01846	3.1
129.07034	2.1
129.10278	2.9
131.08609	6.4
133.02907	1.5
133.10135	9.9
134.06050	1.7
135.04399	1.1
135.11703	23.4
136.07619	1.8
137.13264	5.1
143.08563	2.0
145.04967	7.7
145.10150	8.1
146.94930	0.8
147.02893	1.6
147.04356	1.0
147.11667	8.1
149.13280	10.0
150.09189	1.0
151.09760	0.9
155.10693	1.1
157.10081	2.2
159.02924	9.4
159.11682	7.8
161.13283	6.2
163.14822	7.6
169.10120	1.0
171.11729	1.8
173.13284	6.7
175.14824	5.9
177.16328	1.2
179.03404	7.4
185.13226	1.0
187.14818	7.3
189.16406	3.4
199.14806	2.4
201.12129	1.2
201.16411	5.9
203.18034	1.4
214.17039	1.0
215.17941	10.0
227.17976	2.6
228.18710	3.1
229.19571	2.5
231.04999	4.6
270.01776	0.9
271.24225	100.0
272.24789	0.9
273.25763	3.1
287.05579	3.3
288.05875	2.4
289.06064	2.3
289.25317	5.2
339.13431	2.5
340.13885	2.2
368.13318	1.2
505.21725	7.7
537.24152	2.1
537.35876	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	537.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01876	4.3
55.05516	3.9
57.03419	2.4
57.07066	2.4
61.02925	2.5
62.94857	0.8
67.05506	4.6
68.99812	1.1
69.03088	1.1
69.03434	12.6
69.07076	6.9
69.84078	1.8
69.84481	2.4
70.06593	7.8
71.04984	2.3
72.08154	1.6
73.02899	2.4
79.05502	7.4
81.03418	17.4
81.07060	12.8
83.04977	0.8
83.08605	2.1
84.04507	1.0
84.08152	6.1
85.02913	27.8
86.06054	1.8
86.09726	6.1
87.00838	10.3
91.03941	1.2
91.05479	6.5
93.07048	15.7
95.04977	1.7
95.08618	9.2
97.02903	10.7
97.10174	1.4
98.09692	0.9
99.04469	6.9
105.01877	7.6
105.07037	7.9
107.07410	1.1
107.08609	13.5
109.02885	14.3
109.06525	1.1
109.10161	9.2
110.07159	1.8
111.11719	2.0
117.01888	1.9
117.07023	2.1
119.07774	1.2
119.08592	10.0
120.08121	1.4
121.06496	2.3
121.10138	9.6
122.09643	1.0
123.04410	1.2
123.08073	1.2
123.11712	8.3
127.03928	21.9
128.36311	0.8
129.01816	1.9
129.07024	1.2
129.10236	0.9
131.08554	4.1
133.10130	7.8
134.05986	1.0
135.08095	1.3
135.11705	22.7
136.07503	1.5
137.09575	0.7
137.13271	5.7
143.08571	1.1
145.04948	8.1
145.10143	7.3
147.02853	1.7
147.11707	6.5
149.13269	10.3
150.09152	2.4
151.09497	1.1
151.48351	0.9
155.08496	0.9
157.10132	1.9
159.02898	8.2
159.11719	6.7
161.09660	0.9
161.13246	6.4
163.11147	1.2
163.14854	5.9
171.11676	2.7
173.13295	7.2
175.14844	5.8
179.03423	7.6
185.13301	1.3
187.14845	4.2
189.16324	2.9
199.14909	1.5
201.16408	6.0
203.17966	1.1
213.03912	1.2
213.16365	1.0
215.17964	7.8
217.19530	0.8
227.17830	1.5
228.18756	2.4
229.19478	1.6
231.05020	4.2
271.24219	100.0
273.25854	4.4
275.08945	0.8
279.10571	0.9
287.05475	2.9
288.05841	2.4
289.06055	2.9
289.25223	5.2
306.22757	0.9
339.13513	2.0
340.13684	3.6
355.12610	1.2
367.12927	1.3
368.13266	2.9
375.75061	1.0
427.23190	0.8
473.19241	1.5
477.22278	0.9
501.28723	1.4
504.22311	0.9
505.21667	11.2
519.35425	1.3
537.23566	2.5
537.35870	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	537.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.2
57.03445	1.8
57.56361	1.4
58.99571	1.8
65.03948	3.9
67.05500	1.8
69.03426	4.9
69.07043	2.5
69.44099	2.8
69.44511	7.8
70.06602	17.2
72.08156	5.7
76.02229	13.0
81.03414	6.6
84.04507	7.4
84.08152	10.6
85.02937	8.4
85.03396	1.8
86.06081	2.6
86.09716	12.3
91.05488	3.6
92.04980	2.8
94.06569	2.0
95.05004	2.1
96.08131	4.2
97.02894	3.9
98.09699	3.9
99.04433	2.5
103.03954	3.2
105.07018	2.1
108.08127	5.8
110.09678	6.7
116.01683	4.3
116.04984	3.5
120.04465	6.5
120.08095	9.5
122.06027	5.8
124.07645	2.2
127.03913	5.3
129.10226	4.3
130.05026	2.8
134.06000	2.2
136.07593	10.1
138.09177	8.6
140.14307	2.1
144.04457	7.7
145.04922	1.9
146.06123	1.7
147.04399	1.6
147.26669	1.7
148.03938	92.9
152.10741	1.8
154.08633	1.5
162.02232	3.3
162.05495	4.7
163.02573	2.6
166.05013	12.6
166.08656	19.4
172.03943	46.2
177.03329	3.1
179.04851	11.4
180.05222	3.3
189.32352	1.7
190.05048	10.2
193.12251	1.8
194.12553	1.9
204.06569	100.0
205.06783	1.5
212.13538	3.4
222.07645	3.7
227.11673	2.7
233.05986	1.9
255.11290	17.1
273.12341	15.2
283.10791	15.1
287.05307	2.3
301.11835	64.9
301.90240	1.7
308.09052	9.8
309.09225	8.7
319.12747	2.2
325.12085	3.3
339.13391	2.4
343.12885	63.2
345.05463	1.9
357.14420	22.0
375.15536	6.4
483.11398	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	536.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
56.05029	0.8
58.06595	0.9
65.03931	0.6
66.97374	0.4
67.05515	3.9
68.05035	1.2
69.03436	2.2
69.07059	1.3
70.06597	14.5
70.18614	0.4
71.01337	0.4
71.04984	1.0
71.52120	0.4
72.08155	1.4
73.02901	0.6
81.07044	0.9
82.06612	0.5
83.04986	1.5
84.04494	0.9
84.08151	6.3
85.02901	2.8
86.04576	0.4
86.06069	1.0
86.09711	2.8
87.00829	0.7
91.05483	6.4
93.07031	0.8
94.06651	0.5
95.08616	0.6
96.08162	1.0
97.02895	0.7
98.09699	100.0
100.86880	0.4
107.08553	0.6
109.10176	0.9
110.07151	0.8
110.09679	0.5
111.04433	1.3
111.10461	1.5
112.11245	1.1
115.03889	0.4
119.04958	17.3
119.08563	0.6
120.08118	1.5
121.06510	0.5
121.10116	0.5
126.12786	0.8
127.03918	0.6
129.05508	0.7
129.10284	1.7
130.04996	0.4
136.07605	1.1
140.14348	27.6
144.13898	1.0
147.04419	85.6
148.04869	0.4
151.73672	0.5
158.15398	4.3
159.21570	0.5
166.08742	1.0
168.09052	0.4
217.15971	0.4
254.80469	0.4
287.05582	1.9
288.05820	3.1
304.19086	4.2
438.14014	1.0
492.26004	9.3
507.26056	0.5
536.25012	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07946	1.5
53.03941	4.0
55.01877	3.9
55.05507	9.8
56.05029	4.6
57.03425	3.4
57.07075	3.2
58.06598	1.5
59.04992	2.2
60.04516	2.2
60.05626	2.1
61.02923	2.8
62.92650	1.8
66.54433	1.4
67.05511	18.6
68.05034	3.1
69.03439	14.4
69.07075	51.8
70.02941	2.1
70.06598	33.5
70.70549	4.3
71.04991	6.4
72.08160	7.0
73.02922	4.7
79.05509	7.6
81.03416	8.3
81.07066	38.4
83.04990	3.2
83.08619	5.7
84.04498	6.3
84.08151	29.6
85.02908	20.4
85.06555	2.1
86.03252	3.1
86.06076	3.3
86.09713	12.3
87.00848	2.6
91.03958	1.8
91.05482	12.3
93.07052	27.1
95.04984	7.3
95.08614	32.1
96.80111	1.4
97.02917	7.9
97.06548	5.0
97.10191	4.0
98.09706	15.5
99.04441	2.8
103.05473	3.0
104.94019	1.8
105.01867	2.7
105.07049	16.3
107.04975	2.2
107.08598	26.7
109.02898	5.9
109.06525	5.5
109.10159	46.3
110.06049	2.1
110.07181	3.6
110.09709	1.8
111.04465	1.8
111.11723	9.8
112.07633	2.4
113.06030	1.7
117.07001	1.9
119.04941	2.4
119.08602	13.2
120.08121	9.3
121.02887	1.7
121.06512	13.6
121.10142	19.0
122.05978	1.8
122.09593	1.7
123.04438	1.9
123.08102	3.2
123.11720	29.8
125.09618	2.4
126.55552	1.4
127.03933	8.6
128.04207	2.1
129.10255	8.4
130.06543	2.1
131.08568	6.7
132.08200	1.6
133.06480	1.8
133.10129	12.7
134.06085	1.8
135.08060	5.1
135.11685	23.2
136.07597	5.8
137.09633	3.6
137.13280	3.2
139.11195	6.3
140.14334	3.7
143.08577	3.4
145.04994	3.6
145.10129	7.4
147.04427	5.5
147.08086	1.7
147.11749	12.1
149.09637	2.9
149.13293	6.0
150.09151	8.6
151.11182	16.5
153.12723	3.9
157.10110	3.7
159.02893	2.9
159.09222	2.0
159.11670	4.9
161.09618	4.9
161.13286	4.8
163.11188	5.5
163.14818	2.4
165.09178	1.6
165.12737	4.3
172.03934	8.2
173.13322	7.2
175.14778	5.2
177.09123	3.8
177.12766	1.9
179.10707	21.4
181.12209	11.1
187.14793	2.7
189.16527	1.8
191.10716	2.4
193.12247	4.4
193.15852	2.3
197.11768	2.6
197.41690	1.7
201.16440	4.3
203.18004	4.0
204.06596	12.4
217.19560	2.4
221.15364	2.3
243.21065	2.8
257.22675	3.9
263.19937	1.8
271.11154	1.7
273.94907	1.9
275.23807	5.6
279.11288	2.1
285.22089	6.0
287.05515	34.9
288.05859	45.5
299.06256	4.0
303.19693	2.2
303.23203	70.7
321.24258	100.0
339.13260	10.9
339.25266	4.7
341.14880	2.4
355.12988	1.9
367.13010	3.7
381.24521	1.6
499.05316	1.9
504.21094	7.0
536.22711	9.9
536.30914	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	536.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
55.05508	0.6
55.07393	0.2
56.05033	0.2
61.00148	0.2
65.03936	1.0
67.05502	1.7
69.03422	2.3
69.07064	0.4
70.06210	0.2
70.06593	4.3
70.66008	0.6
71.04985	0.9
81.03406	0.8
81.07039	0.2
83.04984	1.4
84.08136	1.1
85.02905	2.3
86.03236	0.2
86.09675	0.3
87.00842	1.0
91.04906	0.4
91.05481	8.4
96.08159	0.2
97.02891	0.4
98.09694	42.0
99.04481	0.3
109.02882	0.7
109.10149	0.5
111.04465	1.4
111.10455	0.4
112.11205	0.3
119.04943	22.6
127.03944	1.1
128.04294	0.3
129.05490	1.2
129.10196	0.3
140.14340	15.3
145.04939	0.4
147.04410	100.0
148.04744	0.5
150.20866	0.2
154.02237	0.2
158.15405	23.9
219.86653	0.2
225.05502	0.3
287.05499	4.5
287.08435	0.3
288.02576	0.3
288.05841	6.6
304.19077	13.1
336.79550	0.2
379.10007	0.2
385.21252	0.3
492.25940	7.3
536.24902	51.0
537.25439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.1
67.05466	0.3
69.03416	0.2
69.77143	0.8
70.06547	0.5
79.05484	0.3
80.04978	0.3
81.03379	0.2
81.07007	0.4
82.06524	0.2
84.04481	0.1
84.08092	0.6
85.02867	0.4
86.09688	0.2
86.32349	0.1
91.05437	0.4
93.07030	0.3
94.06527	0.5
95.08546	0.5
97.02859	0.2
101.75671	0.2
105.07008	0.7
106.06560	0.7
107.07333	3.3
107.08488	0.2
108.04459	0.2
108.08121	3.1
109.10100	0.2
117.05696	0.1
118.16615	0.1
119.08560	0.2
120.04469	2.0
120.07399	0.1
120.08118	1.6
121.06501	0.2
121.08881	1.2
122.06006	0.5
122.09670	5.7
127.03895	0.2
129.10255	0.2
130.06497	0.1
132.08066	0.4
134.09607	0.2
135.06749	0.6
135.10448	0.2
136.07596	1.1
136.11203	2.0
137.80031	0.2
138.09148	0.2
144.04442	0.3
146.06000	0.7
147.61319	0.1
148.07539	0.6
149.08337	0.2
150.09142	17.0
152.06100	0.1
152.07091	1.6
152.10666	0.4
158.06026	0.1
160.07564	0.2
162.09071	0.2
164.07027	0.4
164.10686	0.8
165.11452	0.6
166.08659	1.0
166.12276	1.0
170.09686	0.1
172.03979	0.9
174.05540	0.3
174.09178	0.2
176.10623	0.3
177.07854	0.5
178.08525	0.2
180.06612	0.2
180.10165	0.2
183.09065	0.2
184.09897	0.2
185.10739	0.4
188.07080	0.2
188.10645	0.2
190.04968	0.5
192.06563	0.3
192.10205	0.7
194.08163	1.7
196.09917	0.4
197.10762	0.9
198.11497	0.3
199.08705	0.2
199.12256	0.4
204.06557	1.4
206.08188	0.3
208.09891	0.2
209.10825	0.7
210.11349	0.3
211.08623	0.5
211.12253	0.8
212.09402	1.0
212.13008	0.2
213.10268	0.9
213.13725	0.2
218.08281	0.2
221.10672	0.5
222.11365	0.2
223.08647	1.2
223.12187	1.0
224.09497	1.0
224.12930	0.1
225.10213	2.9
226.10970	0.5
227.08130	0.2
227.11777	0.9
229.13231	0.4
233.10741	0.6
234.11456	0.2
235.08647	1.4
235.12354	0.4
236.09276	1.4
237.10217	5.7
238.10957	1.7
239.08145	1.3
239.11784	3.2
240.12654	0.2
241.09694	0.9
241.13322	0.5
247.08597	0.2
248.09322	1.1
249.10239	5.1
250.08310	0.2
250.10976	2.2
251.08144	2.6
251.11774	4.5
252.08943	0.5
252.12561	0.9
253.09740	4.0
253.13304	0.6
254.10521	0.7
255.11391	0.6
257.12851	0.3
261.10220	1.7
262.10983	0.9
263.08200	0.6
263.11777	2.4
264.08844	0.7
264.12494	0.2
265.09726	8.2
265.12747	0.3
266.06870	0.1
266.07858	0.2
266.10449	1.2
266.13184	0.2
266.14050	0.2
267.08072	0.2
267.11282	3.5
267.14453	0.3
268.12015	0.5
269.09122	0.5
269.12888	0.6
271.08084	0.3
271.10785	2.4
271.14395	3.9
275.08133	0.2
276.08905	0.4
277.09717	2.3
278.10486	3.7
279.07645	3.2
279.11261	7.3
279.14383	0.3
280.08572	0.4
280.12006	1.7
281.09192	1.5
281.12817	1.7
282.09955	1.0
282.13406	0.2
283.10773	5.9
283.14005	0.4
284.11566	0.4
285.12299	0.8
286.13235	0.2
287.05432	0.5
287.13931	0.3
288.05817	0.7
289.09732	3.4
290.10501	0.3
291.08121	0.3
291.11282	1.5
292.08368	0.2
293.09192	2.0
293.12827	4.2
294.10010	3.6
294.13446	0.4
295.10785	2.3
295.14383	0.7
296.11548	1.4
296.14670	0.3
297.08734	0.6
297.12338	1.4
297.15421	0.2
298.09424	0.6
299.10236	1.9
299.13901	0.5
305.09152	0.2
306.09827	0.9
307.10764	1.4
308.11572	1.3
309.08688	0.5
309.12320	2.4
310.13107	0.2
311.10223	5.4
311.13867	1.3
312.11069	1.6
313.11874	1.8
314.12616	2.0
315.13174	0.2
317.09213	0.5
319.07153	0.1
319.10782	0.5
319.16800	0.2
321.08807	0.2
321.12186	0.7
323.10172	0.7
323.13889	1.3
324.11096	1.7
325.11838	1.9
325.15573	0.3
326.12616	4.9
327.13400	7.5
328.14331	0.2
330.12674	0.2
332.17413	0.3
335.10287	4.1
336.10962	0.3
337.08240	0.2
337.11789	1.4
339.13388	45.9
340.10483	1.4
340.14035	0.5
341.11252	0.2
341.15079	0.4
342.16013	0.3
344.13968	0.2
346.15286	0.2
352.10556	0.9
353.11264	0.5
354.12100	1.4
355.12839	5.7
355.16647	1.1
357.14496	0.3
358.15259	0.2
358.19312	0.3
360.17038	0.7
364.20193	0.2
367.12888	14.5
369.14633	0.6
370.15329	0.3
371.12335	1.3
371.16388	0.3
372.13165	0.2
374.14743	0.2
374.18701	0.3
376.20212	0.3
382.15732	0.2
383.12018	0.2
384.12900	0.2
384.17136	0.3
385.14047	0.5
386.14633	1.3
386.18619	0.2
387.15472	2.2
387.19962	0.2
388.16486	0.3
392.19629	0.4
393.20511	0.4
398.18777	0.2
399.15530	7.9
402.18237	0.3
403.18997	0.3
404.19852	0.4
408.22861	0.5
415.14920	0.2
416.19672	0.6
419.18732	0.2
420.19135	0.5
426.18521	0.2
428.19873	0.2
430.17517	0.3
431.18341	0.3
432.19345	0.2
433.20184	0.2
434.20728	0.6
435.21387	0.8
436.22357	0.5
444.19073	1.2
448.18045	0.3
448.23077	0.3
454.17340	0.2
458.21381	0.2
462.20078	0.3
463.21060	1.7
472.18713	2.1
476.21921	2.8
486.20032	0.4
504.21298	24.5
505.21362	0.2
508.24368	0.9
510.86380	0.2
518.22382	0.3
536.23907	100.0
537.24603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
53.22286	0.3
55.01837	0.4
55.05483	0.4
55.60800	0.3
56.05003	0.5
61.02900	0.6
62.19389	0.3
65.03923	0.5
65.46356	0.4
67.05469	1.3
68.05002	0.5
69.03387	1.0
69.07034	0.7
70.03753	0.3
70.06596	3.6
70.64235	0.8
71.04966	0.4
72.08128	0.6
73.02903	0.4
79.05466	0.7
80.04953	0.3
81.03377	1.3
81.07045	1.9
82.06556	0.3
83.04944	0.4
84.04514	0.5
84.08147	3.1
85.02912	2.1
86.03213	0.3
86.06041	0.7
86.09663	0.9
87.00806	0.6
87.05551	0.3
91.05437	0.8
93.06995	1.0
94.06526	0.7
95.04919	0.4
95.08567	0.9
97.02844	1.0
97.06507	0.3
97.07236	0.3
98.09628	0.6
99.04433	0.4
103.03933	0.4
103.05453	0.4
105.06989	1.2
106.06507	0.9
106.07242	0.4
107.07336	3.4
107.08540	0.5
108.08140	1.6
108.08746	0.5
109.02845	1.0
109.10174	1.5
119.08571	0.6
120.04474	2.8
120.08125	2.4
121.06454	0.4
121.08829	0.8
121.10133	0.5
122.05985	0.7
122.09666	5.7
127.03871	1.2
129.10168	1.2
130.06479	0.5
131.08498	0.5
132.08090	0.5
133.10121	0.6
134.05997	0.7
134.51788	0.3
135.06760	0.9
135.11624	0.4
136.07568	1.5
136.11188	1.9
145.04961	0.5
145.10011	0.3
146.06003	0.7
147.04454	0.6
147.11641	0.4
148.07492	0.4
150.09152	20.4
152.07018	1.2
158.61577	0.3
159.02835	0.3
159.11694	0.4
160.07603	0.3
164.10709	0.6
165.11516	0.4
166.08655	0.5
166.12280	0.6
176.10709	0.7
180.10237	0.4
192.06578	0.5
194.08083	1.3
196.09927	0.5
197.10750	0.5
203.11739	0.4
204.06557	0.4
208.10088	0.4
209.10730	0.8
211.08623	0.4
211.12212	0.8
212.09323	0.7
213.10391	0.6
221.10686	0.5
223.08636	1.1
223.12299	0.8
224.09381	1.0
225.10216	2.7
226.11021	0.7
227.11752	0.5
229.13284	0.5
233.10754	0.7
235.08691	1.1
236.09457	0.8
237.10237	7.2
238.11066	1.6
239.08080	1.0
239.11790	3.0
240.12477	0.5
241.09662	0.7
247.08757	0.5
248.09282	1.4
249.10246	6.6
250.11047	2.2
251.08205	2.9
251.11839	6.4
252.08972	0.7
252.12521	1.2
253.09732	4.4
253.12503	0.4
253.13153	0.3
254.10439	0.7
255.11220	0.4
257.12817	0.4
261.10284	2.9
262.10989	1.1
263.08212	0.8
263.11798	3.6
264.08936	0.8
265.09735	9.1
265.12924	0.5
266.10617	1.5
267.11316	4.4
267.14255	0.4
267.15323	0.3
268.12115	0.6
269.09192	0.7
269.12842	0.5
269.22766	0.4
270.23053	0.8
271.10745	1.6
271.14490	1.8
276.08801	0.8
277.09720	3.0
278.07184	0.6
278.10504	5.0
279.07709	2.8
279.11279	10.5
280.12115	1.5
281.09180	2.3
281.12808	1.6
282.09946	0.9
283.07916	0.5
283.10822	5.7
283.14032	0.6
285.12259	1.5
287.05505	3.3
288.05865	6.0
289.09717	6.2
290.10715	0.5
291.11270	2.3
293.09232	2.2
293.12820	4.2
294.10001	6.0
295.10709	2.8
295.14209	0.9
296.11609	2.0
297.08881	0.6
297.12268	1.0
298.09549	0.5
299.06491	0.3
299.10175	1.1
301.48895	0.3
303.23166	0.5
306.09814	1.5
307.10718	2.7
308.11411	1.0
309.12286	3.2
311.10242	5.0
311.13898	1.5
312.11008	2.3
313.11850	1.4
314.12650	1.6
317.09030	1.5
321.08655	0.9
321.12305	0.7
321.24142	0.8
323.10278	1.2
323.13876	1.9
324.11044	2.1
325.11813	1.3
326.12640	5.4
327.13412	8.5
335.10272	9.6
337.11868	1.2
339.13400	62.9
340.10587	2.2
352.10577	1.2
354.12115	3.0
355.12891	10.1
360.17014	0.7
367.12903	38.4
370.15295	0.4
371.12384	0.6
374.18741	0.6
383.12137	0.4
386.14923	0.9
387.15448	0.4
399.15640	0.9
404.19858	0.6
416.19690	0.7
420.19217	0.3
428.19995	0.4
431.18613	0.4
435.21512	0.9
444.19104	2.0
445.19916	0.4
458.20840	0.4
463.21054	1.5
472.18704	11.4
476.21881	5.5
481.24835	0.3
504.21320	100.0
505.21634	0.7
509.71191	0.3
518.34711	0.8
522.22443	2.1
536.23810	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	536.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11708	0.2
57.19876	0.2
67.05487	0.1
68.56261	0.1
79.05470	0.3
80.05009	0.2
81.07018	0.3
91.05449	0.2
93.05727	0.2
94.06572	1.0
105.07010	0.5
106.06516	0.5
107.07341	3.2
108.07565	0.2
108.08123	1.8
110.06011	0.2
115.29419	0.1
120.04466	3.0
120.08144	1.0
121.08878	1.0
122.05990	0.5
122.09670	5.2
131.07326	0.2
135.06805	0.9
135.10367	0.3
136.07553	0.7
136.11197	1.5
146.06038	0.9
146.09546	0.2
148.07513	0.7
150.09142	20.5
152.07080	1.1
152.10643	0.2
160.07571	0.3
164.10730	0.3
165.11436	0.6
166.08591	0.6
166.12245	0.8
172.03889	0.2
172.07576	0.2
176.10632	0.5
182.95885	0.2
183.09164	0.3
185.10710	0.3
188.07108	0.2
192.06615	0.3
194.08151	1.4
196.09853	0.3
197.10678	0.7
198.11429	0.3
199.08603	0.2
199.12273	0.2
204.06383	0.2
209.10741	0.6
210.11433	0.3
211.08679	0.3
211.12265	0.9
212.09406	0.6
212.12933	0.2
213.10208	0.5
213.13788	0.2
215.11713	0.2
219.09125	0.2
220.09836	0.3
221.10741	0.5
222.07809	0.5
222.11436	0.3
223.08688	1.0
223.12277	1.3
224.09387	0.9
225.06760	0.2
225.10214	2.6
226.10966	0.5
227.11800	0.5
229.13387	0.6
233.10701	0.6
234.11476	0.3
235.08621	1.2
235.12263	0.4
236.09335	0.9
237.10216	7.0
238.10966	1.3
239.08177	1.1
239.11797	3.8
240.12553	0.3
241.09708	0.7
241.13293	0.4
243.14867	0.2
247.08720	0.3
248.09341	1.4
249.07645	0.2
249.10226	6.1
250.11003	2.3
251.08168	3.2
251.11795	6.5
252.08908	0.5
252.12604	1.3
253.09717	4.8
253.13310	0.4
254.10349	0.5
255.07487	0.2
255.11311	0.8
257.12909	0.2
261.10239	2.8
262.11047	1.0
263.08200	0.5
263.11786	3.6
264.08881	0.6
265.09717	9.2
265.13242	0.5
266.10468	2.0
267.08441	0.3
267.11282	4.4
267.14584	0.4
268.12042	0.6
269.09167	0.6
269.12845	0.8
271.10785	2.0
271.14398	1.8
275.08173	0.3
276.02246	0.2
276.08978	0.4
277.09698	3.0
278.06958	0.4
278.10489	4.1
279.07687	3.5
279.11285	10.1
280.08795	0.3
280.11963	1.8
281.09198	2.2
281.12863	1.7
282.09970	0.8
282.13547	0.2
283.10791	6.1
283.14020	0.4
284.11493	0.3
285.12314	0.9
287.13925	0.3
288.05771	0.2
289.09695	6.1
290.10413	0.7
291.07864	0.2
291.11209	2.1
292.08356	0.3
292.11917	0.3
293.09235	2.2
293.12842	4.9
294.10007	5.7
294.13464	0.4
295.10815	3.0
295.14233	0.5
296.11606	2.0
297.08740	0.5
297.12411	0.9
297.15891	0.3
298.09592	0.4
299.10345	1.3
299.13620	0.3
305.09296	0.4
306.09875	1.2
307.10767	2.6
308.11523	1.1
309.08820	0.4
309.12286	3.0
310.13019	0.4
311.10242	5.2
311.13895	1.7
312.11017	2.3
313.11804	1.8
314.12631	2.0
315.13626	0.3
317.09070	1.1
319.10706	0.3
321.08994	0.3
321.12354	0.7
323.10178	0.7
323.13950	2.0
324.11023	1.7
325.11856	1.2
326.12619	5.0
327.13391	7.0
328.14307	0.4
330.87903	0.2
332.17477	0.3
335.10254	9.5
336.11060	0.4
337.11783	1.2
339.13388	59.4
340.10489	2.1
340.13956	0.3
342.16086	0.3
344.13724	0.2
344.17691	0.4
349.11520	0.2
352.10559	1.2
353.11035	0.5
354.12115	2.7
355.12872	11.1
356.17499	0.2
357.18698	0.3
360.17035	0.6
367.12888	39.2
368.13153	0.4
370.15424	0.2
371.12280	0.4
372.17218	0.2
374.18686	0.3
384.17291	0.3
386.14682	0.4
386.18979	0.2
387.15463	0.3
388.16528	0.3
392.19861	0.3
393.20590	0.3
399.15524	0.9
402.18381	0.2
404.19928	0.4
408.23138	0.2
416.19727	0.4
420.19009	0.4
426.18460	0.3
428.19711	0.4
431.18469	0.3
434.20737	0.4
435.21411	1.0
436.22366	0.3
444.19162	1.7
446.16840	0.2
448.17780	0.2
448.22946	0.3
458.20605	0.2
460.22095	0.2
462.20215	0.2
463.21091	1.7
472.18707	12.2
476.21799	5.8
486.20532	0.5
489.19183	0.2
504.21280	100.0
505.21771	0.6
522.22321	0.6
536.23907	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	536.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01877	1.8
55.05513	6.6
56.05027	1.8
56.98988	0.6
57.03426	1.5
57.98820	0.9
58.99302	0.9
58.99594	14.6
67.05514	5.6
68.05049	1.3
69.03426	2.8
69.07079	1.9
70.02973	0.7
70.06260	1.0
70.06601	10.9
71.04990	2.1
72.08157	2.5
74.00650	2.1
76.02235	83.9
76.04010	3.9
79.05499	6.8
80.05011	1.3
81.03428	21.5
81.07069	8.0
82.06573	0.8
83.04987	7.4
83.06099	1.9
83.08630	9.4
84.04511	22.4
84.08163	5.2
85.02914	2.0
85.04025	3.5
85.06522	0.7
86.06069	1.6
86.09710	4.3
86.99057	3.4
88.02244	1.3
91.05484	8.5
92.01721	1.3
93.07053	5.0
94.06583	0.9
95.04969	7.8
95.08602	2.7
97.01120	1.6
97.02898	1.6
97.06534	0.8
97.10195	1.6
98.09717	1.2
98.21561	1.1
99.08067	0.8
102.05535	0.9
105.07047	6.0
107.04950	2.1
107.08577	2.3
109.06541	1.2
109.10169	0.8
110.07165	1.0
111.04478	1.0
111.08105	3.6
112.03979	0.8
113.03506	1.5
116.01686	22.0
117.07011	0.8
119.04979	0.8
119.08598	4.9
120.08118	2.4
121.10173	2.5
123.08095	1.5
125.09626	0.8
126.46632	0.7
129.06949	3.0
129.10281	2.1
130.05023	15.9
131.04514	2.9
131.08565	2.7
133.06519	1.4
133.10132	2.5
136.07605	1.7
137.07840	0.8
137.09625	0.7
142.03241	8.0
142.07794	1.5
144.01154	12.5
145.06128	1.1
147.07994	1.2
147.11720	3.9
149.09648	2.8
155.08255	1.1
157.10133	5.2
159.11736	1.1
162.02223	40.7
165.12849	0.8
170.02739	4.2
175.11244	4.4
177.03313	12.0
179.04871	84.7
181.06175	0.9
185.03802	1.3
187.05362	2.8
193.12271	18.0
193.13889	1.3
207.13875	0.8
211.13313	32.5
215.04924	3.0
216.03259	1.2
231.04427	1.2
233.05931	20.6
245.05927	3.9
250.12656	1.3
268.13773	1.2
273.57269	0.7
279.13443	1.2
286.14722	1.9
287.05435	3.7
288.05838	7.1
290.08038	2.2
291.06430	1.8
306.07574	1.3
308.09140	100.0
345.14792	0.7
371.16293	1.9
419.05167	0.8
452.11145	0.8
488.80438	0.9
500.13000	0.9
500.21228	1.1
518.21240	3.4
536.22034	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.01872	4.7
55.05513	3.8
56.05039	1.5
57.03445	3.2
57.07086	0.7
60.04527	0.7
61.02933	3.0
65.03936	1.0
67.05508	15.6
68.05027	1.4
68.99796	2.4
69.03433	16.8
69.07069	16.2
70.06597	10.4
70.16138	1.8
71.01345	0.5
71.05000	3.2
71.06936	0.5
71.08634	0.5
72.08154	2.3
73.02917	4.4
79.05493	5.8
81.03423	20.1
81.07062	12.9
83.04975	0.9
83.08617	2.0
84.04501	2.1
84.08150	8.3
85.02907	31.0
85.06535	1.0
85.10238	0.5
86.06084	2.3
86.09717	4.3
87.00832	12.8
87.04473	0.6
91.03960	2.0
91.05476	6.3
93.07046	8.5
95.04955	1.1
95.08611	9.7
97.02899	12.5
97.10170	0.6
98.09684	1.2
99.04462	7.5
103.03922	0.7
103.05504	1.0
105.01871	8.7
105.07032	10.0
107.04957	1.0
107.08598	8.4
108.08952	0.5
109.02882	18.6
109.06516	1.1
109.10162	38.0
110.07190	0.9
111.00836	0.7
111.11728	2.1
112.07597	0.5
112.27985	0.5
115.03922	1.1
115.05459	0.7
117.01857	2.0
117.07050	3.5
119.08584	18.7
120.08118	1.8
121.02907	2.9
121.06487	1.6
121.10154	6.0
123.08130	0.6
123.11700	4.0
125.09631	0.6
127.03924	27.7
128.06230	0.8
129.01833	2.0
129.07034	2.4
129.10233	2.2
130.04970	0.5
130.07820	1.1
131.08572	7.9
133.02895	0.6
133.04900	0.6
133.10139	6.4
134.06065	0.6
135.08041	0.9
135.11682	2.9
136.07578	1.4
137.02359	0.9
137.13263	1.4
141.06931	0.6
142.07773	1.9
143.08571	7.2
144.09351	1.5
145.04967	8.4
145.06287	0.6
145.06471	0.5
145.10132	19.1
147.02884	1.3
147.04407	2.9
147.11711	6.6
149.13266	3.8
153.01828	3.2
155.08556	0.9
156.09358	0.9
157.06516	0.5
157.10133	8.2
158.10895	0.8
159.02908	10.9
159.04129	0.4
159.11690	13.4
161.13254	5.4
163.11201	0.7
163.14827	1.7
165.01868	1.7
169.10106	1.0
170.10802	0.8
171.11678	7.6
173.13269	6.3
175.14835	4.3
183.02925	1.1
183.11650	1.0
185.13284	7.0
186.13968	0.7
187.14789	7.3
189.16432	2.6
191.14328	0.6
191.18149	0.5
192.14804	0.6
197.13295	1.1
199.14828	4.6
200.15587	4.3
201.16371	2.7
211.14832	1.7
213.03835	1.0
213.05637	0.8
213.16385	7.9
215.17946	1.1
224.26212	0.6
226.17126	1.5
227.12810	0.6
227.18042	2.9
231.04924	4.6
241.04944	0.9
241.19568	2.0
258.05194	0.9
267.21155	0.7
269.22650	71.9
271.24237	7.0
285.21948	0.6
287.05502	100.0
287.23663	4.6
288.05951	1.3
312.06464	0.6
315.13467	0.6
340.05844	0.8
373.09085	2.0
517.28680	0.8
535.22528	2.0
535.30267	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	535.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03751	0.4
53.03953	3.3
55.01879	3.5
55.05519	2.9
56.05023	1.1
57.03446	2.2
57.07077	1.1
58.06590	0.4
60.04521	0.5
61.02934	2.0
63.10439	0.4
63.52322	0.4
65.03929	1.0
67.05512	10.0
68.05019	0.9
68.99789	1.5
69.03434	13.5
69.07074	8.7
70.02921	0.5
70.06593	7.2
71.01351	0.7
71.05000	2.5
71.51936	0.6
71.86995	0.4
72.08144	1.4
73.02929	3.5
74.06088	0.7
79.05492	3.6
81.03427	15.5
81.07064	8.6
83.01335	0.5
83.04971	0.6
83.08611	1.4
84.04504	1.7
84.08152	6.2
84.21161	0.4
85.02913	22.8
86.06055	1.6
86.09721	3.3
87.00836	8.8
88.03963	0.4
91.03947	1.3
91.05474	4.3
93.07043	3.8
94.06509	0.4
95.04955	1.0
95.08602	6.2
96.08087	0.6
97.02300	0.7
97.02902	9.7
97.06556	0.4
98.09675	0.7
99.04468	5.4
102.05579	0.5
103.05426	0.5
103.94562	0.4
105.01875	4.7
105.07036	6.8
107.04990	0.8
107.08591	5.6
108.08177	0.4
109.02889	13.5
109.06548	0.8
109.10162	22.9
110.06008	0.5
110.07161	0.9
111.00818	0.6
111.08086	0.9
111.11736	0.9
112.07581	0.5
112.08766	0.5
112.93037	0.4
115.03872	0.4
115.05466	0.4
117.01871	2.4
117.07004	1.6
119.04958	0.6
119.08596	9.9
120.08093	1.8
121.02874	1.7
121.06503	1.1
121.10149	4.0
123.08054	0.6
123.10910	0.4
123.11709	2.6
127.03928	19.2
128.06230	0.9
129.01819	1.4
129.06982	1.7
129.10229	2.5
131.08589	4.2
133.10144	3.7
135.04428	0.5
135.08054	0.5
135.11676	1.7
136.07562	1.5
137.02321	0.9
137.13264	0.5
140.06969	0.6
141.07013	0.5
142.07787	0.9
143.08562	4.3
144.09354	0.9
145.04982	6.0
145.06104	0.7
145.10133	10.7
147.02911	1.2
147.04420	1.2
147.11679	3.8
148.07657	0.5
149.13260	1.6
150.09052	0.6
153.01845	3.5
155.08426	0.7
155.54237	0.4
157.06497	0.9
157.10130	5.8
159.02896	8.8
159.11708	7.1
161.13301	2.9
163.11263	0.4
163.14902	0.7
165.01851	1.8
169.10080	0.5
169.45938	0.4
171.11726	4.0
172.17076	0.4
173.13274	3.2
175.14879	2.6
183.02908	1.2
185.13268	4.0
187.14848	4.0
189.16396	2.1
199.14821	3.1
200.15601	1.7
201.16440	2.5
213.03821	0.8
213.05588	0.9
213.16342	4.2
215.18027	0.6
226.17151	0.7
227.17950	1.4
231.04887	2.8
241.05049	0.6
241.19501	1.2
258.05206	1.1
269.22662	44.7
271.24283	4.1
287.05518	100.0
287.23575	2.2
288.05933	1.8
299.05374	0.5
373.09357	1.1
409.47638	0.4
453.28125	0.5
494.23053	0.5
500.21844	0.6
535.21765	0.5
535.29797	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	535.1084
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03936	1.4
55.01866	1.3
57.03428	0.9
63.03013	0.3
68.99789	1.2
69.03437	4.1
69.48162	2.4
73.02910	0.8
81.03419	5.8
85.02907	9.4
86.09696	0.6
87.00835	3.9
87.04459	0.4
95.93546	0.3
96.53369	0.4
97.02898	4.2
98.21523	0.4
99.04488	2.1
105.01876	2.8
109.02884	4.8
111.00848	0.5
117.01848	0.8
121.02870	1.6
127.03920	8.4
129.01895	0.5
142.65546	0.3
145.04968	3.1
145.06123	0.4
145.06459	0.3
147.02861	0.4
147.04431	0.6
153.01808	2.1
157.06453	0.6
159.02916	3.5
161.06023	0.4
165.01848	1.2
183.03009	0.6
213.05542	0.8
225.79825	0.4
231.04964	1.3
241.04819	0.6
258.05292	0.9
287.05505	100.0
288.05817	0.5
391.86880	0.4
412.04089	0.4
431.84003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76820	0.2
53.03947	1.4
55.01862	0.7
57.03445	0.9
59.04989	0.2
60.59696	0.2
61.02930	1.0
68.99794	0.8
69.03434	5.6
69.36507	0.5
69.36932	1.0
70.06579	0.3
71.01351	0.2
71.04994	1.1
72.08130	0.4
73.02904	0.5
81.03422	4.7
83.01337	0.3
84.08147	0.2
85.02909	6.5
86.06050	0.2
86.09714	0.5
87.00836	3.0
87.04470	0.5
87.92059	0.2
88.04007	0.2
91.03940	0.2
97.02898	10.5
98.20800	0.4
99.04456	2.1
101.26984	0.2
103.05497	0.2
104.05288	0.2
105.01865	0.8
107.04945	0.3
109.02888	3.0
111.00848	0.8
117.01888	0.2
120.08118	1.9
121.02860	2.4
122.11320	0.2
127.03920	5.1
129.01784	0.2
133.02864	0.5
134.33705	0.2
137.02342	0.5
140.14345	0.2
145.04961	5.2
147.04401	1.4
153.01833	3.1
157.06519	0.3
159.02884	1.3
161.05992	0.3
165.01833	1.8
171.04378	0.3
174.05832	0.2
183.02907	0.7
185.06030	0.2
213.05504	1.2
225.48764	0.2
231.04715	0.4
231.06575	0.6
241.04927	0.8
258.05280	1.0
259.06033	0.3
286.04776	0.2
287.05508	100.0
288.05887	0.4
289.08551	0.4
297.38300	0.2
305.47125	0.2
395.07806	0.2
469.81259	0.2
474.77460	0.2
509.99890	0.2
536.24774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.5
58.19789	1.8
67.05503	13.9
69.03430	3.0
69.07076	10.1
71.04980	10.3
71.52381	3.1
79.05491	10.2
81.07060	18.8
83.08628	6.1
85.06534	2.1
91.05484	8.8
93.07050	18.8
95.08604	27.6
97.06523	4.5
97.10169	3.7
99.04493	2.2
99.08110	8.7
105.07040	15.3
107.08598	27.4
109.10149	18.9
111.08142	3.0
117.06996	3.0
119.08580	18.0
121.10147	25.3
123.08069	5.4
123.11713	13.8
125.09654	3.3
127.07557	8.8
127.11227	6.5
131.08566	5.5
133.10135	16.8
134.10582	2.0
135.11710	22.0
139.11201	2.1
143.08597	1.9
145.10135	10.4
147.11722	12.6
149.09570	3.4
149.13222	15.0
153.12732	3.7
155.08479	2.5
155.10660	3.9
157.10100	4.0
159.11734	11.6
161.13293	8.9
163.11131	2.7
163.14844	4.8
167.14296	1.9
171.11766	3.2
173.13264	7.3
175.14813	9.2
177.12872	2.3
177.16457	3.9
181.12407	2.4
185.13287	3.5
187.14874	7.4
189.16431	8.3
191.17929	22.6
199.14900	4.0
201.16394	4.8
203.17856	3.0
213.16402	4.8
217.19476	2.6
225.16277	2.4
231.17416	2.5
235.16945	2.8
249.18506	3.4
262.25314	2.9
287.05551	4.3
317.24908	2.3
335.27060	2.3
380.51474	2.2
421.34857	10.2
424.32739	2.5
439.35800	27.3
457.36890	21.4
499.37869	100.0
516.37390	9.8
517.38824	2.7
534.38849	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01873	2.9
55.05516	20.6
57.03430	5.6
57.07084	11.1
57.92728	1.5
61.02919	5.7
62.91218	1.3
63.31046	1.3
63.55165	1.3
64.30468	1.2
65.03937	2.5
67.05506	78.1
69.03420	4.4
69.06734	2.4
69.07072	28.6
69.73727	7.6
71.04998	1.4
71.08643	8.3
73.02917	2.3
79.05497	27.0
81.07059	100.0
83.04965	3.4
83.08617	20.4
85.02905	7.5
85.06528	2.7
85.10173	4.2
86.12872	1.5
87.04447	1.4
89.06025	3.1
91.03955	3.2
91.05480	18.2
93.07048	26.4
95.08611	84.0
97.02845	2.4
97.05985	1.6
97.06541	6.4
97.10196	13.4
99.08096	5.0
105.07044	14.3
107.08604	19.3
109.06507	3.2
109.10165	40.6
111.08115	5.1
111.11720	3.8
113.09617	1.9
119.08583	13.6
121.10146	25.9
123.08073	13.6
123.11711	23.1
125.13303	1.6
127.11203	1.4
128.06638	1.4
133.08621	1.8
133.10135	18.8
135.08192	1.6
135.11713	16.2
137.09628	4.4
137.13287	7.8
141.12729	3.6
147.11681	12.5
149.13290	10.5
151.14830	6.4
155.14346	4.0
161.13272	15.7
163.14818	9.6
165.12740	1.8
165.16376	8.6
175.14816	12.7
177.16353	3.2
179.14317	33.4
179.17868	7.3
181.15788	1.8
189.16356	3.6
193.15878	2.5
203.17935	1.4
227.20078	10.3
245.22659	69.8
263.23709	96.3
265.25253	1.9
275.20041	2.6
281.24530	1.6
287.05481	5.1
337.27374	43.8
355.28488	5.6
367.24615	2.8
371.25732	2.0
423.31006	11.1
424.31946	2.1
442.29449	3.5
526.13983	1.9
534.34192	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66257	0.1
51.02371	0.2
53.03949	1.4
55.01625	0.2
55.01876	1.9
55.05512	0.3
56.05024	0.3
57.03448	1.3
61.02937	1.1
62.12847	0.1
65.03948	0.1
67.05508	0.2
68.99799	1.4
69.03436	6.5
69.06727	0.1
69.07076	1.5
70.06604	1.3
70.97324	0.1
71.01347	0.2
71.05007	1.1
71.51347	0.1
71.51733	0.1
72.08160	0.2
73.02924	1.8
79.05492	0.3
81.03426	8.4
81.07059	0.3
83.01349	0.2
83.04991	0.2
84.04501	0.2
84.08166	0.6
85.02913	11.1
86.09713	35.8
87.00838	5.3
87.01267	0.1
87.10005	0.1
91.03965	0.6
91.05469	0.4
93.07066	0.3
95.04955	0.1
95.08610	0.3
97.02898	3.9
97.06516	0.1
98.09700	0.3
99.00835	0.1
99.04462	2.7
101.02386	0.1
103.03960	0.4
103.05464	0.3
105.01881	2.5
105.03394	0.3
105.07004	0.2
107.04964	0.5
107.08631	0.5
108.08947	0.3
109.02888	6.6
109.06586	0.1
109.10191	0.2
110.07182	0.2
110.43096	0.1
111.00803	0.7
112.11283	0.2
115.03934	0.3
115.08708	2.8
117.01868	1.1
117.07044	0.1
119.08558	0.2
120.08114	6.1
121.02872	2.7
121.03901	0.1
121.10156	0.3
122.10473	0.1
125.09657	0.3
127.03928	8.8
129.01842	0.8
129.06992	0.1
129.10242	0.1
131.04945	0.3
133.02869	0.6
133.10144	0.2
135.04424	0.2
135.07977	0.1
136.07550	0.2
137.02353	0.7
140.14381	0.2
141.07002	0.1
143.08170	2.8
145.04982	2.7
145.06250	0.2
145.06517	0.2
147.02885	0.5
147.04427	0.7
149.06030	0.2
151.11195	0.2
153.00580	0.2
153.01839	3.8
157.06503	0.4
157.13358	1.1
159.02907	4.3
161.05995	0.2
163.05994	0.2
164.15160	0.2
165.01831	2.2
166.08656	7.3
171.03073	0.1
171.04427	0.3
173.13113	0.1
175.03947	0.1
183.02908	0.9
185.06006	0.6
185.12871	1.4
189.05391	0.1
191.11816	0.1
191.14325	0.4
192.14682	0.4
197.05989	0.2
199.18077	8.7
203.03438	0.3
203.07101	0.1
209.15353	0.4
210.15735	0.4
211.14471	0.1
213.03839	0.2
213.05516	1.3
225.19670	0.2
227.17648	9.5
228.16800	1.4
231.04678	0.9
231.06654	0.4
237.12358	1.7
241.04951	0.9
245.04552	0.1
253.19067	0.3
254.57454	0.1
256.16553	1.4
258.05252	1.2
259.05963	0.6
269.04428	0.3
285.03589	0.1
286.04602	0.3
287.05515	100.0
290.15134	0.2
298.21286	6.9
308.16049	2.4
324.22531	0.2
329.06537	0.3
341.25497	1.4
353.06503	0.1
369.25024	2.8
370.60184	0.1
370.70837	0.1
387.26370	0.1
395.07648	0.2
403.23260	0.3
421.24365	0.3
482.20871	0.1
488.32651	0.1
515.06903	0.1
534.25391	0.1
534.33331	0.8
535.21558	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	533.296
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
53.03938	3.6
55.01866	3.1
55.05516	20.9
55.05746	4.0
55.99093	3.2
57.03449	15.0
57.07075	7.5
58.21646	2.8
58.69847	2.8
59.04990	3.5
60.54902	2.9
61.02914	9.9
67.05499	13.2
69.03426	51.2
69.07067	13.7
69.57267	19.1
70.06609	15.3
71.04988	32.9
73.02897	3.6
73.06535	3.7
79.05506	20.0
81.03418	7.2
81.07063	60.4
82.22845	3.5
83.04984	5.3
83.08605	12.5
84.08116	5.5
85.02911	46.8
85.06535	8.8
86.09717	4.6
87.04458	23.7
91.03959	4.9
91.05463	15.8
93.07050	49.2
95.04970	8.5
95.08607	34.1
97.02901	34.6
97.06528	33.3
97.10166	11.5
98.09708	4.1
99.04424	3.6
99.08097	4.7
105.07039	26.5
107.08593	68.3
109.02850	4.4
109.06512	4.4
109.10148	38.6
111.04453	4.9
111.08051	4.5
115.03914	29.7
119.08580	31.7
121.06479	5.9
121.10146	27.6
123.04448	2.9
123.08034	4.3
123.11714	31.9
125.09645	34.6
127.03917	5.8
127.11178	16.7
129.06938	3.5
129.10239	4.1
130.88712	3.0
131.08569	10.0
132.85527	2.6
133.04970	38.5
133.10141	34.9
135.08081	4.0
135.11705	71.4
136.07648	3.0
137.09618	5.0
137.13252	9.7
139.03893	3.5
143.08543	8.3
143.10675	100.0
145.04993	5.0
145.10146	12.2
147.11684	21.8
149.13258	22.1
151.11140	4.2
153.12781	4.0
156.09421	4.2
157.10118	8.2
159.11673	17.5
161.09654	4.5
161.13272	20.3
163.06018	3.4
163.14822	8.5
169.12181	3.6
170.14598	3.6
171.11707	3.9
173.09523	3.3
173.13252	6.9
175.14828	6.4
177.12712	3.6
179.05539	4.0
183.11688	7.5
185.13208	4.9
187.09625	19.0
189.16348	8.4
195.11662	4.1
201.12738	4.6
201.16278	5.5
203.14143	3.2
203.17958	30.8
205.19469	11.4
215.17902	3.7
221.18997	39.3
223.20511	7.0
233.18878	4.6
245.19087	8.6
263.20132	3.9
287.05417	6.5
287.14941	3.4
287.20078	3.1
299.20023	9.6
305.21320	4.3
317.21130	6.5
329.20920	4.1
335.22147	5.2
347.22205	3.4
353.23160	12.0
365.22934	3.0
383.24374	6.1
412.25705	3.2
533.28723	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	533.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
53.58818	1.3
55.01874	2.0
55.05511	5.5
56.05033	3.5
57.03435	5.0
58.06616	1.6
61.02930	4.8
67.05520	8.1
68.05032	5.1
68.95756	1.5
69.03442	19.4
69.07072	8.9
70.06256	2.6
70.06606	32.1
71.05008	7.7
71.51672	1.6
72.08163	6.9
73.02916	5.8
79.05505	6.2
80.47475	1.5
81.03428	19.5
81.07069	14.6
83.04987	5.2
83.06129	1.3
83.08609	2.5
84.04507	6.0
84.08159	17.2
85.02917	73.2
85.06555	3.2
86.06069	8.6
86.09714	11.2
87.01023	1.6
87.04476	3.2
87.05627	1.6
91.03973	2.6
91.05502	8.4
93.07071	13.2
95.04987	4.2
95.08619	11.7
97.02910	25.8
97.06540	3.9
98.09706	12.5
99.04473	42.4
99.10021	2.4
102.05540	1.7
103.03954	87.5
105.07056	9.5
107.04988	2.6
107.08607	33.6
109.02891	21.7
109.06518	6.5
109.10175	7.3
110.06030	1.9
110.07167	4.8
110.09587	1.8
111.08082	2.5
113.07131	1.8
115.03932	3.4
117.07021	2.7
119.08616	7.9
120.08123	6.0
121.02987	1.7
121.06533	7.0
121.10158	10.3
123.08089	3.7
123.11696	6.0
125.09637	3.9
127.03938	100.0
129.10303	8.1
131.04962	1.9
131.08575	4.7
133.10139	8.8
135.08035	4.7
135.11719	9.3
136.07593	6.6
137.06042	1.6
140.14323	4.4
141.14771	2.5
143.08566	2.6
145.04976	59.7
145.10144	5.1
147.04457	4.4
147.11700	7.4
149.09602	3.8
149.13303	6.0
151.11212	5.7
159.11729	2.1
161.09714	1.9
161.13326	1.7
163.06041	51.5
163.07367	1.8
163.14842	13.6
169.05074	2.4
173.13280	15.7
175.14894	2.1
179.14310	5.9
187.05994	5.2
191.14334	33.9
205.07124	6.6
209.15401	44.2
211.14804	1.7
211.88042	1.6
221.19089	1.9
227.16409	10.1
253.07056	2.0
267.21103	1.7
271.08191	9.4
287.05551	26.8
289.09229	8.7
305.24677	2.8
307.10260	18.5
371.20694	4.0
395.20828	3.5
460.92227	1.7
479.22873	4.2
506.26004	2.9
515.24316	3.0
518.23065	1.6
532.78125	6.5
533.25861	6.4
540.13654	2.2
558.56995	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1657
Annotation	Luteolin 7-[6''-(2-methylbutyryl)glucoside]
Peak:m/z	Relative Intensity
53.03932	0.4
55.01865	0.2
55.05510	0.2
56.05022	0.3
57.03429	0.3
57.07077	5.5
61.02922	0.2
65.03929	0.2
67.05487	0.4
68.05019	0.2
68.99795	0.6
69.03426	1.5
69.07054	0.2
70.06596	1.6
71.01368	0.1
71.04990	0.3
71.36088	0.3
72.08158	0.2
72.93936	0.1
73.02903	0.1
74.06065	0.1
79.05486	0.5
81.03423	2.4
81.07052	0.4
83.04970	0.2
84.04489	0.4
84.08151	1.1
85.02905	1.5
85.06541	1.3
86.06059	0.5
86.09694	0.3
88.29401	0.1
89.30570	0.1
91.03960	0.2
91.05485	0.5
93.07030	0.4
94.06611	0.1
95.04986	0.3
95.08593	0.3
97.02885	1.9
98.09676	0.5
99.04447	0.4
103.07585	0.3
105.03401	0.4
105.07034	0.3
107.04946	0.4
107.08569	0.4
109.02883	1.7
109.10181	0.2
110.07147	0.4
111.00813	0.8
112.08691	0.2
112.28339	0.1
119.04942	0.2
119.08583	0.3
120.04475	0.1
120.08078	0.3
121.02869	4.3
121.06518	0.2
121.10144	0.2
123.38567	0.1
127.03922	3.0
129.07013	0.1
129.10249	0.3
131.08595	0.2
133.02832	0.5
133.10117	0.2
135.04424	0.2
136.07558	0.4
137.02356	1.0
140.14365	0.2
140.22565	0.1
143.08528	0.2
145.04968	1.1
145.06522	0.3
145.10101	0.3
147.04401	1.1
147.11684	0.2
151.11029	0.1
153.01837	3.6
157.06470	0.4
157.10115	0.2
161.05942	0.2
165.01851	1.8
171.02936	0.2
171.04347	0.3
183.02885	0.9
185.05957	0.5
197.05981	0.3
201.05569	0.2
203.07074	0.2
213.05475	1.3
214.09129	0.1
229.10707	4.0
231.06511	0.6
241.04926	1.0
245.04289	0.2
247.11797	0.4
258.05273	1.0
259.06006	0.6
267.21008	0.2
269.04465	0.3
287.05499	100.0
288.05899	0.6
506.24869	0.2
515.23987	0.2
521.84875	0.2
532.77661	0.3
533.16315	0.2
533.23517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
53.42849	1.0
55.01884	1.2
55.05512	11.4
56.05035	2.4
57.03440	2.8
57.07083	1.5
60.04526	1.1
61.02925	2.9
65.03931	1.1
67.05508	25.1
68.05020	3.1
69.03432	8.5
69.07070	12.6
70.06598	16.3
71.04978	1.5
71.51838	1.0
71.52268	1.3
72.08144	1.2
73.02902	3.3
74.06072	1.3
79.05492	10.6
81.03417	2.1
81.07058	30.7
83.08615	3.3
84.04488	2.0
84.08159	10.8
85.02908	13.3
85.08501	1.1
86.06098	5.0
86.09703	1.9
87.04470	4.4
88.03970	1.4
91.05483	20.7
93.06487	2.1
93.07049	30.8
95.04980	2.7
95.08613	58.9
96.08118	1.4
97.02896	8.2
97.10190	2.9
98.09699	20.1
99.10036	3.0
99.98993	1.0
101.96243	1.0
103.05457	1.8
104.27838	1.2
105.07035	82.0
107.08592	28.4
109.06530	1.9
109.10162	45.1
110.07169	3.0
114.41483	1.2
114.84263	1.3
115.03948	7.4
117.07047	4.0
118.88237	0.9
119.08585	100.0
120.08140	1.1
121.06524	2.0
121.10147	14.6
123.04324	1.0
123.11708	14.1
127.03945	3.6
129.06850	0.9
129.10271	1.6
131.08560	2.3
133.04968	7.4
133.10136	35.1
135.11705	8.0
135.44243	1.0
136.07610	2.6
140.14346	10.4
141.14740	2.1
145.04976	3.1
145.10127	3.3
147.04413	3.3
147.11700	40.3
150.07628	1.7
159.11717	2.1
161.13263	57.7
174.09041	1.1
175.14810	13.5
203.17963	39.5
205.05727	1.2
228.74564	1.1
259.08151	1.3
263.50531	1.2
295.10294	1.6
377.21637	1.8
377.71982	1.8
396.30331	1.0
454.38638	1.1
486.36026	1.7
531.77820	10.7
532.27795	6.5
532.35107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77427	0.5
53.03938	1.2
55.01870	0.8
55.05503	1.1
57.03437	1.3
57.07062	1.0
57.21358	0.4
59.04996	0.6
61.02915	1.2
63.00254	0.5
65.03937	0.8
66.42321	0.5
67.05511	3.6
68.05026	1.3
69.03150	0.5
69.03439	5.9
69.07061	1.2
70.06590	5.0
71.04997	4.2
71.27267	1.0
72.08136	0.6
73.02900	1.0
79.05484	2.2
81.03414	4.0
81.07050	3.2
83.04971	1.1
84.04493	0.9
84.08163	3.8
85.02911	16.4
85.06526	2.2
86.06071	1.7
86.09706	1.9
87.04437	0.6
88.08440	0.5
88.79047	0.5
91.05489	4.8
93.07035	2.7
95.04973	2.7
95.08605	3.2
97.02893	6.6
97.06538	2.9
98.06059	1.1
98.09698	7.8
99.03851	0.8
99.04460	10.5
99.10011	1.1
102.05526	0.7
103.03953	18.7
105.07030	10.1
107.08601	4.4
109.02886	4.1
109.06522	40.0
109.10161	10.7
110.07129	0.7
111.08079	1.2
113.07144	0.6
115.03898	0.6
117.07050	1.2
119.05003	0.6
119.08587	3.3
120.08115	1.3
121.06493	1.6
121.10176	2.9
123.08092	5.3
123.11765	0.6
123.88136	0.5
127.02977	0.9
127.03922	18.0
128.99861	0.7
129.07027	0.5
129.10226	0.6
131.08577	16.1
133.10139	52.9
135.08067	18.0
136.07590	0.8
139.11157	1.1
140.14351	3.6
141.14732	0.6
143.08571	1.2
145.04967	9.9
145.10091	4.0
147.04408	1.2
147.11674	2.9
149.09633	2.8
149.13249	2.2
153.09125	1.6
158.10883	2.7
163.06030	6.4
163.14952	0.7
168.66696	0.5
173.13274	34.0
175.14925	0.6
187.06033	0.9
191.14317	100.0
205.07129	0.9
209.15387	36.3
218.18069	0.6
244.76170	0.6
248.07509	0.5
271.08133	1.2
287.05353	2.6
289.09286	0.6
307.10300	1.5
377.71918	0.8
458.74310	0.5
505.85883	0.6
531.77417	3.4
532.27209	2.0
557.56653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01872	3.9
56.05035	5.6
56.96554	0.6
57.03438	6.0
58.06596	2.8
59.04998	0.7
60.04527	2.9
60.05656	2.4
61.02919	1.5
67.05486	1.0
68.05030	17.0
68.99785	1.4
69.03426	5.9
69.04564	0.4
69.05398	0.5
69.05801	1.2
69.92207	1.1
69.92596	1.1
70.02940	0.9
70.06590	9.9
71.01363	2.6
71.04976	0.8
73.02918	4.7
74.06081	3.1
79.05451	0.8
80.04997	0.8
81.03407	2.5
82.06567	1.8
83.04967	0.6
83.06100	0.6
84.04494	1.8
84.08143	23.3
85.02909	8.7
85.07651	2.9
85.08443	1.1
86.06066	33.4
86.09694	1.2
87.04476	0.8
87.05579	1.1
87.06407	1.3
91.05492	2.7
94.06572	1.1
95.06103	1.1
96.04478	1.7
96.08140	0.6
97.02894	5.0
97.07639	1.1
98.06088	0.8
98.07165	1.9
98.09670	0.7
98.97580	1.3
100.07625	0.8
101.07155	0.6
103.03935	0.9
103.05454	0.8
106.06547	2.2
107.04938	0.9
108.04522	0.6
109.02887	1.0
110.06023	0.7
110.07156	4.0
110.09673	2.1
111.00833	1.4
111.04472	1.1
111.09208	0.7
112.07569	0.8
112.08736	2.4
113.07127	3.5
114.05524	2.1
114.06642	1.4
115.03941	3.7
119.04933	1.3
121.06496	2.0
122.06039	4.3
122.06908	0.8
123.04433	4.1
123.05289	0.6
123.09212	0.7
124.07565	0.6
125.07149	0.6
126.09161	1.0
127.03925	2.7
127.04826	0.5
127.08693	1.0
127.09766	1.1
128.07155	0.5
128.98598	0.5
129.06978	1.1
129.10223	3.8
133.04990	3.6
134.06021	10.1
135.04420	1.9
135.06767	1.9
136.03838	0.4
136.07594	9.4
137.02336	1.3
137.07036	1.0
138.05701	0.5
138.06606	3.0
138.09071	0.4
139.03896	10.8
139.04921	0.9
139.08649	0.9
139.12300	0.5
140.08113	0.7
140.10683	0.9
141.06929	0.7
142.04964	0.7
143.08189	0.6
145.06372	0.4
147.04417	2.7
147.05426	0.5
148.07567	0.7
149.05969	1.0
151.03914	1.3
153.06932	1.4
155.08144	1.5
155.09309	1.1
156.07719	0.5
157.04961	0.9
157.06328	1.0
159.04424	0.7
159.08038	0.6
161.05954	1.3
162.05424	0.6
163.03923	6.2
164.08226	0.5
165.01796	0.5
165.05418	1.1
165.06639	0.6
167.08186	1.0
169.06430	1.3
171.07938	0.8
173.05984	3.9
174.09166	1.1
175.07567	5.2
175.11894	0.5
179.03426	0.5
179.11729	0.5
181.06482	1.9
182.09235	0.6
183.04419	0.5
183.07712	1.5
186.09198	0.6
187.07552	1.7
187.10771	2.1
189.05510	0.8
191.09444	3.1
192.10133	1.1
194.09474	1.4
195.07919	1.0
197.05919	2.2
198.09070	0.6
199.07571	2.0
201.05501	1.6
202.08598	1.4
203.07004	4.9
204.10240	1.0
205.13380	0.6
207.11259	0.7
209.10414	2.5
211.07539	0.5
213.09145	0.7
214.08702	0.7
215.07027	3.4
216.10172	2.6
218.08002	0.8
219.01779	1.1
220.09641	1.5
222.09091	1.9
223.07442	0.6
223.57382	0.6
225.05525	0.5
225.09135	0.5
226.08614	1.5
226.12955	0.8
227.07022	1.5
228.10069	0.6
231.08720	0.7
232.09700	2.3
235.07782	0.6
237.02837	1.2
239.06911	0.5
239.13287	0.6
240.10188	3.3
241.08775	0.7
241.11020	1.2
242.11708	0.7
243.06549	4.2
244.09695	23.8
245.10497	5.4
245.12717	0.8
247.08331	1.2
248.09247	0.6
248.13921	0.7
251.06935	1.1
253.08632	0.5
257.08160	0.8
258.11337	1.1
263.07101	1.2
268.09671	4.8
269.08087	7.0
281.08072	1.0
282.11285	1.6
287.05484	0.7
296.90195	0.6
299.09293	1.0
307.09744	0.5
309.07730	2.2
310.10809	7.3
311.09079	0.9
317.08173	0.5
323.09332	0.6
325.10687	0.8
327.08569	8.0
335.09021	0.9
341.10205	1.4
352.11798	47.4
353.10175	4.4
370.12842	100.0
371.12689	0.7
387.51950	3.9
387.68298	0.7
387.85266	1.7
389.21198	0.8
389.54410	0.9
392.54062	0.9
398.54370	0.9
409.73624	1.2
410.23871	0.5
422.22076	0.8
422.89767	0.7
424.54935	0.7
426.22284	1.4
431.53256	0.9
432.23398	0.7
435.22690	0.6
440.57248	2.2
440.89807	1.1
441.23526	1.3
446.57550	2.3
447.23856	0.6
447.57901	0.7
449.90042	3.0
450.23834	0.9
455.90582	3.2
456.23981	2.1
462.57550	0.6
484.25281	0.6
493.59100	0.6
494.25940	0.7
497.04706	0.8
499.85501	0.7
502.25220	2.8
502.45215	1.9
505.25021	0.6
505.46344	0.9
505.66147	1.0
505.85431	3.7
506.05399	2.9
506.25714	1.1
507.43964	0.5
510.85229	0.8
514.16980	1.7
514.45477	0.7
517.85382	0.5
518.05225	0.5
521.45599	1.6
521.65717	2.3
521.85449	1.3
522.05988	0.6
523.28314	0.8
523.78003	0.6
523.86011	0.6
524.25189	3.2
524.75757	1.1
528.85846	1.2
531.76898	3.2
532.18488	2.7
532.27075	2.7
532.46167	1.8
532.66382	1.5
537.06732	0.5
558.28552	0.7
558.66492	0.7
558.87152	0.6
559.28369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44573	0.4
53.00338	0.5
53.03953	2.6
53.73565	0.5
55.01869	2.6
55.05515	18.5
57.03443	4.2
57.07085	4.7
60.66407	0.5
61.40352	0.5
65.03955	2.6
67.05509	71.2
69.03438	0.5
69.07075	18.3
70.66032	0.8
70.66367	1.0
71.05000	3.1
71.08633	2.9
73.02944	0.6
77.03931	0.9
79.05500	31.7
81.03418	2.0
81.07063	75.8
82.07379	0.8
83.04990	5.2
83.08626	11.5
83.09119	0.8
85.06573	2.6
85.10188	0.9
87.04465	0.9
89.58615	0.4
91.05488	23.7
92.46095	0.5
93.07050	37.5
95.04980	4.4
95.08614	41.3
96.08932	0.8
97.06534	6.4
97.10173	3.9
99.08105	1.9
105.00099	1.4
105.04523	1.5
105.07038	12.9
107.05019	0.8
107.08605	18.8
109.06534	2.0
109.10169	11.4
111.08094	3.7
113.09660	0.8
113.90642	0.5
115.05465	0.7
117.07026	6.5
119.08582	9.4
121.06538	1.3
121.10150	12.2
123.08080	1.3
123.11700	6.6
125.09628	0.9
129.07022	1.7
131.08575	7.7
133.10135	9.2
135.08096	1.2
135.11696	7.0
137.09593	0.5
137.13252	2.7
139.11163	0.8
143.08572	1.8
145.10141	2.5
147.11697	4.6
148.66649	0.5
149.09625	0.6
149.13277	14.2
151.14923	1.0
153.12791	1.0
155.08606	0.7
157.10175	1.0
159.11702	7.4
161.13295	2.9
163.14841	2.2
165.12732	0.9
165.16475	0.6
167.14368	0.7
169.10190	0.6
171.11736	1.1
173.13268	1.0
175.14833	2.9
177.12787	2.9
177.16435	0.7
183.11620	0.6
185.13342	1.0
187.14868	0.8
189.16357	1.4
195.13802	7.5
197.13394	0.8
199.14868	1.0
201.16454	0.8
203.18015	0.9
205.15892	0.6
206.08571	0.5
207.17476	0.6
211.14783	0.5
213.14830	0.6
215.14320	0.6
225.16420	0.9
233.15466	0.8
233.57076	0.5
245.22783	1.4
251.16396	0.9
257.17374	3.6
258.17828	3.0
263.23694	5.5
269.17505	0.6
313.27539	1.5
314.27829	3.1
319.26413	1.1
337.27634	0.7
345.28201	0.5
421.34497	1.4
439.35669	2.5
457.36829	1.8
475.37930	1.4
492.61926	0.6
496.40848	4.8
513.39441	2.0
531.40479	100.0
532.40729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.8
55.01870	2.3
55.05514	14.2
57.03432	3.0
57.07073	4.2
58.74480	0.7
59.97912	0.7
61.27048	0.7
65.03935	3.3
67.05509	67.7
69.07070	18.5
69.86008	0.8
70.69007	2.2
71.04998	2.2
71.08616	1.5
73.02905	1.0
78.40942	0.8
79.05498	27.6
79.81923	0.7
81.03421	0.9
81.07062	73.8
83.04997	3.7
83.08160	0.9
83.08631	11.7
85.06553	2.2
85.10207	1.0
87.04472	2.8
91.05488	20.6
93.07049	39.7
95.04976	2.8
95.08611	40.5
97.06532	4.6
97.10189	2.7
99.08102	3.1
105.00071	1.7
105.04513	1.1
105.07036	11.6
105.07700	1.1
107.08606	22.4
109.06527	1.3
109.10151	10.6
111.08067	3.6
111.11720	1.2
113.09646	1.3
117.07029	5.0
119.08568	7.7
121.06477	1.0
121.10156	12.3
123.08090	1.1
123.11713	6.9
125.09579	1.4
131.08597	8.0
133.10144	10.7
135.08118	1.4
135.11681	6.6
137.09650	0.9
137.13281	2.3
139.11148	0.9
143.08609	1.2
145.10155	3.8
147.11719	4.0
149.09694	1.0
149.13274	13.6
155.00256	0.7
159.11700	6.6
161.13304	3.0
163.14851	2.4
165.12628	0.8
173.13371	1.2
175.14861	2.3
177.12770	3.0
177.16284	1.0
187.14836	0.8
189.16461	1.2
195.13821	7.4
213.14795	1.3
215.18037	1.0
245.22794	1.3
259.90836	0.8
263.23813	5.0
386.32712	0.7
387.41003	0.7
421.34219	0.9
439.35709	3.3
457.36429	1.6
475.38004	1.0
513.39441	2.9
531.40472	100.0
532.40784	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01859	4.2
55.05514	12.2
57.03426	2.1
57.07058	3.4
65.03929	4.2
67.05508	64.5
69.03424	2.7
69.07069	16.3
69.17500	9.5
69.17912	2.3
70.71539	1.2
71.04981	5.5
72.24261	1.1
79.05494	37.2
81.03408	2.2
81.07062	57.4
82.07382	1.3
83.05001	7.1
83.08604	4.7
85.06542	5.4
85.10169	1.2
87.04472	9.7
87.65282	1.2
91.05488	47.5
93.07043	44.9
94.07373	1.4
95.04973	5.9
95.08612	23.7
97.06528	3.2
99.04443	2.3
99.08077	1.5
105.04583	1.3
105.07040	37.1
107.08597	39.8
109.06506	5.1
109.10164	60.0
111.08051	1.9
113.05980	2.2
117.07009	7.0
119.08567	11.7
121.10143	15.5
123.08144	1.4
123.11717	7.4
125.09624	2.2
127.07538	2.3
129.06972	1.3
131.08562	9.0
133.10138	61.2
135.11697	8.9
137.09607	1.5
140.45915	1.2
143.08514	2.4
145.02806	2.3
145.10133	5.6
147.11682	4.4
149.09636	1.1
149.13269	5.0
151.11194	27.8
159.11705	6.0
161.09573	2.5
161.13255	5.1
163.14796	2.0
169.12231	4.8
171.11673	1.1
173.13298	3.7
177.05452	5.0
179.10638	1.9
185.13327	1.6
187.14799	2.8
201.16391	1.6
215.12651	2.2
243.20970	3.2
253.14365	64.9
261.22144	15.8
271.15326	2.3
315.23224	1.5
317.24777	5.7
421.30850	1.5
439.32468	3.1
457.32919	2.5
503.38007	1.4
513.35547	10.4
531.37299	100.0
540.94403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.4
55.01864	4.8
55.05518	18.5
57.03430	3.4
57.07060	4.3
65.03931	4.2
67.05511	71.0
69.03411	4.1
69.07074	19.5
71.04988	4.7
71.08652	2.0
79.05502	44.8
81.03420	2.2
81.07066	69.0
83.04986	8.8
83.08624	8.0
85.06555	7.4
85.06976	1.4
87.04481	9.1
88.04807	2.2
91.05489	52.7
93.07056	52.9
94.24471	1.3
95.04966	7.7
95.08619	30.3
97.06522	5.7
97.10190	2.0
98.21458	3.7
99.04440	3.0
99.08130	1.4
105.00108	2.1
105.04505	2.4
105.07040	43.5
107.07891	2.5
107.08607	44.2
108.05499	1.6
109.06512	6.1
109.10169	68.5
113.06017	2.9
117.07004	5.0
119.08599	14.0
121.10162	15.6
123.07998	2.0
123.11708	11.5
125.09585	1.6
127.07570	3.5
129.06926	1.8
131.08591	14.3
133.10146	72.2
135.11711	9.4
137.09554	2.1
137.13284	1.5
143.08577	3.8
145.10101	9.7
147.11681	6.4
149.13269	8.6
151.11205	34.3
157.10098	1.8
159.11717	7.3
161.09576	1.5
161.13200	4.1
163.14766	1.4
169.12256	10.0
171.11765	1.9
173.13290	4.4
175.14864	2.6
183.11621	1.7
185.13232	2.0
208.67653	1.7
215.12767	4.8
220.60490	1.4
222.44923	1.4
243.21042	5.5
253.14388	100.0
261.22171	26.1
271.15414	2.0
286.29965	1.4
317.24750	3.2
332.13147	1.5
381.58972	1.5
411.32626	2.3
421.30777	3.0
439.31955	4.4
457.33023	5.4
513.35822	20.1
531.37061	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3658
Annotation	Cordianol F
Peak:m/z	Relative Intensity
55.05503	1.9
56.15306	0.4
57.03428	0.5
57.07080	0.8
64.32383	0.5
66.06920	0.4
67.05511	5.9
69.07079	2.3
69.22622	4.8
71.08623	1.1
73.02903	0.6
79.05489	2.0
81.07062	5.5
82.07381	0.8
83.08614	1.2
87.04457	1.9
90.57441	0.5
91.05479	1.5
93.07049	2.7
95.08617	3.6
97.10193	1.3
104.92035	0.5
105.00085	2.1
105.07017	1.0
107.08578	1.5
109.10158	1.6
119.08615	1.1
121.10119	1.0
133.10089	0.9
135.11745	0.5
137.13242	0.6
140.12672	0.5
190.51994	0.5
195.09909	7.8
251.12560	1.4
337.27393	1.4
397.94336	0.7
455.87030	0.5
531.36530	100.0
532.36810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	8.0
55.05516	26.6
57.03432	20.2
61.02919	12.6
66.19817	4.6
67.05511	59.6
68.99226	4.8
69.03419	14.3
69.07060	20.5
70.06592	62.3
71.04994	20.6
71.08638	8.6
71.88924	4.5
72.08146	7.3
73.02908	4.6
79.05500	44.2
81.03400	12.3
81.07064	56.3
83.04979	8.4
83.08598	11.5
84.04478	8.0
84.08142	17.9
85.02895	42.4
85.06529	5.8
86.09728	5.8
91.03963	6.4
91.05479	39.9
93.07044	53.7
95.04983	7.0
95.08598	42.5
97.02890	24.0
97.06559	6.4
98.09109	8.8
98.09698	100.0
99.08116	10.3
105.07034	35.1
107.08603	35.8
107.22381	5.2
109.06500	8.7
109.10152	21.5
112.08731	5.8
117.06996	14.2
119.08585	32.5
121.06482	5.8
121.10136	26.6
127.03925	18.1
129.07031	8.6
129.10283	7.2
131.08563	18.0
133.10184	27.4
135.11690	20.2
136.07666	5.6
140.14369	47.9
145.04993	8.3
145.10112	12.8
147.04440	13.2
147.11681	21.7
149.13210	15.4
151.07521	6.6
151.11218	6.3
158.15417	8.7
159.11707	10.1
161.13228	11.9
171.11563	6.0
173.13275	7.2
179.14279	11.3
185.13214	7.8
187.14902	7.9
241.19368	5.7
259.20557	24.0
261.22165	5.5
277.21613	29.0
304.19009	11.7
351.25247	97.4
377.22235	7.4
531.27362	61.1
531.77631	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	530.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31821	1.5
55.05513	13.5
57.03445	10.9
57.07077	34.7
57.99434	1.6
59.50396	1.5
67.05508	46.0
69.07069	19.9
71.04979	6.9
71.08283	2.4
71.08633	24.3
78.55852	1.4
79.05490	11.3
81.07056	74.4
83.08608	12.5
85.06544	13.9
85.10201	10.5
87.04472	17.3
89.06018	2.5
91.05470	7.1
93.07047	8.2
95.08611	78.0
96.08912	1.5
97.06519	2.3
97.10169	3.5
99.08052	2.2
105.07019	8.2
107.08570	4.5
109.10143	11.1
117.73254	1.7
119.08568	5.4
121.10135	4.4
122.66669	2.0
123.11713	5.5
133.10004	1.8
135.11693	1.7
137.13232	4.6
147.11702	11.9
149.13338	2.0
165.12761	5.0
183.13803	3.9
201.14806	2.3
226.79247	1.7
239.16342	1.7
257.17484	100.0
257.24734	2.4
296.72086	1.9
301.53210	1.9
302.67188	1.7
313.27365	88.0
341.93506	1.9
443.92538	1.9
495.40436	64.6
530.38037	3.7
531.40210	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	531.2803
Annotation	Pharboside E
Peak:m/z	Relative Intensity
51.59853	2.3
53.03934	5.0
54.15582	2.0
55.01865	3.4
55.05507	15.4
57.03442	15.3
57.07056	4.0
59.04988	7.2
61.02903	9.3
67.05506	16.6
69.03426	47.2
69.07050	13.7
70.06590	35.7
71.04989	35.1
71.06055	5.3
72.08155	4.4
73.02901	4.9
79.05495	14.5
81.03408	10.5
81.07058	70.5
83.04971	10.0
83.08611	6.9
83.51114	2.3
84.04494	3.9
84.08144	15.5
85.02910	52.6
85.06538	8.1
85.86327	2.7
86.09669	2.4
87.04472	21.4
88.15408	2.4
91.03963	2.8
91.05481	27.4
93.07044	30.3
95.04960	11.8
95.08604	30.1
97.02898	34.7
97.06522	12.2
97.10144	5.7
98.09700	36.6
99.04443	6.2
99.08083	8.7
103.03952	5.5
103.05441	4.0
105.07029	77.6
107.08605	43.6
109.02863	4.7
109.06512	6.7
109.10168	25.6
110.07169	3.2
111.04475	2.5
111.08016	3.1
111.11610	2.6
112.08723	2.5
115.03938	30.1
117.07018	6.8
119.08578	51.5
121.06483	9.3
121.10139	28.2
123.08091	5.3
123.11741	20.0
125.09627	64.1
127.03900	10.1
127.07558	4.2
127.11160	5.3
128.67055	2.3
129.07014	3.0
129.10269	3.6
130.07840	2.6
131.08563	17.9
133.04974	25.9
133.10138	71.7
135.11690	11.0
136.07579	5.6
137.09630	17.4
140.14349	15.4
142.07793	6.3
143.08534	5.1
143.10678	100.0
144.09268	2.8
145.04961	8.1
145.10123	28.2
147.04433	6.9
147.11694	65.1
149.09627	5.5
149.13272	4.9
151.11104	4.9
155.08607	3.8
157.10126	16.2
159.11694	28.0
161.13263	14.2
167.10612	13.0
171.11682	6.8
173.13228	8.3
175.14836	4.9
177.09131	3.3
179.05501	4.7
181.09996	4.1
183.11681	2.7
185.13287	2.7
195.11719	4.1
201.16386	20.0
203.17953	26.7
209.11700	6.5
211.14807	3.0
213.16348	5.2
219.17426	44.6
221.11708	5.0
221.18996	7.0
231.17471	3.9
237.18445	7.4
239.12718	3.1
241.06854	2.6
261.18558	6.4
285.18518	2.8
287.14755	7.8
297.18494	3.4
303.19455	2.8
304.18872	2.6
313.75967	2.7
315.19598	6.0
333.20499	4.5
351.21649	6.6
369.22479	3.4
377.21609	3.7
381.22369	2.6
531.27875	23.3
531.77405	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	530.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14888	2.8
55.05508	14.9
55.59422	2.8
57.03428	3.0
57.07072	12.3
58.01781	3.3
65.03609	3.1
65.03958	3.0
67.05511	29.6
69.03441	31.7
69.07076	15.4
69.91769	10.3
71.04982	3.5
73.06530	3.7
79.05499	26.5
81.03416	6.2
81.07053	35.5
82.07387	3.6
83.04997	4.8
83.08618	12.9
85.06546	4.3
87.04465	34.1
91.05486	22.1
92.05838	4.4
93.07050	30.0
94.07436	4.4
95.04972	28.8
95.08604	34.5
95.41811	3.0
97.06558	4.8
97.10201	4.3
98.20853	6.1
105.07033	21.5
107.04933	4.3
107.08585	26.8
109.06527	3.8
109.10163	21.2
117.07025	7.8
119.08599	28.2
121.06470	5.0
121.10134	26.5
123.08105	10.1
123.11721	13.3
125.09654	4.5
131.08595	17.0
133.10143	19.7
135.08055	5.0
135.11700	9.2
137.09610	6.7
143.08546	12.8
143.78137	3.4
145.10114	16.2
147.07964	3.9
147.11664	13.4
149.09604	7.0
149.13275	6.3
151.11177	4.6
157.10130	13.5
159.11691	17.8
161.13248	21.7
165.12793	3.1
166.26579	3.3
168.86861	2.9
169.10179	5.7
171.11707	10.2
173.13266	13.9
175.11270	3.6
175.14824	5.9
177.12863	4.7
183.11758	5.8
185.13260	7.2
187.14902	15.6
189.16312	5.5
195.11743	4.3
196.08713	3.1
197.13281	8.1
199.14854	9.3
201.16362	5.0
209.13203	4.6
211.14861	6.2
213.16319	6.7
215.18018	3.8
225.16287	5.6
227.17947	11.6
231.17607	4.1
239.18028	4.6
245.19025	13.8
251.27780	3.1
257.18915	4.9
259.20554	7.6
283.20721	4.7
295.20581	3.6
295.24026	8.1
311.23471	16.6
313.25208	54.7
335.23849	3.8
337.25253	8.6
349.25598	4.5
363.26904	11.8
381.27905	100.0
417.31650	3.6
418.23120	3.7
435.32645	8.7
438.34448	3.6
453.33707	19.7
505.66821	4.5
530.39343	75.0
530.50342	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	530.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.2
53.03948	6.3
55.01880	6.7
55.05513	36.4
57.03426	18.6
57.07067	3.6
59.04996	3.0
65.03928	4.2
67.05507	100.0
69.03426	2.8
69.07067	20.7
70.22575	4.6
71.04987	5.7
73.02910	5.7
79.05491	45.2
81.03427	14.6
81.07059	90.1
82.07392	1.9
83.04980	11.5
83.08164	1.9
83.08621	20.4
85.02907	11.0
85.06535	5.6
87.04482	6.8
91.05484	37.1
93.07045	55.6
94.07382	1.5
95.04967	7.1
95.08604	30.6
97.02882	2.7
97.06547	9.7
97.10171	16.8
99.08058	2.3
103.03883	1.6
105.07026	12.2
107.04932	3.8
107.07898	1.5
107.08604	33.2
109.06476	3.5
109.10155	39.9
111.08098	6.8
113.06023	1.7
116.04717	1.8
117.07009	11.6
119.08599	12.0
121.06490	2.3
121.10143	13.3
123.08067	2.8
123.11692	4.6
125.09616	14.1
129.05495	6.8
129.06984	2.9
131.08566	13.7
133.10104	17.8
134.10561	1.3
135.08044	1.7
135.11682	13.3
137.09579	2.4
143.10667	2.9
145.10080	4.6
147.08060	1.5
147.11685	3.9
149.09633	2.3
149.13242	17.1
151.11183	2.6
152.93365	1.2
153.12790	3.3
155.10692	2.7
157.10112	2.8
159.11658	10.3
162.61217	1.3
163.11189	7.7
171.97998	1.3
173.09592	3.0
173.11749	12.9
177.12717	4.8
181.12198	2.5
189.11011	1.5
191.10771	2.7
195.13828	24.3
199.13283	10.4
209.11758	6.3
213.14835	2.9
227.12733	4.6
229.12106	2.5
229.14354	40.5
257.13953	1.4
267.15878	3.7
269.17468	57.6
283.15399	2.5
301.16409	13.9
393.25977	2.6
411.27289	6.0
423.27417	16.6
431.91055	1.4
432.20169	1.7
439.26312	1.3
467.41025	1.4
495.29550	24.8
513.30493	20.3
530.26648	1.8
530.39514	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	530.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
64.26947	0.5
67.05494	2.3
68.05028	1.0
69.07066	1.2
70.06596	13.6
70.56910	1.0
70.57304	1.1
70.74268	0.5
72.08152	1.4
74.06073	0.5
81.07053	0.6
84.04499	1.3
84.08138	5.3
85.02882	0.9
86.09704	9.0
86.10197	1.0
89.03914	8.8
91.05482	2.4
96.08110	1.0
98.09693	100.0
98.20809	0.6
102.05543	0.8
103.05381	0.7
111.10453	1.1
112.11232	0.7
116.02649	0.5
117.03381	28.6
119.04951	3.7
120.08105	0.5
129.03119	0.5
129.10226	2.3
134.03601	1.5
135.04445	0.9
136.07567	1.9
137.05971	2.0
140.14340	27.8
143.11752	1.5
145.02846	73.4
147.04387	2.6
149.05981	8.3
151.07542	0.9
158.15390	10.1
161.06004	1.0
162.06754	1.1
163.04018	0.7
175.03925	2.3
177.05466	93.7
179.07062	4.7
180.07758	0.7
186.05388	1.0
201.05550	0.8
231.06528	0.6
305.30313	0.5
325.10760	1.9
333.19418	1.4
337.10709	1.6
355.11786	1.7
373.12695	3.6
530.27502	93.9
531.27600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82769	0.6
53.03941	2.8
55.01886	0.9
55.05269	1.0
55.05516	11.2
57.03436	2.7
57.07071	2.6
61.58720	0.5
65.03960	1.7
67.05511	35.7
69.07072	13.2
70.81034	0.6
70.81355	1.5
71.04992	2.4
71.08623	0.8
79.05501	23.4
81.03423	1.3
81.07063	36.6
83.04990	2.2
83.08623	5.7
85.02901	0.8
85.06541	2.1
91.05490	16.8
93.07049	32.4
95.04981	2.9
95.08614	18.8
97.06538	3.0
97.10174	1.6
102.22168	0.5
103.05550	0.9
105.04568	0.9
105.07043	16.1
105.07700	1.2
105.97124	0.7
107.08608	16.2
109.06509	0.9
109.10169	7.2
109.10869	0.9
111.08089	2.3
111.11723	0.7
115.05444	1.3
117.07024	9.4
119.08585	10.5
121.10155	11.5
123.08071	0.9
123.11724	2.3
128.06256	0.7
129.07011	4.7
131.08568	14.6
133.10141	7.5
135.08078	1.2
135.11687	7.0
139.11198	1.2
141.06972	1.3
141.34271	0.6
142.07784	0.7
143.08563	6.3
145.10136	10.2
147.11702	4.2
149.09566	1.1
149.13275	7.9
155.08566	3.3
157.10124	4.8
159.11707	9.4
161.13248	3.4
163.14914	0.7
167.08604	1.2
169.10199	2.7
171.11639	3.5
173.13281	5.0
175.14799	1.9
176.75468	0.6
177.12804	1.7
179.14313	0.7
181.10155	1.5
183.11751	2.4
185.13264	3.2
187.14803	3.6
195.11751	1.2
195.13850	3.3
197.13234	1.5
199.14891	1.6
201.16435	2.1
209.13380	1.9
211.14850	1.3
213.14677	0.8
213.16457	1.8
215.17949	1.1
223.14830	0.9
225.16417	1.5
227.17969	1.0
237.16356	0.8
261.18549	0.6
261.22232	2.1
267.17294	0.8
283.20462	0.7
285.22333	0.7
299.23541	1.0
311.23849	0.9
313.25082	0.9
317.24896	0.8
417.30063	0.9
419.33051	2.3
437.34189	8.3
455.35452	3.1
473.36230	1.9
511.37689	5.1
529.38928	100.0
530.39319	1.6
546.42041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.6
52.90435	0.5
53.03940	2.2
55.01868	1.4
55.05273	0.8
55.05518	10.5
57.03440	2.6
57.07080	2.9
65.03930	1.6
67.05508	31.5
69.03424	0.7
69.07072	11.5
71.04984	2.0
71.22980	0.7
79.05498	24.3
81.03423	1.3
81.07063	33.9
83.04993	3.1
83.08622	6.5
85.06538	2.2
91.05488	19.7
91.05921	0.3
93.07047	26.7
95.04965	2.8
95.08611	19.7
97.06528	2.4
97.10184	2.2
99.08107	0.8
105.04509	0.9
105.06329	0.5
105.07037	14.1
107.08594	15.3
109.06530	1.2
109.10159	6.2
111.08096	2.0
111.11684	0.4
115.05446	0.9
117.07018	7.7
119.08588	11.6
121.06505	1.5
121.10147	9.6
123.08073	1.0
123.11697	2.2
125.09595	0.7
128.06255	0.8
128.36369	0.6
129.07025	4.8
131.08577	14.1
133.10136	7.6
135.08092	0.5
135.11697	7.4
136.53578	0.5
137.09612	0.7
137.13277	1.0
141.06993	1.0
142.07838	0.7
143.08559	6.2
145.10135	11.1
147.11690	3.9
149.13258	7.5
152.73775	0.5
155.08578	2.2
157.10133	4.6
159.11700	9.5
161.01311	0.5
161.13222	2.5
163.14868	1.1
167.08609	0.8
169.10175	2.8
171.11665	3.6
173.13264	3.9
175.14874	1.4
177.12755	1.6
181.10172	1.7
183.11714	2.1
185.13266	3.0
185.14720	0.6
187.14813	2.9
189.16495	0.6
191.14374	0.5
195.11745	1.5
195.13837	3.9
197.13277	1.6
199.14816	2.4
201.16481	1.5
209.13251	1.2
211.14793	1.2
213.16489	1.4
215.17953	0.8
223.14851	1.0
225.16217	0.6
237.16516	1.1
239.18045	0.6
241.19702	0.5
243.21184	1.2
251.17998	0.7
261.22052	2.4
297.22150	0.7
299.23761	1.0
311.23749	0.9
311.29504	0.7
315.02905	0.5
317.24814	1.2
327.26862	0.5
339.26749	0.7
355.26224	0.6
419.33069	2.2
437.34109	7.7
445.86835	0.5
455.35172	3.2
473.36676	2.4
511.37875	4.5
529.38910	100.0
530.39423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20972	0.5
53.03941	3.1
55.01863	1.3
55.05514	12.4
57.03431	3.2
57.07074	1.7
65.03931	2.1
67.05505	47.8
69.07072	15.8
70.42220	0.6
70.76104	1.2
70.76441	0.6
71.04983	2.4
77.03931	0.6
79.05494	34.5
81.03417	3.2
81.07056	49.0
83.05000	2.8
83.08618	7.6
85.06526	2.5
90.09406	0.5
91.05481	21.8
93.07044	48.5
95.04977	4.0
95.08608	24.4
95.09072	0.5
97.06524	5.9
97.10186	2.6
99.08099	1.3
103.38995	0.5
105.04519	1.3
105.07027	13.6
107.08598	22.2
109.06528	1.6
109.10160	7.8
111.08092	4.0
113.09631	0.6
117.07018	7.6
119.08584	8.4
121.10146	17.5
123.08102	0.7
123.11708	2.4
125.09608	1.4
129.07011	2.3
130.07820	0.6
131.07603	0.9
131.08578	12.6
133.10126	9.1
135.07983	0.6
135.11681	9.2
137.09596	0.7
139.11182	1.8
143.08572	2.2
144.09280	0.6
145.10127	7.4
147.11679	4.4
149.09679	0.9
149.13260	17.1
151.11192	0.5
155.08577	1.4
157.10080	2.6
158.52602	0.7
159.11703	11.2
161.13266	2.3
163.14827	1.0
167.14407	0.8
169.10222	1.4
171.11765	2.1
173.13232	3.9
175.14844	1.6
177.12743	3.6
181.10103	0.7
183.11720	1.0
184.88486	0.5
185.13261	1.5
187.14874	2.1
189.11096	0.6
193.12234	1.3
195.11873	1.2
195.13821	5.8
197.13208	0.9
199.14882	1.3
201.16476	0.8
211.14815	1.2
213.14784	0.9
219.17496	0.6
243.21172	1.5
256.26358	0.8
261.22186	5.0
297.21979	0.7
317.24664	1.1
419.33160	1.0
437.34140	4.7
455.35223	1.8
511.37833	2.0
529.38904	100.0
530.38696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.05516	4.7
57.03429	1.2
57.07076	25.1
59.04993	1.0
65.03915	1.0
67.05502	7.3
69.03429	1.1
69.07077	5.0
70.06590	1.9
71.08636	48.0
71.52069	1.3
73.06543	2.3
79.05489	6.9
81.03409	2.3
81.07050	8.5
83.04950	1.1
83.08604	2.0
85.10188	25.7
87.04472	13.3
88.07611	2.4
89.06036	100.0
91.05486	18.4
93.07043	16.6
95.04973	4.1
95.08602	6.4
97.10144	1.5
102.09178	2.0
103.05470	3.1
105.04539	1.5
105.07038	7.5
106.82156	0.7
107.04973	4.3
107.07057	2.3
107.08596	7.2
109.10173	1.8
117.06998	3.2
119.04941	4.1
119.08569	7.6
121.06506	43.5
121.10130	3.3
122.16015	0.8
123.08058	1.5
127.14832	1.6
129.07004	2.0
130.08633	3.4
131.07022	2.0
131.08571	5.8
133.08611	60.4
133.10149	3.1
135.08057	6.3
135.11691	2.1
135.94495	0.9
136.05151	1.2
145.10085	3.1
147.08054	10.6
147.11691	1.0
149.09631	6.6
149.13197	2.4
150.06763	3.4
159.11685	2.0
161.13225	1.7
163.11206	4.3
164.08365	2.1
165.07797	1.4
165.09117	20.2
167.10675	1.6
171.11687	1.1
173.13199	1.1
176.58279	0.9
177.11230	17.0
177.12643	1.4
179.84033	0.9
191.10637	2.6
193.12236	2.8
193.15979	0.9
195.13831	1.0
199.14496	0.8
204.13608	0.9
209.11737	10.0
211.13283	1.7
221.13695	1.2
247.20595	20.7
253.14386	1.2
256.26352	22.4
271.15201	1.1
273.22021	1.7
289.25290	1.8
291.23199	31.0
297.16837	1.1
314.54865	1.0
315.18066	1.6
332.18481	0.9
335.25735	3.4
358.65167	0.9
359.20496	1.8
403.23364	7.7
437.33981	1.7
529.38879	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01862	1.9
55.05499	2.6
56.04997	0.9
57.03417	1.5
57.07074	1.1
59.04988	0.9
61.02931	1.1
61.48310	0.7
67.05492	1.4
68.05008	0.9
69.03091	0.8
69.03434	10.8
69.07055	2.7
70.06597	3.9
71.04979	1.4
72.08144	1.7
72.21697	0.7
73.02903	1.7
77.03947	0.7
79.05494	3.4
81.03425	6.1
81.07063	1.5
83.04990	10.2
84.08149	3.9
85.02911	24.5
86.06072	1.1
86.09689	2.8
87.14867	0.6
91.05476	7.5
93.07049	21.7
93.07641	1.2
95.04978	6.7
95.08576	2.2
97.02899	9.9
97.06522	1.5
99.03855	0.9
99.04462	15.3
103.03947	23.3
103.05406	2.9
105.07030	5.0
107.04955	1.7
107.08587	5.6
109.02884	6.9
109.06507	2.6
109.10150	1.4
111.08096	1.7
115.03829	0.7
117.07018	5.6
119.07815	0.9
119.08597	11.3
120.08122	0.9
121.06512	34.3
121.10139	4.9
123.08071	5.1
127.03922	33.8
129.07008	2.2
129.10239	1.3
130.07817	0.9
131.04918	1.8
131.08577	3.4
133.10091	3.1
135.04416	1.8
135.08051	3.6
135.11714	4.6
136.07605	0.7
136.08829	1.6
137.09589	1.9
139.07526	2.4
141.06932	0.6
143.08600	1.2
144.09343	2.4
145.04971	17.6
145.06343	1.7
145.10173	4.6
147.08037	1.2
149.05991	64.8
149.09564	3.9
157.10136	1.7
159.08057	1.6
159.11702	16.9
161.09625	4.1
162.10416	0.8
163.06049	13.5
163.07466	1.8
163.11185	12.7
167.07057	3.7
172.08812	4.3
175.11195	1.4
177.12772	15.8
187.06006	1.2
187.11195	7.0
205.07094	1.5
205.10260	1.5
205.12253	70.0
223.13300	100.0
253.07219	0.9
271.08130	3.2
289.09149	2.7
304.63580	0.6
307.10269	4.4
367.11630	1.1
493.20895	1.3
511.21744	1.1
529.22241	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86993	2.6
55.05512	21.3
57.03441	14.6
57.07087	13.6
59.05010	4.6
65.03952	2.7
67.05511	86.8
69.07072	25.9
71.04994	8.4
71.08613	5.9
71.26031	3.6
71.26368	2.9
79.05511	10.7
81.07059	28.3
83.08621	23.3
85.02909	6.0
85.10199	3.5
86.42726	2.3
89.05999	2.8
91.05457	5.8
93.07057	13.9
95.08608	22.9
97.10165	8.6
107.08611	8.3
109.10161	71.9
111.08067	5.2
113.17729	2.4
119.08591	7.6
121.10170	5.7
123.11681	3.7
133.08571	3.2
135.11687	9.6
136.17169	2.0
137.09604	3.7
142.42496	2.5
149.13254	3.4
155.10669	4.9
173.11784	18.2
196.21265	2.3
229.14374	100.0
251.28938	2.2
255.15884	3.9
265.25381	3.4
268.59268	2.2
283.26291	7.2
313.27560	3.4
339.29013	86.1
376.14401	2.3
493.38913	65.0
528.50092	6.8
529.38330	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.5
55.53703	1.2
57.07083	25.8
60.22200	1.1
62.27013	1.2
67.05515	6.4
69.07085	2.7
69.81980	7.0
71.08638	22.2
73.06563	6.7
79.02017	1.3
79.05492	3.0
81.03414	3.3
81.07066	6.4
82.07392	1.2
83.08608	3.6
85.09729	1.9
85.10191	24.0
87.04449	5.0
89.06037	100.0
90.78257	1.1
91.05489	4.4
93.07039	4.6
95.08594	3.7
97.02891	1.4
97.10181	1.9
98.20806	1.6
99.11736	2.4
100.60536	1.2
105.07015	2.7
107.07069	2.9
107.08591	2.2
109.10188	1.4
111.91305	1.2
117.09124	5.5
119.08590	2.8
121.10187	2.0
130.08667	2.6
131.07108	2.2
131.08591	2.5
133.08615	48.3
133.10097	2.2
141.16414	3.0
143.21136	1.3
145.10080	2.4
177.11246	20.8
181.87973	1.3
185.19043	6.5
201.95445	1.2
221.13792	4.5
226.21544	1.3
229.21654	14.0
265.16364	1.5
273.24265	7.5
283.17627	2.8
308.46271	1.5
327.20264	2.2
371.22809	6.9
511.38470	19.4
528.37469	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	527.319
Annotation	Hythiemoside B
Peak:m/z	Relative Intensity
53.03935	0.3
55.05517	1.2
56.05027	0.3
57.03431	0.7
61.02919	0.9
66.73679	0.2
67.05499	2.6
68.05039	0.3
69.03413	1.1
69.07061	1.1
69.83968	1.2
70.06596	2.7
71.04996	0.2
72.08161	0.6
73.02924	0.4
74.51933	0.3
75.25761	0.3
79.05488	1.9
81.03411	1.0
81.07067	2.2
83.04988	0.7
83.08606	0.7
84.08146	1.7
85.02909	1.2
85.06551	0.3
86.06046	0.7
86.09715	1.4
91.03960	0.5
91.05494	2.3
93.07047	1.8
95.04961	0.8
95.08587	1.5
97.02897	0.7
97.06557	0.5
97.10139	0.6
98.53208	0.3
99.04472	0.3
100.54118	0.2
103.03922	0.3
103.05488	0.4
105.07033	2.0
107.04934	0.3
107.08601	1.2
109.02866	0.2
109.06521	0.4
109.10175	1.5
110.07172	0.5
111.08109	0.3
111.11733	0.7
117.07040	0.8
119.08599	1.1
120.08115	0.5
121.06514	1.2
121.10156	0.9
122.09647	0.4
123.08053	0.4
125.05914	0.3
125.09618	0.3
127.03939	0.7
128.06187	0.3
129.07033	0.9
129.10242	0.5
129.12781	0.4
131.08620	1.9
133.06487	0.7
133.10139	1.1
135.08093	0.5
135.11687	0.5
137.09650	0.3
143.08597	1.7
145.04868	0.3
145.10114	1.7
147.11731	0.4
149.09608	0.5
155.08507	0.3
157.10152	0.7
159.07986	0.4
159.11664	0.4
161.09665	0.6
161.13333	0.4
163.11111	0.4
169.10118	0.3
171.11661	0.5
173.11795	0.4
173.13243	0.4
175.11223	0.4
176.43231	0.2
181.10329	0.3
189.12546	0.3
195.11682	0.6
203.05287	4.4
209.11752	0.4
215.58307	0.3
224.40869	0.3
227.17911	0.3
237.16338	0.6
255.17384	0.5
273.18475	1.5
347.22058	1.7
347.25656	11.4
365.26678	0.9
434.24994	0.3
441.24484	1.4
460.84827	0.3
483.25787	1.3
491.26257	0.3
509.27420	0.4
527.25269	4.7
527.31927	100.0
528.32373	1.0
552.91748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.0
55.01867	6.0
55.05517	19.7
56.05040	1.9
57.03442	10.0
57.07055	2.7
58.79061	1.7
61.02928	16.3
65.03952	2.3
67.05509	32.9
69.03438	10.9
69.07062	12.8
70.03336	8.1
70.06590	22.9
71.04988	5.3
72.08159	4.2
73.02922	6.8
79.05498	33.7
81.03416	7.3
81.04529	2.0
81.07063	34.8
83.04975	6.4
83.08621	8.7
84.04491	3.7
84.08163	14.8
85.02907	18.7
85.06549	3.2
86.06059	5.8
86.09705	9.0
91.03963	9.7
91.05486	47.1
93.07055	31.5
95.04980	6.4
95.08615	24.2
97.02898	15.9
97.06537	6.3
97.10169	5.9
98.09698	3.7
98.97552	2.3
99.04480	4.2
99.08096	2.4
103.03962	2.6
103.05451	4.5
105.06396	3.7
105.07039	39.7
107.04965	7.2
107.07404	2.1
107.08598	18.3
109.02882	4.8
109.06531	7.8
109.10171	12.8
110.07191	3.5
111.04441	5.0
111.08116	4.9
113.42795	2.1
115.03870	1.9
115.05489	3.7
116.98640	2.2
117.07016	18.2
119.04967	2.7
119.08606	23.5
120.08115	2.9
121.06506	10.7
121.10135	9.0
122.09724	4.3
123.08060	6.4
125.09648	3.5
127.03939	4.8
128.06253	9.3
129.07013	17.3
129.10233	4.0
130.07803	5.3
131.08566	39.0
132.10228	2.2
133.06508	8.5
133.10156	13.3
135.08047	3.8
135.11693	5.8
136.07626	3.0
137.09615	3.5
139.11218	3.3
141.07011	5.7
142.07764	3.8
143.08568	47.2
145.04976	2.8
145.06511	2.8
145.10126	50.7
147.08087	7.0
147.11691	3.7
149.09641	4.1
149.13287	3.8
150.09169	28.8
151.07585	2.7
151.09497	10.8
151.11234	2.5
155.08537	4.3
157.10144	16.5
159.08073	3.8
159.11703	13.6
161.09637	8.6
161.13391	2.3
163.11188	6.7
165.12677	2.5
167.08556	5.8
169.10144	8.9
171.11703	10.7
173.09674	5.3
173.13219	2.5
175.11208	6.2
177.12701	3.7
181.10123	8.1
183.11757	7.0
185.09715	2.2
185.13266	6.5
195.11722	11.1
199.11157	3.8
199.14944	3.3
209.11746	5.5
211.14864	2.8
213.12790	3.2
227.12685	2.4
227.17935	5.2
229.14325	2.3
237.16338	16.5
245.19110	2.5
255.17468	16.0
266.10028	3.2
273.15558	3.2
273.18497	37.9
282.09723	2.1
283.15543	4.9
291.19550	2.4
295.11081	2.1
296.11172	2.8
317.06479	2.3
328.10123	2.0
339.09924	2.7
340.10059	3.2
347.22171	100.0
347.25403	4.0
353.11517	2.0
358.15900	2.0
365.23291	8.3
449.19003	7.1
465.23825	2.3
477.18506	11.4
509.20993	4.9
509.27704	2.6
527.18842	4.3
527.31274	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	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01873	9.4
55.05516	30.1
56.05029	1.7
57.03449	13.2
59.04980	2.3
61.02928	13.7
64.57755	1.7
65.03943	1.7
67.05181	3.2
67.05508	37.2
69.03434	24.1
69.07074	26.0
69.49657	9.8
69.50081	3.0
70.06587	6.8
71.01350	2.8
71.04994	5.3
73.02914	8.5
79.05498	27.2
81.03421	30.2
81.07060	31.1
83.04988	8.8
83.08616	16.0
84.08126	2.3
85.02909	24.1
86.09701	3.5
86.41198	1.6
88.06374	1.7
91.03962	9.9
91.05487	20.7
93.07047	23.9
95.04966	12.3
95.08612	15.7
95.56497	1.7
97.02898	23.1
97.06526	6.7
97.10181	17.0
98.20760	3.0
98.65735	1.7
99.04460	7.1
99.08084	2.0
101.02378	4.8
103.03972	2.1
105.07029	20.6
107.04966	9.0
107.08605	15.6
109.02880	8.0
109.06526	3.6
109.10159	18.5
111.04451	3.2
111.08100	2.9
117.07021	6.7
119.08611	14.7
121.06490	8.4
121.10150	6.8
123.04457	3.6
123.08073	8.1
125.09647	14.3
127.03939	13.3
129.05472	2.8
129.07008	6.7
131.08589	9.7
133.06458	2.8
133.10132	7.8
135.08047	4.8
135.11716	5.0
137.09615	5.4
143.08545	3.7
144.07005	1.7
145.04944	3.9
145.06447	2.6
145.10172	9.3
147.08051	7.1
147.11728	4.0
149.06001	1.9
149.09587	3.0
153.09125	2.0
157.10144	5.9
158.33342	2.0
159.07944	2.1
159.11687	4.3
161.09618	6.2
163.11166	4.3
165.09105	3.6
169.09937	2.0
171.11682	3.1
173.04489	2.2
173.11743	3.0
175.11218	4.8
177.12781	2.1
181.12273	2.6
183.06598	3.1
184.29688	1.8
187.11078	1.9
187.13260	2.1
189.11201	11.7
193.12289	7.3
211.11566	1.7
211.13239	8.3
223.13286	18.7
227.12755	6.3
239.18201	1.9
245.13835	2.4
249.15018	3.6
273.18503	20.7
285.16962	2.1
291.19553	100.0
347.22107	7.9
365.23218	30.6
407.23871	1.8
481.74063	2.0
509.27411	5.9
527.28351	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	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.0
55.01867	6.0
55.05517	19.7
56.05040	1.9
57.03442	10.0
57.07055	2.7
58.79061	1.7
61.02928	16.3
65.03952	2.3
67.05509	32.9
69.03438	10.9
69.07062	12.8
70.03336	8.1
70.06590	22.9
71.04988	5.3
72.08159	4.2
73.02922	6.8
79.05498	33.7
81.03416	7.3
81.04529	2.0
81.07063	34.8
83.04975	6.4
83.08621	8.7
84.04491	3.7
84.08163	14.8
85.02907	18.7
85.06549	3.2
86.06059	5.8
86.09705	9.0
91.03963	9.7
91.05486	47.1
93.07055	31.5
95.04980	6.4
95.08615	24.2
97.02898	15.9
97.06537	6.3
97.10169	5.9
98.09698	3.7
98.97552	2.3
99.04480	4.2
99.08096	2.4
103.03962	2.6
103.05451	4.5
105.06396	3.7
105.07039	39.7
107.04965	7.2
107.07404	2.1
107.08598	18.3
109.02882	4.8
109.06531	7.8
109.10171	12.8
110.07191	3.5
111.04441	5.0
111.08116	4.9
113.42795	2.1
115.03870	1.9
115.05489	3.7
116.98640	2.2
117.07016	18.2
119.04967	2.7
119.08606	23.5
120.08115	2.9
121.06506	10.7
121.10135	9.0
122.09724	4.3
123.08060	6.4
125.09648	3.5
127.03939	4.8
128.06253	9.3
129.07013	17.3
129.10233	4.0
130.07803	5.3
131.08566	39.0
132.10228	2.2
133.06508	8.5
133.10156	13.3
135.08047	3.8
135.11693	5.8
136.07626	3.0
137.09615	3.5
139.11218	3.3
141.07011	5.7
142.07764	3.8
143.08568	47.2
145.04976	2.8
145.06511	2.8
145.10126	50.7
147.08087	7.0
147.11691	3.7
149.09641	4.1
149.13287	3.8
150.09169	28.8
151.07585	2.7
151.09497	10.8
151.11234	2.5
155.08537	4.3
157.10144	16.5
159.08073	3.8
159.11703	13.6
161.09637	8.6
161.13391	2.3
163.11188	6.7
165.12677	2.5
167.08556	5.8
169.10144	8.9
171.11703	10.7
173.09674	5.3
173.13219	2.5
175.11208	6.2
177.12701	3.7
181.10123	8.1
183.11757	7.0
185.09715	2.2
185.13266	6.5
195.11722	11.1
199.11157	3.8
199.14944	3.3
209.11746	5.5
211.14864	2.8
213.12790	3.2
227.12685	2.4
227.17935	5.2
229.14325	2.3
237.16338	16.5
245.19110	2.5
255.17468	16.0
266.10028	3.2
273.15558	3.2
273.18497	37.9
282.09723	2.1
283.15543	4.9
291.19550	2.4
295.11081	2.1
296.11172	2.8
317.06479	2.3
328.10123	2.0
339.09924	2.7
340.10059	3.2
347.22171	100.0
347.25403	4.0
353.11517	2.0
358.15900	2.0
365.23291	8.3
449.19003	7.1
465.23825	2.3
477.18506	11.4
509.20993	4.9
509.27704	2.6
527.18842	4.3
527.31274	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	526.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.8
57.07079	66.9
57.72755	1.1
65.95615	1.1
67.05510	2.6
67.43435	1.1
68.08654	1.0
69.07070	9.5
70.09829	2.8
70.10216	1.6
71.08635	62.2
73.06552	4.6
83.08622	3.6
85.09664	1.4
85.10185	36.8
87.04459	4.0
89.06033	100.0
95.08599	1.2
97.10179	3.1
97.75772	1.1
99.11709	8.6
105.07040	2.0
107.07092	1.7
109.10170	1.4
111.11720	4.3
113.13284	8.2
117.09143	4.9
125.13261	2.6
127.14862	3.1
130.08647	3.2
131.07014	1.9
133.08604	76.7
135.10193	1.5
159.45906	1.1
161.11742	1.4
177.09689	1.7
177.11223	31.2
177.12709	2.0
183.21104	2.5
184.07368	1.2
195.12216	1.3
200.84584	1.0
221.13832	9.6
225.04150	1.1
239.14909	5.2
268.85150	1.0
271.26346	5.0
272.61435	1.1
283.17477	4.7
299.57327	1.1
315.25720	1.5
315.29013	9.4
327.20117	33.2
421.35196	2.5
465.38199	2.3
509.40506	43.1
526.36017	1.6
526.42938	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	527.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86987	5.4
53.03938	11.9
55.01862	16.3
55.05509	23.4
57.03428	22.1
61.02927	28.0
65.03934	6.1
67.05506	98.8
69.03432	35.9
69.07065	23.0
70.06585	15.3
71.04994	13.2
71.40561	8.4
73.02905	21.2
77.03951	5.3
79.05490	70.1
81.03417	54.1
81.07060	94.0
83.04971	22.9
83.08630	11.3
84.08124	7.7
85.02903	37.8
87.04446	5.8
91.03948	17.7
91.05472	82.3
93.07045	49.4
95.04955	23.6
95.08602	40.0
97.02873	39.4
97.06520	12.2
99.04445	12.8
99.74691	5.1
105.07028	78.7
107.04951	24.3
107.08588	49.0
109.02866	12.4
109.06505	13.7
109.10157	68.6
110.07162	7.2
111.04395	9.6
111.08081	8.8
117.07027	13.2
119.08575	24.2
121.06506	24.8
121.10143	18.2
121.11020	5.4
123.04433	9.1
123.08045	14.4
123.11730	10.0
127.03928	30.4
129.05418	6.5
129.07062	7.5
131.08606	31.8
133.06497	14.1
133.10143	100.0
135.08055	15.4
135.11668	12.9
138.37830	5.5
142.10944	6.1
143.08540	11.2
145.10101	17.0
147.08035	7.8
147.11684	10.9
149.09607	14.7
151.11194	58.0
157.10130	7.8
159.08084	6.8
159.11679	10.1
161.09622	9.9
161.13277	6.2
169.10103	9.0
169.12233	20.0
171.11746	9.5
173.04597	5.8
173.09615	8.8
173.11749	5.7
175.11200	8.0
177.09201	6.7
179.10773	7.6
189.12689	8.4
193.12303	6.9
195.11757	5.8
197.13347	6.2
215.12799	18.2
237.16411	12.8
253.14363	50.5
255.17450	6.1
271.15363	7.0
273.18460	26.1
291.19495	18.0
347.22189	14.9
365.23315	39.9
415.19342	6.6
509.26736	8.5
527.27551	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02836	1.0
55.05516	15.2
57.03444	14.6
57.07066	3.2
59.04988	3.4
65.03934	1.7
67.05511	100.0
68.19875	1.1
69.07066	13.9
71.05004	2.1
71.38061	2.5
73.13413	1.1
74.78080	1.2
79.05490	8.9
81.06603	2.3
81.07063	38.7
83.04974	1.2
83.08633	11.7
85.06527	2.0
89.06037	3.1
91.05495	9.4
93.07056	12.1
95.08614	29.1
97.06522	1.7
97.10170	3.1
105.07033	4.7
107.08602	7.6
109.10164	71.9
111.08089	4.8
117.07018	1.2
119.08591	7.7
121.10140	4.3
123.11693	4.3
133.10123	3.7
135.11682	2.6
137.09605	4.0
137.13258	1.5
147.11671	2.6
149.13249	2.1
155.10719	9.7
161.13268	1.4
173.11729	13.9
229.14365	94.4
245.22684	2.6
263.23694	5.4
337.27390	97.4
422.76904	1.4
491.37378	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
53.89907	1.5
55.01866	6.7
55.05508	3.1
57.03430	2.0
64.14013	1.2
67.05493	5.9
67.95995	1.1
69.03433	8.5
69.07072	7.0
70.06609	6.3
71.04984	5.0
71.52519	2.3
73.02915	1.3
79.05493	9.4
79.32918	1.3
79.67390	1.4
81.03422	25.2
81.07056	23.0
83.05002	3.5
84.08141	2.1
85.02903	3.8
85.06532	7.6
86.09729	3.0
91.05485	7.4
93.07047	33.9
95.04980	4.8
95.08605	3.7
97.02884	3.7
97.06527	7.8
99.04462	15.8
101.06021	1.3
103.05421	1.6
105.07029	27.9
107.04985	1.9
107.08600	40.0
109.02880	30.7
109.06510	7.5
109.10159	2.0
111.08067	5.0
113.06020	4.4
117.07022	3.2
119.08575	10.9
121.06512	16.4
121.10145	38.4
123.08067	4.9
127.03925	32.7
127.07520	1.7
129.10173	1.6
131.08517	3.4
133.06500	1.3
135.08064	6.9
135.11693	12.4
136.07578	1.7
137.09587	1.8
139.07512	2.5
139.11206	2.8
145.04996	1.5
145.10133	32.8
147.11642	5.0
149.05908	1.5
149.09644	12.7
151.07553	3.2
161.09627	2.0
163.11185	84.8
164.91133	1.5
167.10690	22.5
169.08606	24.0
173.09634	7.4
181.12247	17.1
185.11758	8.2
189.09117	1.7
191.08936	3.1
191.10674	54.1
209.11745	55.4
227.12788	100.0
245.13908	2.1
269.13867	18.7
271.13339	4.2
289.14392	6.6
299.12723	4.1
311.14960	2.5
317.13779	8.7
335.15009	9.6
353.15964	56.3
371.17010	29.7
389.17960	5.9
443.14954	1.4
520.69897	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
54.70370	0.2
55.01847	0.3
55.05503	0.2
57.03444	0.2
61.02899	0.2
67.05498	0.6
68.05032	0.3
68.77901	0.1
69.03421	0.3
69.07066	0.2
70.06593	1.2
70.63896	0.3
70.64226	0.2
72.08140	0.2
73.02922	0.2
79.05485	0.8
80.05009	0.5
81.03400	0.3
81.07059	0.9
84.08144	1.1
85.02915	0.5
86.06067	0.4
86.09708	0.8
91.05466	0.4
92.16106	0.2
93.07037	0.4
94.06573	4.9
95.04977	0.2
95.07341	0.4
95.08585	0.5
96.08120	0.4
97.02905	0.2
105.07034	1.0
106.06561	1.9
107.04961	0.2
107.07341	10.5
107.08579	0.6
108.04478	3.7
108.08157	1.3
108.08842	0.2
110.06049	1.8
110.07178	0.2
120.04469	0.5
120.08120	1.0
121.06509	0.8
121.08943	0.3
121.10132	0.3
122.06142	1.1
122.09671	100.0
123.03178	0.3
123.10473	3.2
124.03974	0.7
124.07589	2.0
124.11228	0.7
127.03843	0.2
129.10271	0.3
131.08574	0.6
132.08055	0.3
134.05923	0.3
135.06819	0.5
136.07579	10.3
138.09163	0.2
140.03447	0.4
140.07062	0.5
146.09592	0.2
148.03899	1.0
148.07611	0.6
148.11212	3.4
150.05568	0.9
150.09146	10.4
150.82483	0.2
151.09930	5.3
152.07076	1.4
152.10609	0.2
154.05066	0.8
156.06609	0.3
160.03989	0.2
163.11201	0.2
168.06564	2.1
170.08125	5.5
176.03407	1.1
176.10712	15.2
177.11359	0.2
178.05008	0.4
180.06522	0.4
204.06596	0.3
204.10217	2.8
206.04504	0.2
208.06041	0.5
229.70020	0.2
241.09657	0.2
241.13365	0.4
248.09235	0.7
252.10265	0.2
253.13359	0.8
254.11868	0.4
254.50703	0.2
255.11378	0.2
257.12982	0.2
265.09689	0.2
269.12881	0.5
270.13828	0.2
271.14478	0.4
280.09570	0.3
281.12671	0.4
282.10162	0.2
285.08643	0.3
291.09763	0.6
297.12357	0.8
298.13181	0.5
299.10907	0.3
299.13907	1.0
300.08740	0.3
303.09775	0.2
317.11386	0.3
323.12405	0.2
325.11795	0.3
326.12524	0.3
327.09695	0.4
327.13477	0.4
329.14966	8.1
331.16528	0.8
345.10843	1.0
357.14365	0.8
359.12405	0.4
375.12177	0.4
377.13400	0.5
421.18127	0.2
422.21033	0.2
438.20374	0.6
448.18518	0.3
451.18604	0.2
466.19754	14.7
476.18140	0.4
494.19223	8.0
498.22379	13.9
526.21930	2.2
526.30975	0.8
547.88409	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01863	0.7
55.05504	0.8
56.05015	0.4
59.06125	0.4
65.03944	0.4
67.05489	2.1
68.05016	0.7
69.03439	0.6
69.07042	0.5
69.86834	1.2
69.87225	1.0
70.06588	2.7
72.08143	0.8
79.05484	1.2
80.05031	0.8
81.03448	0.5
81.07045	1.9
84.08138	2.1
85.02895	0.9
86.06057	0.9
86.09709	1.3
91.05505	1.4
93.07059	1.1
94.06567	1.3
95.04961	0.7
95.08601	0.9
98.09707	0.9
103.05434	0.5
105.07032	3.1
106.06534	1.8
107.04929	0.7
107.07350	6.9
107.08549	0.8
108.08118	3.5
110.06013	0.6
119.08580	0.6
120.04442	0.5
120.08111	3.3
121.06510	2.1
121.08872	1.0
122.09677	11.7
129.10201	0.6
133.06464	2.2
135.06834	3.1
135.07771	0.6
136.07539	1.0
138.05502	4.2
138.09131	1.1
139.03883	0.7
145.10022	0.7
146.06018	10.4
148.07584	2.5
150.09149	100.0
160.03954	0.6
162.09146	0.5
166.05020	6.1
174.05518	4.4
182.09616	0.5
184.06053	4.6
192.06534	0.6
194.08212	1.1
196.90211	0.6
206.08113	2.3
210.09195	1.5
213.10266	1.3
214.08699	0.5
224.07121	1.1
225.10219	1.7
226.08748	0.7
238.08687	2.2
240.06639	1.1
240.09991	0.5
241.09744	2.1
250.08618	0.6
252.06569	1.7
253.09625	3.6
254.08157	3.2
255.11273	1.5
266.08191	3.9
267.11401	1.2
268.09702	2.0
273.12418	1.0
280.05911	1.0
281.09302	0.7
282.07648	1.3
283.10739	2.7
284.09158	1.6
293.09229	0.9
294.07672	3.3
295.10889	3.7
296.09207	1.9
300.08713	0.7
301.11774	2.9
311.14136	2.2
312.08673	3.7
313.11850	3.3
314.10345	1.1
322.07132	2.0
327.09802	2.7
328.08231	2.7
339.09793	0.9
340.08179	9.3
343.16623	2.5
345.10788	3.9
346.13193	1.0
357.10803	6.1
360.10941	1.2
361.15503	1.5
371.12451	0.8
372.10721	5.1
377.13358	1.7
389.14993	0.8
403.16608	0.9
421.17493	2.7
422.20837	1.0
431.15894	0.9
433.17499	1.4
449.17130	5.6
450.20212	2.1
466.19907	1.1
476.18091	2.0
477.16589	21.1
494.19293	9.1
495.17511	0.8
508.20917	0.8
509.19305	4.4
526.21466	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	526.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
55.05518	1.5
55.76801	0.7
57.03437	1.3
61.02919	0.8
67.05510	1.8
68.05023	2.3
69.03423	1.2
69.07040	0.8
69.52795	1.9
69.53214	3.0
70.06601	7.5
72.08163	1.6
73.02917	1.2
79.05506	2.1
80.05006	0.9
81.03394	0.9
81.07054	2.0
84.04489	1.4
84.08150	6.2
85.02899	2.2
86.06071	1.6
86.09713	2.6
89.06911	0.7
91.03963	1.1
91.05495	2.1
93.07038	2.2
94.06575	1.4
97.02876	0.9
103.05472	1.3
105.07019	4.2
106.06550	1.4
107.04935	0.8
107.07346	9.8
107.08523	0.8
108.08117	3.0
110.07163	1.5
110.09638	0.8
115.03931	1.0
115.08736	1.1
119.08611	0.8
120.08099	3.0
121.06491	2.9
121.08949	1.0
121.10066	1.3
122.06010	1.0
122.09673	16.0
129.10216	1.9
133.06479	2.6
135.06808	2.8
136.07536	1.9
138.05478	0.9
138.09148	1.6
146.06018	2.1
148.07544	1.4
150.09145	100.0
188.30707	0.7
190.05032	1.2
211.08659	1.8
213.10316	1.0
218.08803	0.8
223.08630	1.2
225.10176	2.8
227.08289	0.9
237.10263	7.1
239.08182	4.3
239.11803	1.5
241.09773	3.0
249.10254	0.9
251.08266	2.3
252.08836	0.9
253.09737	6.5
254.60071	0.8
265.09750	15.3
266.10559	1.5
267.07761	4.7
267.11206	5.1
278.08124	0.9
279.07678	1.0
281.09192	9.0
283.10809	4.3
287.10199	1.6
293.09192	12.7
295.10837	12.7
299.10257	2.1
301.11945	0.9
309.09033	1.5
311.10245	5.9
313.11813	2.4
321.08682	6.4
325.11838	0.9
327.09760	11.8
339.09747	17.1
341.11371	2.7
344.14130	0.9
353.11511	1.8
359.12372	8.9
371.12277	7.0
402.18219	3.9
420.19028	1.5
430.17743	2.5
432.19061	2.1
448.18695	17.9
476.18201	41.3
480.20856	0.8
490.19498	5.2
494.18280	1.0
508.20901	10.9
526.18701	3.6
526.31464	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38482	0.7
55.05489	1.7
65.24586	0.7
67.05513	1.1
70.06577	2.5
70.66798	2.4
72.07830	0.8
72.08161	6.7
79.05503	1.5
80.05009	1.5
80.63497	0.8
81.05798	0.8
82.06577	3.3
84.08144	0.9
86.09679	1.0
89.03884	1.7
91.05450	2.5
93.05793	0.9
93.07026	2.2
94.06574	6.9
95.04976	0.7
95.07352	4.3
96.08138	14.8
98.09674	1.0
103.05464	2.3
106.06543	2.9
108.04494	5.9
108.08118	13.2
110.06069	0.8
110.09685	13.5
116.04991	9.6
118.06536	1.1
120.04456	1.3
120.08111	28.1
122.06029	10.7
124.07595	48.5
129.10207	0.9
132.04462	1.1
134.06033	0.9
136.07597	12.5
138.08165	1.4
138.09154	18.7
140.07040	1.1
144.04453	13.5
146.06024	10.0
148.07596	6.0
152.07079	9.4
157.09752	2.4
158.31041	0.9
160.03926	6.5
162.05482	2.9
166.08650	39.6
166.17522	0.7
168.06633	4.9
172.03937	51.1
173.04697	1.9
174.05522	5.0
177.10231	2.8
189.04082	0.9
190.04999	64.8
192.06517	1.5
198.90359	0.8
204.06564	38.4
205.09732	1.7
206.08130	3.1
214.11853	2.2
219.08009	0.9
223.12325	1.4
225.10194	1.6
228.36954	0.8
236.09387	3.1
237.10376	1.2
240.08919	1.0
250.11011	1.3
251.11807	5.1
252.08984	2.4
253.09613	2.6
263.08160	1.0
264.08865	2.4
265.09689	1.2
267.11197	1.4
279.11270	9.2
281.09140	3.4
281.11862	1.0
285.12091	1.0
287.10248	4.4
295.10834	2.6
296.11588	1.0
297.12314	19.2
299.10318	6.9
307.10867	5.3
311.10275	1.1
313.11694	2.4
313.15344	1.7
323.10260	10.1
325.11832	100.0
326.12158	1.3
329.11337	23.5
333.19168	3.6
341.11374	13.1
343.12939	5.7
357.14462	3.0
361.14072	1.0
373.13708	1.1
406.17178	0.9
430.17783	0.9
448.18561	1.9
452.18179	4.6
467.61694	0.9
471.17435	1.0
476.18213	11.3
494.19250	72.1
508.14096	1.2
508.20700	5.3
526.22333	1.4
526.31036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06050	0.7
65.03918	0.7
69.67374	3.2
70.06593	6.4
72.08126	0.8
79.05448	1.6
80.04995	1.6
81.05778	0.8
81.07037	1.6
82.06544	2.5
84.04470	1.0
84.08110	1.9
85.02888	0.8
85.66072	0.7
86.06049	1.0
86.09682	1.3
89.03894	1.6
91.05444	1.9
93.05759	1.2
93.07039	3.3
94.06593	6.5
95.07314	3.1
96.07595	0.9
96.08139	13.1
98.06026	1.1
98.09670	1.2
105.07008	1.4
106.05507	0.7
106.06510	2.7
107.08547	0.9
108.04494	17.9
108.08128	11.4
110.09040	0.8
110.09695	10.6
116.05010	6.4
120.08111	10.8
121.06441	0.8
121.10104	1.4
121.97495	0.6
122.06043	10.7
124.07600	45.7
125.73351	0.6
129.10268	0.9
134.05983	1.0
136.07576	11.1
138.09149	20.6
140.07091	4.1
140.93187	0.7
144.03409	1.2
144.04449	13.4
145.04980	0.8
145.10101	1.4
146.06018	17.2
148.07590	5.3
149.09674	0.9
150.05518	3.2
152.07060	6.2
157.87041	0.7
160.03957	6.1
162.05499	2.4
163.11160	2.5
166.07236	0.9
166.08658	17.8
168.05215	1.3
168.06575	18.3
172.03951	40.3
173.04771	1.7
174.05534	11.7
190.05006	56.8
191.10675	1.5
192.06592	0.8
204.06573	37.0
206.08133	15.0
207.09262	1.1
219.07751	0.7
221.10670	1.4
223.08755	0.8
223.12277	1.9
223.31374	0.7
225.10057	0.9
226.11066	0.8
227.12743	2.5
235.08408	0.7
236.09457	2.0
237.10141	0.9
238.10974	1.2
239.11685	1.0
250.10983	0.8
251.11841	4.3
252.08932	2.0
253.09653	0.7
253.13400	0.9
257.77600	0.7
264.09000	2.3
264.14310	1.3
267.11163	0.8
269.12952	0.8
278.10425	1.4
279.11292	9.7
280.09906	0.7
287.10403	1.5
295.10696	2.2
296.11508	1.3
297.12366	23.0
299.10257	3.7
307.10742	9.7
311.10883	0.7
311.14798	2.3
313.11768	5.2
323.10248	9.9
325.11847	100.0
326.12198	0.7
329.11331	5.8
329.14810	1.0
339.13480	0.8
341.11353	14.3
343.12973	7.4
354.86365	0.7
357.14368	1.6
359.12494	1.4
361.13907	1.8
373.13989	10.4
378.24921	0.7
382.18759	0.7
410.66367	0.6
448.18399	1.4
452.18048	3.7
466.19727	1.3
469.20682	0.6
476.18259	7.9
494.19263	94.6
495.19644	1.1
508.20911	6.3
512.20154	2.7
526.22205	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	526.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.01878	0.7
57.03446	0.5
58.96665	0.5
66.44011	0.4
67.05501	0.9
68.05030	0.9
69.03418	0.6
70.06577	3.2
71.18098	0.8
71.18420	0.5
71.29417	0.6
72.61668	0.4
74.44253	0.4
79.05488	1.4
80.05006	0.6
81.05808	0.7
81.07069	1.2
82.06576	0.7
84.08133	1.7
85.02921	0.6
86.06068	1.2
86.09718	0.9
91.05481	1.4
93.07051	0.8
94.06557	1.5
95.04971	0.8
95.08607	0.8
97.06496	0.6
105.07021	1.1
106.06573	1.3
107.07339	9.3
107.08554	0.5
108.08133	2.2
109.10194	0.5
118.06556	0.6
119.08556	0.6
120.08105	2.6
121.06503	1.6
122.09672	13.9
123.11691	0.5
135.06783	3.3
136.07549	0.8
138.05511	1.5
138.09122	1.3
146.04855	0.6
146.06023	9.5
148.07532	0.9
150.09145	100.0
151.09506	0.6
164.54195	0.5
166.05043	0.9
172.03967	1.0
174.05519	1.2
206.08142	2.0
209.10683	0.7
211.08754	1.2
213.10458	0.8
220.06190	0.5
223.08711	1.6
224.09430	0.8
225.10231	2.5
227.08051	1.1
237.10240	5.6
238.11009	1.0
239.08170	3.4
239.11853	1.9
241.09776	1.4
247.08537	0.5
249.10397	0.5
251.08177	1.9
252.08977	1.0
253.09705	6.0
254.08002	0.7
255.11351	1.1
265.09720	14.3
266.10617	1.0
267.07712	2.2
267.11270	3.7
277.09787	0.7
279.07727	1.2
281.09225	6.6
283.10806	5.3
287.10254	1.1
293.09195	9.2
295.10751	10.4
295.13824	0.9
299.10294	2.7
301.11765	3.3
309.08707	2.0
311.10229	5.1
311.13644	0.7
313.11850	3.6
321.08722	5.4
322.07245	0.5
327.09741	8.8
330.12363	0.7
334.92838	0.5
339.09760	14.9
341.11273	2.5
344.13977	1.0
353.11395	2.1
354.10001	0.8
359.12421	7.6
371.12363	8.0
372.13556	0.8
402.18149	3.2
404.03339	0.6
420.19196	0.8
430.17737	2.4
432.19205	1.7
436.18741	0.6
444.76724	0.6
448.18723	14.5
448.24789	0.9
450.20291	4.1
458.17102	1.1
459.31470	0.6
476.18192	43.0
490.19797	4.7
494.19003	0.7
508.13669	0.9
508.20874	13.2
526.30872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69691	1.7
53.03938	2.4
55.01868	4.5
55.05515	14.2
56.05033	3.5
57.03429	4.7
57.07092	8.8
59.04999	2.2
61.02932	3.9
62.49599	1.5
63.03967	1.8
65.11365	1.8
67.05508	22.2
68.05004	3.0
69.03426	9.1
69.07071	49.8
70.06596	36.4
71.04986	6.7
71.51986	3.2
72.08150	9.5
73.02917	2.8
73.06537	1.9
74.79814	1.7
79.05502	14.2
80.04977	2.6
81.03416	5.9
81.07059	100.0
83.04975	2.2
83.06125	1.8
83.08629	18.8
84.04505	5.5
84.08140	23.4
85.02909	20.4
85.06554	14.7
86.06062	3.5
86.09713	20.5
87.44630	1.8
91.03960	4.0
91.05494	9.6
92.12355	2.0
93.07044	33.0
94.06539	2.7
94.50827	1.8
95.04952	4.4
95.08612	79.0
96.04478	2.1
97.02888	9.5
97.06534	6.5
97.10166	6.5
98.09698	10.3
99.04448	3.7
99.08102	4.6
102.05509	2.2
103.05457	2.9
103.72377	2.4
105.07036	14.1
107.08601	26.8
109.02882	2.2
109.06504	3.5
109.10162	29.9
110.07181	5.6
111.08099	11.2
111.11757	13.0
113.09651	1.9
119.08598	7.6
120.08127	17.4
121.06512	9.6
121.08456	4.1
121.10147	17.2
122.06004	2.7
122.09657	1.8
123.08063	2.4
123.11705	33.5
125.09605	2.9
125.13257	4.3
126.12852	2.0
127.03924	8.0
127.11188	5.1
129.07036	2.5
129.10233	8.7
129.61491	1.8
130.05029	2.0
131.08546	4.0
133.06458	2.3
133.10126	5.2
134.09665	2.9
135.08076	2.4
135.11699	16.2
136.07600	4.8
137.09528	2.2
137.13263	28.6
138.09105	2.3
139.11119	2.4
140.14336	3.8
143.08517	2.1
145.04982	3.5
145.10126	5.3
147.04405	3.5
147.11719	4.7
148.07570	3.0
149.09628	2.7
149.13248	30.3
150.09167	3.4
151.14833	3.8
153.12762	21.1
155.14294	8.3
157.10042	2.1
159.09309	1.7
159.11632	2.0
161.13361	3.0
163.14830	7.6
167.14308	6.9
171.13843	5.9
173.15346	5.2
176.10745	2.1
186.12300	1.8
187.10913	2.1
191.17967	3.7
201.16432	5.0
221.04640	2.0
238.07578	1.8
239.23654	5.0
257.19360	1.9
273.25751	3.0
279.26892	10.7
291.26828	25.7
297.27829	4.6
309.27905	48.3
315.28836	5.2
327.29050	9.7
340.13660	2.3
345.29935	10.7
451.73828	2.7
465.18246	3.0
481.91229	2.1
507.18790	2.9
524.76416	3.0
525.24561	21.5
525.31470	7.8
533.26068	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	525.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.01874	6.0
55.05515	21.8
56.05036	6.7
57.03441	6.1
57.07069	10.6
59.05007	3.4
61.02921	6.1
67.05505	28.8
68.05022	5.8
69.03448	11.6
69.07077	46.4
69.38888	2.2
70.06599	68.5
70.29102	2.2
71.05006	13.0
71.06939	3.1
71.08624	6.3
71.52250	3.8
72.08157	13.9
73.02901	4.1
74.06078	3.6
79.05492	17.9
81.03408	9.8
81.07063	100.0
83.04953	3.2
83.06104	3.5
83.08624	14.9
84.04487	8.9
84.08147	42.9
85.02911	26.2
85.06548	21.0
85.08504	3.9
85.10175	3.4
85.93176	2.2
86.06056	10.8
86.09716	32.3
87.04467	3.8
87.05586	2.9
89.06017	2.6
91.03958	3.7
91.05482	14.4
93.07050	37.2
94.06557	4.6
94.07381	2.9
95.04941	6.5
95.08616	68.8
96.08172	2.9
97.02906	15.8
97.06525	8.7
97.10159	7.3
98.09725	17.8
99.04451	4.9
99.08097	7.7
99.10001	2.4
102.05550	2.5
103.03969	3.0
103.05461	3.3
105.07037	21.4
107.08609	35.8
108.08141	3.0
109.02883	6.4
109.10167	43.3
110.03286	2.4
110.06075	3.9
110.07165	10.3
110.09682	2.7
111.08095	14.9
111.11721	9.3
114.05515	2.8
115.03932	3.7
117.07021	4.4
119.04929	5.0
119.08575	13.2
120.08105	20.0
121.06512	15.6
121.08434	2.4
121.10163	25.5
123.08065	3.8
123.11726	36.9
126.12724	3.1
127.03965	11.9
127.08746	5.0
129.10255	14.8
131.08600	2.4
133.08582	3.4
135.08041	3.9
135.11714	21.4
136.07579	13.0
137.05957	5.3
137.09622	5.0
137.13263	26.9
138.09164	5.9
139.11180	5.0
140.14368	8.5
145.04979	4.1
145.10147	6.7
147.04486	3.8
147.11665	11.2
149.13280	23.0
151.14774	4.2
152.73676	2.4
153.12749	12.8
155.14351	4.8
158.15414	2.9
159.09167	3.9
159.11719	3.5
161.13232	7.2
163.14828	9.6
165.09076	5.1
165.12788	7.7
166.08624	5.7
171.11559	2.6
171.13783	5.4
173.13231	2.8
177.16431	8.3
183.13760	5.3
191.17860	2.8
201.14749	3.9
203.17989	3.6
217.19411	4.9
261.25848	3.1
273.25784	9.8
279.26801	9.1
291.26862	42.3
297.27859	9.0
309.27893	41.0
310.10416	2.4
327.28925	22.2
345.29904	3.1
372.12860	2.8
465.18311	4.3
468.22546	2.3
476.18173	2.9
507.20535	4.3
507.29114	2.9
524.75781	3.4
525.24377	11.1
525.30634	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	524.3716
Annotation	PAF C-16
Peak:m/z	Relative Intensity
52.72356	0.3
56.05037	0.5
57.07072	0.8
58.06604	0.3
60.07891	0.4
60.08168	5.9
66.75013	0.2
67.05492	0.5
69.07037	0.3
71.07380	2.2
71.08601	0.4
72.03217	0.2
79.05504	0.4
86.09713	26.8
89.06030	0.4
95.08619	0.5
98.21163	1.6
98.98469	2.7
104.10754	2.7
109.10110	0.3
121.88774	0.3
125.00015	18.0
147.76524	0.2
153.47325	0.2
180.80098	0.3
184.07353	100.0
313.27286	0.3
506.35980	1.3
524.37140	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	524.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
53.96147	1.5
55.05315	1.2
55.05516	13.8
57.03442	13.8
57.07079	2.4
59.04996	3.9
65.03938	2.7
67.05508	100.0
69.07063	9.0
70.48023	1.3
70.91495	3.1
71.04977	3.6
74.09743	1.5
79.05496	18.5
81.03421	2.0
81.07059	37.7
83.04961	1.4
83.08607	7.1
85.06541	3.1
91.05479	13.0
93.07047	24.0
95.04967	2.4
95.08608	32.0
97.10210	2.1
105.07037	7.0
107.08595	14.2
109.10159	78.7
111.08057	3.9
117.07031	4.6
119.08578	12.5
121.10152	10.3
122.78333	1.4
123.11719	4.7
125.09608	1.6
131.08534	2.0
133.10124	7.5
135.11717	7.5
137.09601	3.7
137.13185	1.5
140.61208	1.6
143.13962	1.2
145.10175	3.0
147.11629	2.2
149.13254	2.7
155.10698	8.2
159.11707	2.7
163.14816	1.3
173.11774	19.4
173.13217	2.4
187.14905	1.8
190.42407	1.2
227.12834	2.1
229.14360	88.3
234.77118	1.2
243.21033	3.7
261.22113	13.8
279.23087	1.5
314.27502	1.6
317.24719	2.6
335.25815	81.3
343.00858	1.5
381.26068	1.6
489.35815	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3715
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05507	0.6
56.05040	1.6
57.03436	0.3
57.06824	0.3
57.07084	3.6
58.06580	1.4
59.07394	0.3
60.08168	17.8
67.05495	1.0
69.07056	0.5
69.25243	1.3
69.25653	0.5
70.06590	0.3
71.07380	6.5
71.08630	2.0
81.07048	0.7
83.08617	0.5
85.10181	0.9
86.09711	49.8
95.08609	0.8
97.10184	0.4
98.98470	3.7
104.10750	100.0
109.10165	0.5
125.00011	28.5
163.01595	0.6
169.16679	0.2
184.07350	93.9
206.90927	0.2
258.11041	1.1
263.83182	0.2
268.97144	0.2
301.96240	0.2
341.30594	1.2
447.28894	0.4
506.36081	9.1
507.36530	0.3
524.37152	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	524.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33155	0.9
51.77370	0.9
55.05514	7.8
57.03436	3.9
57.07072	3.4
67.05527	4.6
69.03435	15.1
69.07072	11.2
70.06590	3.2
79.05489	5.8
81.07072	11.3
83.08630	10.0
84.08152	2.7
85.02907	12.3
86.09705	2.6
87.04475	9.0
87.65386	0.8
89.42793	1.0
91.05490	3.6
92.41517	1.0
93.07051	17.1
95.08615	34.0
97.02898	13.3
97.10168	3.4
98.09708	4.4
98.20781	2.1
99.04421	1.0
100.99550	1.0
105.07053	6.5
107.08603	49.3
109.10156	10.9
111.08132	1.1
115.03939	25.7
119.08572	2.8
120.08079	2.5
121.10154	76.5
123.11723	4.3
125.09646	1.7
127.03896	2.7
133.04973	22.9
135.11697	17.2
137.13268	30.1
139.03899	1.0
139.11214	4.0
145.04974	3.9
147.04440	1.5
149.13249	6.4
150.07600	4.1
151.14798	1.5
163.06058	1.1
175.14818	2.2
177.16399	100.0
178.16660	1.4
195.17474	25.1
259.08157	3.1
277.09103	1.4
295.10278	4.8
300.58627	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01867	1.9
55.05498	1.0
57.03445	1.1
58.80259	0.7
60.05666	0.7
62.76709	0.8
67.05500	2.6
69.03413	0.9
69.82202	4.1
70.06599	5.1
72.08163	1.1
79.05498	1.8
80.05006	1.1
81.03447	0.8
81.07057	1.6
84.04521	1.1
84.08159	5.2
85.02892	3.8
86.09696	1.7
89.03916	1.2
91.05499	2.2
93.05783	2.1
93.07082	1.0
94.06573	2.2
95.08592	1.8
96.52739	0.8
97.02959	0.9
98.09693	5.8
98.21517	1.1
105.07043	1.7
106.06574	1.5
107.07321	3.2
108.08123	77.8
109.10141	0.9
116.04984	10.2
119.08563	1.1
120.04465	0.8
120.08109	2.3
121.06524	2.7
121.08918	1.0
122.09681	6.0
124.07591	6.0
126.12810	1.1
127.03920	0.9
134.06006	1.5
135.06770	0.9
136.07597	6.3
136.11226	1.5
138.09113	3.1
140.14366	3.1
144.03410	1.6
144.04462	20.9
145.04996	1.0
146.05974	4.6
147.04388	1.2
148.07591	1.7
149.08339	1.6
150.09154	33.5
152.10791	1.2
160.03859	0.9
162.05513	7.2
165.11436	1.1
166.08658	13.0
168.06625	2.2
172.03943	79.8
174.05528	4.4
180.06651	1.0
184.09698	29.6
190.05009	35.3
204.06570	92.7
211.08742	1.5
224.09406	1.3
225.10208	1.7
237.10312	1.6
239.08170	2.5
239.11983	1.2
240.08916	1.3
241.09872	1.5
243.11285	1.2
253.09753	1.6
253.13361	2.3
260.11520	1.4
265.09891	1.8
267.11264	1.8
269.12875	1.2
271.10818	1.1
275.13950	5.6
281.09567	1.7
281.12872	11.8
283.10742	1.0
283.14584	0.9
286.09494	3.4
287.10272	2.9
287.13980	1.3
293.09323	1.6
295.10574	1.8
296.11746	1.2
298.09497	13.7
299.10391	4.4
299.13657	0.9
300.11035	1.1
301.11868	11.1
309.12332	52.8
313.11841	38.4
321.08932	1.7
323.10175	2.9
323.13855	1.6
325.11877	1.7
327.13412	8.2
341.11340	1.2
341.14941	8.5
343.12872	17.6
355.12851	7.2
356.14163	0.9
364.01956	0.9
375.15472	2.1
406.17523	1.2
418.17819	1.6
420.15421	2.2
422.20566	1.2
424.22336	1.0
448.22256	4.3
450.20300	25.2
460.18533	3.4
463.29465	1.2
492.21402	100.0
506.19284	2.9
524.19257	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.05503	14.6
57.03439	13.1
57.07079	50.9
65.03897	2.7
67.05508	42.1
69.07067	13.0
69.85166	6.0
69.85577	10.4
71.08622	30.8
79.05502	24.3
81.03420	61.1
81.07055	33.5
83.04993	7.3
83.08609	27.2
85.02914	13.0
85.10201	17.8
86.09709	4.7
91.05483	18.7
93.07051	15.1
95.04967	17.8
95.08606	34.2
97.10180	8.4
98.21553	4.0
104.10761	3.4
105.07038	15.1
107.08622	7.5
109.06540	5.0
109.10147	15.9
111.08064	6.5
117.06986	3.0
119.08594	14.1
121.10159	10.6
121.18812	2.8
123.11732	6.5
129.07050	8.5
131.08580	8.3
133.06532	3.1
133.10161	9.0
147.11722	12.0
149.09634	5.5
154.94234	3.3
157.10104	13.0
172.95285	4.1
175.11224	9.2
184.07396	6.9
193.12242	50.6
193.13893	5.0
193.94806	3.0
206.47289	2.6
210.97717	4.7
211.13290	32.7
229.14444	7.8
239.23743	6.1
267.15878	37.2
277.21805	3.5
292.52371	3.1
313.27319	47.4
380.36978	2.9
394.90659	3.4
467.20795	3.2
505.39420	23.3
523.40076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82986	0.5
55.01873	0.9
55.05527	1.0
56.05044	0.9
56.96561	0.6
57.03433	1.4
61.02930	1.1
65.88242	0.5
67.05499	2.1
69.03430	2.7
69.07070	2.1
69.93747	1.8
70.06599	5.5
71.04986	4.1
72.08141	0.9
73.02910	1.9
79.05508	1.8
81.03390	1.1
81.07056	3.5
83.08601	0.6
84.04507	0.7
84.08161	4.9
85.02909	4.8
85.06562	0.6
86.06061	0.7
86.09718	2.5
87.04446	0.5
91.05459	1.7
93.07030	2.3
95.04998	0.7
95.08617	1.9
97.02905	2.5
98.06046	0.5
98.09699	5.3
98.97607	0.9
99.04507	0.6
103.05419	0.7
105.07031	2.2
107.08607	1.2
109.02892	0.9
109.06491	0.6
109.10172	1.8
110.09702	0.5
110.97620	0.6
115.03941	1.1
119.08595	1.0
120.08146	1.4
121.06522	1.1
121.10161	1.8
123.08061	0.6
123.11745	1.3
126.12839	0.6
127.03905	1.3
129.06998	0.5
129.10306	1.1
133.04974	0.6
133.06534	1.0
133.10164	0.9
136.07594	0.8
137.13254	0.6
139.11215	0.6
140.14337	1.8
145.04936	1.1
147.04428	1.3
149.06007	1.4
149.13266	0.7
151.11259	0.6
155.08485	0.5
161.09615	0.7
166.08679	0.9
172.04169	0.4
177.16389	2.5
190.05038	0.7
195.17455	6.2
204.06528	0.6
211.06464	0.5
211.17061	0.9
212.17229	0.5
213.18597	2.2
219.01814	1.4
237.02863	1.7
237.10258	0.8
241.07613	2.5
241.09677	0.6
243.10948	0.6
251.11958	0.7
253.09769	0.7
259.08600	1.2
265.09854	0.9
279.11230	1.3
280.12045	0.5
298.05838	0.9
312.11252	0.7
316.07214	0.8
323.10056	0.6
324.11121	0.7
325.11887	0.5
327.13437	3.8
339.13367	5.4
341.11514	0.5
367.13321	3.7
370.21283	0.8
451.23367	0.8
462.20981	3.1
464.15552	4.6
474.16556	1.0
492.21759	6.6
506.19394	1.6
524.20026	100.0
525.20514	0.8
540.96869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65231	2.4
53.03931	4.4
55.01865	2.7
55.05516	22.2
57.03442	19.3
57.07079	65.9
66.63852	2.9
67.05505	31.7
67.72519	2.7
69.03460	2.3
69.07055	12.9
71.08636	39.1
71.53378	2.9
79.05497	21.0
81.03421	100.0
81.07057	43.4
83.04990	6.9
83.08623	39.7
85.02912	11.9
85.06558	3.7
85.10181	21.7
91.05473	22.1
93.07030	15.1
95.04956	30.1
95.08608	37.6
97.02896	3.4
97.10168	7.7
105.07024	20.2
107.04949	5.9
107.08617	6.4
109.06541	4.2
109.10161	20.5
111.08080	9.6
119.05070	2.3
119.08593	14.9
121.06520	4.3
121.10138	7.5
123.11716	5.8
129.07034	13.3
131.08578	10.3
133.06499	3.9
133.10152	4.6
137.20398	2.8
147.08072	2.7
147.11713	10.8
149.09642	3.9
157.10155	12.1
175.11215	13.6
180.22090	2.4
193.12251	60.9
211.13252	26.4
218.08447	2.7
227.12975	3.0
228.13245	3.5
239.23721	7.0
249.14876	5.0
257.24796	2.9
267.15921	81.0
267.18628	5.2
313.27356	81.9
313.30704	5.1
505.38962	53.7
523.39935	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
55.01870	6.9
55.05515	72.2
57.03440	15.1
57.07075	3.9
59.05019	2.7
65.03948	3.1
67.05508	77.5
69.03429	7.5
69.07069	19.5
70.52292	1.7
75.94267	1.7
78.27473	1.9
79.05073	3.5
79.05499	51.1
81.07059	71.6
83.04987	5.6
83.08622	43.1
85.06546	3.5
91.05481	17.9
93.07045	47.7
95.04949	1.9
95.08609	47.6
97.06525	2.5
97.10175	83.6
99.08086	2.5
105.07039	15.9
107.08601	46.3
109.06563	3.4
109.10162	28.6
111.08092	4.7
117.07000	8.3
119.08569	13.2
121.10133	20.0
121.61051	1.7
123.11758	10.3
123.12468	1.8
125.09634	71.3
130.41095	1.8
131.08536	12.4
133.10136	9.9
135.08084	8.1
135.11745	16.0
137.13277	4.2
143.08563	2.2
143.10664	2.9
145.10121	10.0
147.11676	6.5
149.13275	11.4
153.09109	6.0
159.11688	8.8
161.13271	4.8
163.14854	7.1
171.10187	8.1
171.11568	1.8
173.13283	7.1
175.14874	3.9
179.14250	2.3
187.14767	5.1
189.11232	56.5
198.60091	2.0
227.10535	4.0
227.12775	71.2
228.13406	2.0
233.22688	3.3
243.21033	13.6
245.13857	100.0
261.22141	51.2
277.21692	2.9
279.23181	6.4
317.24802	8.1
335.08026	2.3
335.25818	63.4
353.26913	2.0
374.98679	2.0
399.44696	1.9
413.30377	3.1
431.31567	3.7
487.34378	11.6
505.28201	2.5
505.35272	36.6
523.36279	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	523.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01877	7.4
55.05512	65.3
57.03440	16.0
57.07071	5.1
59.04984	2.1
67.05507	70.5
68.12868	1.3
69.03421	6.6
69.07077	17.6
69.37677	5.0
69.38098	7.4
71.04980	2.6
71.08617	2.7
79.05496	46.9
81.07061	74.1
83.04979	4.4
83.08158	2.4
83.08622	40.8
85.06544	2.3
91.05486	19.6
93.07043	48.6
95.04989	3.0
95.08607	45.4
97.10175	78.6
103.12228	1.4
105.07041	16.7
106.43618	1.5
107.06487	1.6
107.08594	44.5
109.06485	2.7
109.10170	26.8
111.08060	4.7
117.07028	8.3
119.07909	1.7
119.08589	15.5
121.10136	23.0
123.08083	1.9
123.11717	11.3
125.09631	66.1
131.08600	11.1
133.10152	12.3
135.08054	7.6
135.11693	16.1
137.13266	2.2
143.10704	3.4
145.10098	9.7
147.11667	7.0
149.13243	12.9
151.14767	1.8
153.09061	3.4
157.10101	1.6
159.11694	6.7
161.13219	3.8
163.14836	4.2
171.10201	10.4
173.13248	6.1
175.11249	2.0
175.14737	1.8
177.16481	2.5
187.14769	3.8
189.11218	53.0
191.14107	1.8
193.12433	2.2
205.16002	1.6
227.10541	3.4
227.12787	72.2
243.21088	14.2
245.13850	100.0
261.22141	47.3
279.23215	5.2
288.39096	1.4
313.27560	1.8
317.24780	11.1
333.39221	1.6
335.25806	65.0
353.26947	2.6
395.94388	1.4
413.30627	3.0
431.31552	4.9
487.34082	8.1
505.35236	30.9
523.35620	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	523.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.2
55.01861	7.0
55.05513	75.5
57.03437	16.1
57.07064	6.2
65.03955	1.8
67.05507	95.5
69.03423	8.1
69.06789	2.0
69.07079	20.6
69.36922	5.4
69.37327	11.6
71.04993	3.0
71.08620	3.9
75.00043	1.8
79.05077	3.7
79.05498	60.3
79.05962	3.0
81.03406	4.9
81.07057	94.7
81.07533	4.9
83.04969	6.6
83.08624	43.9
85.06544	3.6
85.10159	3.6
88.05922	2.0
91.05486	27.5
91.06420	2.1
93.07046	62.0
95.04963	5.6
95.08611	60.1
97.06518	2.3
97.10172	83.4
98.21513	4.4
99.08108	4.1
105.04457	2.3
105.07027	15.9
107.08598	57.9
109.06519	2.4
109.10153	35.2
110.32845	2.4
111.06361	2.3
111.08070	2.8
117.07042	12.7
119.08590	16.9
121.10153	28.3
123.11720	15.6
125.09630	77.9
131.08568	18.6
133.10115	15.4
135.08069	9.2
135.11685	19.5
137.13255	5.3
139.80177	2.0
143.10703	2.3
145.10110	12.8
147.11679	8.3
149.13245	16.7
151.11195	2.2
153.09093	9.1
157.10068	2.7
159.11707	9.2
161.13234	9.5
163.14807	6.2
171.10185	10.3
173.13214	9.5
175.14854	3.7
177.16365	2.9
179.14301	2.2
184.07237	2.3
187.14850	4.4
189.11224	61.5
193.12273	3.2
201.16382	2.8
227.12784	83.0
243.21127	12.7
245.13857	100.0
261.22137	70.6
267.15961	8.1
279.23239	6.7
313.27258	4.8
317.24722	15.4
321.62201	1.9
335.25824	85.4
413.30457	4.8
431.31479	3.1
487.34274	10.6
505.35092	50.6
523.36011	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	523.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01872	2.3
55.05514	18.5
56.05035	2.2
57.03443	4.3
57.07087	5.3
60.04431	2.4
64.94565	2.1
67.05511	28.6
69.03421	7.3
69.06746	2.6
69.07082	47.3
69.26691	2.1
70.02968	2.1
70.06600	21.3
70.68601	7.0
71.04980	7.4
71.08612	4.1
71.71819	2.4
72.08149	7.3
72.21506	2.2
79.05498	16.3
81.03452	3.2
81.06599	5.1
81.07072	100.0
83.04979	6.3
83.08636	18.2
84.04514	4.8
84.08161	15.6
85.02900	9.0
85.06544	7.4
86.09722	26.3
91.05510	15.1
93.07061	52.1
95.04974	12.2
95.08622	73.4
97.02883	5.3
97.06534	6.2
97.10165	6.6
98.09673	8.6
99.04509	3.2
99.08096	3.2
105.07045	23.2
107.08609	41.7
109.06525	6.5
109.10176	45.3
110.07150	5.6
111.08077	8.6
111.11717	7.5
117.07061	2.8
119.08575	16.8
120.08131	6.1
121.06524	5.0
121.10169	32.7
122.15244	2.2
123.08070	5.0
123.11725	32.2
125.09669	3.9
125.13301	2.4
127.02428	2.2
127.03939	3.3
129.10214	5.2
131.08566	8.0
133.10181	16.9
133.34442	2.2
135.11708	29.3
136.07626	3.7
137.09633	6.5
137.13264	21.5
139.11176	9.5
144.13815	2.6
145.10110	10.7
146.05995	2.3
147.04410	6.7
147.11681	9.5
148.04822	2.6
149.13283	18.2
151.11212	10.2
151.14886	2.5
153.12758	8.0
155.10695	4.8
159.11699	6.5
161.13249	6.9
163.11182	7.9
163.14799	8.8
165.12744	4.3
167.14346	3.2
169.12234	5.7
173.13231	4.8
175.14824	7.0
176.27319	2.2
177.05405	2.7
177.16362	9.8
181.12228	12.5
187.14861	5.9
189.16405	5.1
191.18022	2.9
192.57660	2.2
193.15889	2.7
197.32417	2.1
199.13301	6.3
201.16374	3.7
203.18022	3.5
211.16780	2.2
215.18016	3.4
231.21014	2.2
265.73080	2.1
271.24295	14.1
289.25275	32.9
294.90341	2.1
295.26282	8.2
307.26370	49.5
325.27383	17.3
353.29129	2.1
523.28809	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	522.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01876	2.1
55.05510	11.8
57.03430	2.9
57.07064	4.7
59.05008	2.9
61.02923	2.0
65.03931	1.4
67.05510	12.9
69.03429	7.6
69.07069	29.0
69.27396	9.7
70.06588	9.5
71.05003	6.8
71.08636	1.4
72.08130	2.5
73.02895	1.5
79.05489	8.4
80.05019	1.3
81.03417	2.7
81.07060	48.0
83.04995	2.4
83.08624	11.4
83.62405	1.1
84.04483	1.6
84.08150	8.6
85.02901	9.1
85.06529	4.5
86.09714	6.9
87.00826	2.6
91.05460	9.6
93.07049	27.9
94.06558	3.3
95.04951	3.3
95.08611	33.8
97.02894	4.3
97.06534	7.0
97.10168	7.1
98.09685	1.7
99.04412	1.7
99.08071	1.8
100.11275	2.2
103.05443	2.0
105.01825	1.8
105.07038	16.2
106.06538	1.4
107.07386	8.2
107.08594	21.9
107.95480	1.2
108.08132	16.1
109.02850	2.7
109.06513	2.8
109.10162	25.3
110.06035	1.2
110.09676	1.2
111.08050	4.3
111.11707	4.5
113.09644	5.5
113.10366	1.2
116.04985	2.6
119.08602	9.0
120.04461	4.9
120.08116	4.3
121.06483	6.0
121.10146	31.8
122.06036	2.7
122.08850	2.2
122.09665	15.8
123.08082	1.9
123.11713	31.0
125.09618	4.0
127.03909	5.2
129.07030	1.7
129.10257	2.2
131.08534	1.8
133.09131	1.3
133.10091	5.7
135.06818	3.1
135.11699	14.2
136.07587	2.9
137.05974	16.9
137.13275	9.4
138.05513	3.8
138.09154	1.4
139.11179	7.0
141.12700	1.5
143.10698	1.5
144.04472	5.8
145.10098	4.1
146.06026	5.7
147.04427	1.7
147.11678	9.6
148.07552	1.6
149.09698	1.4
149.13260	8.8
150.05519	2.8
150.09145	100.0
151.09505	1.4
151.11180	3.9
151.14838	1.3
153.12726	3.3
157.06499	1.4
159.11694	5.0
159.94537	1.2
160.03915	1.4
161.09586	1.2
161.13228	5.7
162.05495	2.7
163.11145	4.3
163.14801	4.4
165.12761	4.2
166.05008	2.2
166.08620	1.2
167.14314	4.7
167.45792	1.2
169.12296	2.8
172.02554	1.9
172.03944	27.1
173.13303	2.6
174.05554	1.8
175.14761	3.0
177.09138	2.0
177.16431	3.0
179.14273	1.8
181.12228	4.3
187.14853	1.3
189.08990	1.6
189.16345	2.0
190.05048	10.2
191.17943	3.2
201.16524	2.2
203.17915	5.7
204.06564	10.8
212.09459	1.5
215.18011	2.0
221.18996	4.0
222.07941	1.5
222.11311	1.6
223.08649	1.7
224.09419	2.6
225.10320	1.4
231.21123	3.2
235.08661	2.0
236.09323	3.1
237.10217	10.0
238.11104	2.2
239.11794	3.0
239.20137	6.0
241.09778	2.5
249.10100	1.8
249.22165	2.4
250.06943	1.2
251.08009	2.2
251.11877	7.6
252.08839	1.7
253.09851	5.9
253.12402	1.2
257.12857	3.7
257.21146	33.1
263.11798	2.6
265.09769	16.7
266.10437	2.8
267.11252	3.4
271.24191	8.9
277.25171	1.5
278.06729	7.7
279.07498	1.7
279.11310	10.1
280.08405	2.9
281.09329	1.5
281.12662	3.1
283.10794	7.3
289.09827	2.1
289.25253	39.9
292.08066	1.7
293.09225	15.8
294.09933	5.2
295.26114	2.8
297.12274	5.5
303.26672	1.4
307.10709	4.7
307.26324	28.1
309.12280	14.7
311.10205	2.5
312.11029	3.9
313.11368	3.2
313.14935	5.6
325.11472	10.0
325.15118	1.7
325.27444	6.5
335.10333	6.7
340.10602	2.1
341.11304	9.4
341.14822	1.9
342.21375	1.4
353.11310	14.9
373.13989	1.4
385.13901	4.9
421.20251	1.4
449.19504	4.2
462.20328	9.4
472.18512	4.7
477.27887	1.4
490.19754	62.9
491.19818	2.1
522.21710	6.7
522.28680	2.7
522.40436	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	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88428	0.1
52.30019	0.1
55.05507	0.3
56.05028	0.5
57.03430	0.1
58.06628	0.5
60.08167	5.9
67.05485	0.3
69.07071	0.5
69.25987	1.0
71.07376	2.9
75.68624	0.1
81.07063	0.3
83.08617	0.3
86.09708	29.8
93.07035	0.2
95.08615	0.3
96.03111	0.1
97.10180	0.1
98.98466	2.6
104.10750	2.6
107.08612	0.1
121.10217	0.1
125.00008	20.5
125.42635	0.1
129.09387	0.1
184.07344	100.0
185.07610	0.2
204.96545	0.1
209.05025	0.1
229.36064	0.1
243.92317	0.1
258.11014	0.2
339.28879	0.2
376.96021	0.1
396.54129	0.1
466.35327	0.1
504.34653	1.2
522.35602	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3557
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05514	1.9
56.05025	1.5
57.03438	0.6
57.07082	0.6
58.06610	1.0
60.08165	15.3
67.05499	1.7
69.07073	3.0
69.63599	1.2
69.64005	0.9
70.06588	0.5
71.07382	6.9
78.98672	0.3
79.05500	0.6
81.07067	1.8
83.08614	1.6
86.09708	50.4
91.05428	0.5
93.07031	1.0
95.08609	1.9
95.47095	0.4
98.21549	0.4
98.98473	3.4
104.10746	95.9
105.11122	0.4
107.08608	0.6
109.10151	0.7
121.10132	0.6
125.00009	26.4
129.72029	0.4
135.11678	0.9
138.39557	0.4
158.18172	0.3
163.01599	0.8
184.07347	100.0
195.42973	0.4
226.12831	0.4
258.11011	1.1
278.16730	0.4
339.28839	1.5
504.34448	9.1
522.35522	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	522.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	11.8
58.77406	6.3
61.02897	6.1
67.05493	26.7
69.03442	5.5
69.07053	8.3
71.52296	6.8
72.08155	5.9
79.05481	21.1
81.07055	27.2
81.07481	5.9
83.08622	13.3
83.10666	5.6
84.08140	6.1
85.02912	7.5
91.05479	24.9
93.07047	16.9
95.08576	11.8
97.10187	14.8
103.05477	6.7
105.07042	9.0
107.08590	14.4
109.10156	11.3
117.07033	21.6
119.08579	17.3
120.08105	5.5
121.10215	5.9
124.39414	5.4
125.09668	13.8
129.06993	5.4
131.08537	10.9
169.10196	6.6
215.14360	23.6
227.12794	19.2
293.20938	6.9
333.15207	6.1
335.69806	6.5
357.15070	6.7
358.16672	8.7
367.22327	5.5
376.08420	6.4
376.45456	5.3
441.26279	41.8
459.27490	100.0
469.96890	5.7
477.28687	12.5
522.35535	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	522.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53318	0.4
55.05505	1.0
56.05030	2.2
57.03423	0.5
58.06599	0.6
60.04525	1.2
61.02935	0.6
61.06884	0.4
61.95037	0.4
65.08016	0.4
67.05508	0.9
68.05035	0.4
69.03445	0.4
69.07076	6.8
70.02950	0.5
70.06597	13.8
71.04984	0.5
71.06931	0.7
71.52164	0.5
72.08158	6.7
73.11456	0.4
74.02434	1.0
74.06080	2.0
79.05524	0.5
81.03423	0.6
81.07035	0.5
83.06104	0.5
84.04512	3.5
84.08146	10.2
85.02906	1.3
85.08475	0.5
86.06114	0.4
86.09710	100.0
87.05607	3.1
87.10056	0.9
88.03997	1.1
91.05484	8.1
93.04510	0.4
93.07050	0.5
95.06070	0.5
96.08119	0.6
97.02934	0.6
98.06103	0.5
98.09705	3.1
100.00918	0.4
101.07143	0.6
102.05541	0.8
103.05475	0.5
107.04949	0.5
110.07140	2.8
110.09678	0.5
112.08696	0.6
113.07111	0.5
115.08712	0.6
116.03495	0.5
119.04942	7.4
120.08115	9.8
121.06554	0.7
124.07622	0.6
126.12806	0.4
129.10249	4.4
130.05029	0.8
130.06502	0.8
132.08089	0.5
133.05070	0.8
133.06093	17.3
136.07584	90.1
136.11212	1.1
136.28171	0.4
137.07880	0.6
138.09175	0.5
138.12766	0.4
140.14362	1.1
141.10226	0.6
143.11769	0.5
145.06161	0.4
147.04410	1.0
147.11647	0.8
150.09140	1.9
155.08199	0.8
157.13434	0.4
158.15469	0.7
159.09209	1.7
162.12781	2.2
165.10298	0.5
166.08667	1.4
170.05984	0.6
173.12906	0.8
175.09923	0.7
178.12341	2.6
183.11232	0.7
185.12872	0.5
185.16559	0.7
186.09277	0.5
187.10747	0.6
190.12274	12.2
190.14088	0.7
190.15894	5.1
193.28412	0.4
199.17960	2.2
200.13904	0.5
201.12286	0.5
204.13867	1.4
227.17502	1.8
228.13367	0.7
229.11813	4.0
235.10762	0.8
246.14510	32.6
247.18068	27.3
249.16002	24.7
261.14551	0.7
263.10370	0.6
276.13525	0.6
277.15482	42.7
278.15900	0.5
292.12955	1.5
315.18924	0.5
320.97079	0.4
345.21710	1.5
359.22989	1.0
370.48108	0.4
390.23895	5.8
505.26523	0.6
521.76556	0.5
522.29785	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	522.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01874	1.1
55.05504	2.9
56.05018	1.0
57.03445	3.6
59.05000	1.0
61.02908	0.8
65.03929	1.0
65.56112	0.7
67.05499	3.3
69.03085	1.0
69.03429	11.6
69.07070	4.5
70.06590	6.1
71.04978	2.0
71.52072	0.7
72.08125	1.6
73.02914	1.1
74.44307	0.6
77.03957	0.7
77.09164	0.5
79.05487	3.7
80.05028	0.6
81.03413	2.8
81.07057	7.0
82.06564	0.8
83.08607	2.2
83.49229	0.6
84.04520	1.7
84.08153	5.8
85.02908	9.1
85.06535	1.8
86.06065	0.9
86.09711	4.1
87.04470	7.4
89.03923	1.2
91.05492	3.0
91.64406	0.6
93.07056	5.3
94.06567	2.8
95.04966	2.2
95.08616	7.8
97.02903	11.0
97.06521	6.4
97.10132	0.7
98.06050	0.7
98.09711	1.2
99.04475	2.0
102.05579	0.7
103.03980	0.7
103.05435	1.0
105.07037	5.9
106.06542	1.5
107.07355	9.5
107.08585	6.0
108.04470	0.9
108.08122	10.1
108.08867	0.9
109.02888	1.5
109.06517	4.1
109.10168	4.7
110.07172	1.2
111.08047	0.9
115.03947	11.9
116.02759	0.6
116.04964	4.2
117.07059	0.8
119.08601	5.7
120.04464	5.2
120.08082	3.5
121.06517	2.6
121.08880	1.7
121.10160	3.4
122.06047	1.3
122.09673	13.2
122.10513	1.4
123.08073	2.5
123.11710	2.2
127.03935	2.5
127.11227	1.0
129.10226	2.8
131.08586	0.9
133.04968	10.0
133.10129	8.7
134.06067	1.5
135.06804	2.7
135.11707	6.8
136.07597	3.5
137.09648	2.3
138.05531	5.4
138.09195	0.9
144.04463	9.7
145.04962	2.1
146.06015	3.2
147.04411	1.0
147.11641	1.7
148.07585	0.9
149.13260	5.6
150.09149	100.0
152.07162	1.0
154.90184	0.6
155.10698	0.9
157.98914	0.6
160.07535	0.9
162.05515	3.7
163.11145	0.8
166.05045	1.8
166.08754	1.2
172.03946	46.3
174.05571	0.7
174.09129	0.8
175.14845	11.6
180.06555	1.2
184.09973	0.7
190.05014	7.6
193.15881	21.7
196.09985	0.7
200.09372	0.9
203.17955	1.2
204.06569	61.0
205.06909	0.7
209.10768	1.6
211.08696	0.7
211.16943	40.6
212.09468	1.8
213.10272	1.3
215.11797	1.6
221.19109	0.9
222.07936	0.9
223.08711	1.4
223.12286	0.7
224.09543	1.6
225.10194	3.3
235.08702	1.5
236.09483	1.9
237.10269	9.0
238.11046	1.4
239.11792	3.4
239.20062	2.2
241.09697	1.1
243.11201	0.8
248.09280	1.3
249.10265	1.5
250.10954	1.4
251.08199	2.0
251.11856	5.3
252.08998	1.5
252.12553	0.9
253.09769	3.3
253.13475	1.3
255.11209	1.1
257.12799	4.7
259.08243	1.1
263.11874	0.9
264.08994	1.2
265.09723	11.8
266.10263	1.2
267.11313	2.4
268.08194	0.8
271.10715	0.9
277.09424	0.8
278.06766	1.5
278.10471	0.8
279.11230	6.9
280.08472	2.6
280.11954	1.2
281.09357	1.7
281.12906	2.6
283.10825	6.1
285.12430	1.2
293.09198	11.8
294.09918	4.1
295.10583	1.7
297.12302	3.7
299.10187	1.2
307.10947	2.8
309.12274	4.8
311.10330	1.7
311.13757	0.7
312.11105	2.2
313.11969	3.7
323.10278	0.8
325.11877	9.1
327.13547	1.6
331.13312	0.9
332.13913	2.1
335.10150	3.0
340.10608	1.4
341.11285	5.9
341.15039	13.3
342.15512	0.8
344.14014	1.5
346.15503	1.8
347.16260	3.0
353.11276	10.3
353.15234	1.1
359.12488	0.7
360.17142	2.1
367.12985	1.1
373.22128	1.0
374.14886	1.5
374.18820	1.8
385.13901	6.7
388.16611	2.4
389.17197	0.9
402.18597	0.9
406.17743	2.8
417.16739	1.5
420.19342	1.1
422.20612	1.1
434.16977	2.3
434.21887	1.1
444.19144	0.9
449.19623	6.4
462.20255	17.9
472.18686	3.3
490.19763	82.0
491.19977	1.5
494.22543	1.2
504.21384	6.1
522.22266	6.1
522.29327	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	522.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01871	2.9
55.05511	11.4
56.05041	3.4
57.03430	4.3
57.07087	2.8
60.42112	1.8
61.02913	2.0
62.57276	1.8
65.03944	2.7
66.92634	2.1
67.05510	17.5
68.05037	1.9
69.03447	9.5
69.06802	1.5
69.07082	18.7
70.06596	22.8
70.37335	4.8
70.37717	3.5
71.05003	21.0
72.08151	7.2
73.02904	2.9
73.06571	2.2
79.05504	26.7
81.03421	6.4
81.07063	91.9
83.04999	3.2
83.08629	8.5
84.04510	4.8
84.08147	17.6
85.02915	18.3
85.06548	3.0
86.09715	19.3
87.00833	8.8
91.05482	16.7
93.07053	46.6
95.04951	3.6
95.08610	33.7
97.02894	10.7
97.06521	5.6
97.10180	3.5
98.09683	3.6
98.72390	1.9
99.04442	2.5
99.08105	2.0
103.05472	3.1
105.01857	12.7
105.07040	53.8
105.07699	4.1
107.04926	1.8
107.08602	50.7
109.02878	4.2
109.06504	3.4
109.10168	38.7
110.07166	4.2
111.08131	2.4
111.11721	2.6
112.08754	2.2
112.94624	1.9
113.09693	3.1
114.05545	9.9
117.07053	3.9
119.08590	84.1
120.08123	9.7
121.06499	3.4
121.10159	15.1
123.08129	2.7
123.11726	24.7
125.09628	5.2
127.03946	12.3
127.11212	29.7
129.10239	8.1
131.08575	1.8
133.10138	41.2
135.11703	83.9
136.06265	2.1
136.07539	3.6
137.09654	2.4
137.13237	5.6
143.10709	10.6
145.04971	2.7
145.10091	5.6
147.04436	2.4
147.11711	29.5
149.13275	10.4
150.05531	1.8
150.09132	2.0
151.11140	2.0
153.12762	6.2
159.11653	3.4
161.13268	14.2
163.11240	2.3
163.14835	2.6
166.08655	2.8
168.14549	2.6
175.14824	4.7
184.07321	6.0
200.09436	2.0
203.16046	3.6
203.17970	73.5
220.02759	1.8
221.19037	61.9
231.05026	2.5
239.19925	2.1
243.11427	2.3
243.67470	2.2
244.61305	2.1
249.06038	3.3
257.12775	5.8
294.10248	2.1
308.34058	1.8
309.12405	2.7
332.14023	2.4
337.12201	2.2
346.15320	3.6
346.19336	3.6
347.16272	5.7
360.17017	3.6
369.14737	2.1
374.14728	3.3
388.16245	2.5
397.13913	2.4
402.14322	2.1
406.17569	7.1
417.16565	2.4
432.15521	2.4
434.17432	9.2
449.19385	12.5
462.20349	12.8
490.19812	100.0
491.20303	2.2
522.21985	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43334	0.5
53.03938	0.7
55.01882	0.7
55.05276	0.8
55.05516	11.9
57.03189	0.7
57.03440	7.5
57.07064	1.7
60.04528	1.2
60.08168	4.6
61.08503	0.8
61.83920	0.5
65.03920	0.9
65.48598	0.4
67.05508	26.3
69.03416	0.6
69.07073	15.3
70.06599	0.5
70.70245	1.1
71.05001	0.8
71.07364	1.3
71.08614	0.9
74.51802	0.5
79.05486	6.4
81.07061	26.6
83.04976	0.9
83.08624	8.1
85.06548	0.8
85.66444	0.5
86.09715	11.8
87.09531	0.5
87.10020	2.8
88.04002	5.8
91.04041	0.5
91.05487	5.2
93.07046	7.6
95.04968	0.6
95.08611	17.9
97.06519	1.2
97.10157	4.0
98.21551	0.5
98.98468	5.5
104.10749	21.3
105.07052	3.4
105.10458	0.9
105.11079	5.3
106.05000	2.2
106.11259	0.9
107.08589	4.0
109.10167	7.9
111.08111	0.6
111.11703	0.7
114.26176	0.5
119.08569	3.1
121.10145	3.3
123.08080	0.6
123.11738	3.1
125.00010	6.3
126.00346	1.0
127.00391	0.5
133.10120	2.6
135.11685	2.2
137.13234	1.0
143.78477	0.5
145.10130	0.7
147.11690	1.5
149.13254	0.9
151.14833	0.8
155.00972	0.6
157.10211	0.8
161.13264	1.2
167.94002	0.5
173.02142	1.4
175.14864	0.7
184.07356	18.1
185.07695	7.7
186.07808	4.8
260.05325	0.9
263.23749	1.4
335.26028	0.5
337.27377	100.0
338.27567	1.0
350.26840	2.9
453.80969	0.5
504.33334	2.5
522.34540	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	522.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43334	0.5
53.03938	0.7
55.01882	0.7
55.05276	0.8
55.05516	11.9
57.03189	0.7
57.03440	7.5
57.07064	1.7
60.04528	1.2
60.08168	4.6
61.08503	0.8
61.83920	0.5
65.03920	0.9
65.48598	0.4
67.05508	26.3
69.03416	0.6
69.07073	15.3
70.06599	0.5
70.70245	1.1
71.05001	0.8
71.07364	1.3
71.08614	0.9
74.51802	0.5
79.05486	6.4
81.07061	26.6
83.04976	0.9
83.08624	8.1
85.06548	0.8
85.66444	0.5
86.09715	11.8
87.09531	0.5
87.10020	2.8
88.04002	5.8
91.04041	0.5
91.05487	5.2
93.07046	7.6
95.04968	0.6
95.08611	17.9
97.06519	1.2
97.10157	4.0
98.21551	0.5
98.98468	5.5
104.10749	21.3
105.07052	3.4
105.10458	0.9
105.11079	5.3
106.05000	2.2
106.11259	0.9
107.08589	4.0
109.10167	7.9
111.08111	0.6
111.11703	0.7
114.26176	0.5
119.08569	3.1
121.10145	3.3
123.08080	0.6
123.11738	3.1
125.00010	6.3
126.00346	1.0
127.00391	0.5
133.10120	2.6
135.11685	2.2
137.13234	1.0
143.78477	0.5
145.10130	0.7
147.11690	1.5
149.13254	0.9
151.14833	0.8
155.00972	0.6
157.10211	0.8
161.13264	1.2
167.94002	0.5
173.02142	1.4
175.14864	0.7
184.07356	18.1
185.07695	7.7
186.07808	4.8
260.05325	0.9
263.23749	1.4
335.26028	0.5
337.27377	100.0
338.27567	1.0
350.26840	2.9
453.80969	0.5
504.33334	2.5
522.34540	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	522.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.0
56.05037	1.3
61.05127	0.3
65.03944	0.9
65.84265	0.3
67.05505	2.0
69.03447	2.1
69.07073	1.3
70.06604	3.3
71.05006	0.8
71.51521	0.3
72.08149	0.8
77.55856	0.3
79.05502	0.7
81.07057	1.3
82.06602	0.3
83.04996	1.6
84.04503	0.7
84.08154	20.9
85.02905	2.7
85.77345	0.3
86.09712	2.1
87.04459	0.5
91.05491	9.7
93.07051	1.1
95.08622	1.0
96.08140	0.7
97.02901	0.7
98.09686	2.3
98.52531	0.3
103.05467	0.3
105.07075	2.4
107.08643	1.5
108.08134	0.7
109.06516	0.4
109.10180	1.1
110.07155	0.3
110.09667	0.8
111.04462	1.6
115.03953	1.5
116.01646	0.4
117.07047	0.4
119.04955	22.8
119.08591	8.2
120.08123	2.0
121.10157	0.7
121.62963	0.3
122.05997	0.5
123.11732	0.6
124.07610	0.3
126.12808	14.9
127.03954	0.5
129.05498	0.7
133.04988	1.2
133.10155	3.0
135.11722	1.0
136.07605	0.7
138.09149	1.3
140.14369	0.8
144.13852	29.8
145.02882	0.5
147.04427	100.0
147.11713	0.7
147.96991	0.3
148.04782	0.5
150.09140	1.0
152.07030	0.6
158.15488	0.7
163.03871	0.4
164.07060	0.6
166.08656	1.2
172.03966	1.4
175.14836	9.5
177.05516	0.7
182.08118	0.7
193.15904	0.6
204.06587	5.6
207.13815	0.4
207.87836	0.3
211.16907	0.7
223.35774	0.3
233.10519	0.3
237.10454	0.3
249.10287	0.6
263.11798	1.7
264.12534	0.6
265.13455	0.6
279.11295	0.8
281.12802	0.5
287.05615	0.6
290.17532	16.3
291.11249	1.0
293.12988	0.6
297.12375	0.8
309.12537	1.9
319.10858	0.8
325.11774	0.4
330.18619	0.4
335.56271	0.3
337.11807	2.3
341.11441	0.4
355.12976	0.9
357.14575	0.7
369.14447	1.2
409.52335	0.3
434.85394	0.4
478.24408	3.6
490.20096	0.7
522.23212	27.4
531.45685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47892	0.2
60.86879	0.3
64.28168	0.2
65.03932	0.8
69.03439	0.3
70.06574	0.3
79.05487	1.0
80.05008	0.6
81.07053	0.7
82.06590	0.4
84.08139	0.3
85.02893	0.5
85.13512	0.2
87.23991	0.3
89.03928	0.7
92.04988	0.4
93.05775	0.9
93.07033	0.3
94.06563	2.6
95.08628	0.4
105.07017	0.9
106.06575	1.5
107.07347	7.7
108.08132	15.8
109.10126	0.3
110.06030	0.3
110.09691	0.3
115.07201	0.2
116.04991	3.2
118.06542	0.5
119.07030	0.3
120.04479	4.2
120.08128	1.4
121.08899	1.2
121.10046	0.3
122.06046	2.1
122.09683	14.8
127.03983	0.3
132.04410	0.4
132.08083	0.5
134.06030	0.8
135.06830	2.3
136.07574	1.8
138.05519	3.3
138.09126	0.5
144.04456	7.0
146.06033	3.2
148.03920	0.9
148.07584	0.8
150.05536	1.5
150.09154	100.0
151.09491	0.4
152.07066	0.3
160.03923	1.0
160.07507	0.3
162.05531	2.5
164.07088	0.8
166.05055	2.7
172.03949	28.1
174.05563	1.5
178.05066	0.3
180.06602	0.7
182.08249	0.3
183.91013	0.2
185.10857	0.3
186.05440	0.3
188.07114	0.8
190.05005	11.3
195.09314	0.4
196.09906	0.5
197.10661	0.6
198.07729	0.3
198.11517	0.2
204.06578	11.2
208.09866	0.4
209.10794	1.1
210.11411	0.3
211.08687	0.6
211.12296	0.6
211.16751	0.3
212.09406	1.8
213.10237	0.8
216.06558	1.5
218.04559	0.7
221.10736	0.5
222.07903	1.1
222.11497	0.5
223.08638	1.4
223.12343	0.7
224.09415	3.2
225.10240	2.7
226.10942	0.9
229.13414	1.1
231.14972	1.1
232.05920	0.3
235.08618	1.5
235.12392	0.6
236.09338	2.5
237.10249	10.2
238.11015	2.3
239.08218	1.3
239.11772	2.9
240.08989	0.3
240.12656	0.4
241.09714	2.2
248.09537	0.3
249.10278	1.4
250.07239	1.7
250.11115	1.2
251.08185	2.6
251.11836	7.3
252.08955	2.1
252.12582	1.3
253.09743	5.6
253.13316	0.7
255.11360	0.7
257.12845	3.7
260.05740	0.6
261.10190	0.8
262.11014	0.4
263.08289	0.4
263.11819	1.5
264.08786	1.5
265.09741	14.8
266.10495	2.9
267.11270	3.2
268.08478	0.5
269.12805	0.8
271.10773	2.0
277.09738	0.7
278.06647	7.1
278.10071	0.5
279.08194	0.3
279.11301	8.7
280.08475	2.1
280.12045	1.2
281.09299	1.4
281.12897	3.4
283.10828	6.5
283.13943	0.6
285.12372	1.6
289.09607	1.4
291.11325	1.0
292.08167	1.2
293.09229	18.9
294.09998	4.2
295.10843	1.5
296.11682	0.7
297.12354	4.0
299.10312	1.9
299.13425	0.4
300.11050	0.9
307.10748	3.6
309.12354	14.7
311.10376	2.8
312.11111	3.9
313.11835	4.7
323.10333	0.8
324.11047	0.5
325.11856	11.2
327.13385	1.4
332.17047	0.4
335.10272	6.6
339.09677	0.8
340.10623	3.2
341.11346	9.7
341.15091	2.3
353.11328	16.8
354.11673	0.3
373.14041	1.1
374.18573	0.3
385.13959	4.6
390.18182	0.3
402.18158	0.4
416.14917	0.3
418.21194	1.0
420.19232	0.7
421.19952	1.1
430.17822	0.5
444.19147	1.1
446.20663	1.3
448.18869	0.9
449.19482	6.0
462.20306	11.2
472.18707	5.8
490.19775	64.2
491.19888	0.9
494.22794	0.8
504.21161	0.6
522.22394	1.9
543.19250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35040	0.4
55.05500	0.6
61.02912	0.4
65.03927	0.8
67.05497	1.2
69.03420	0.6
69.07053	0.4
69.69078	1.5
70.06583	1.5
79.05513	0.8
80.05009	0.6
81.03390	0.5
81.05781	0.6
81.07044	1.2
82.06600	0.5
83.63918	0.3
84.08143	1.3
85.02894	0.6
86.09715	0.7
89.03912	0.7
91.05463	0.9
92.05017	0.7
93.05789	0.6
93.07024	0.6
94.06561	2.9
95.08633	0.5
98.09705	0.6
105.07016	2.0
106.06535	1.0
107.07338	7.2
107.08494	0.3
108.08121	14.1
109.10188	0.5
110.09680	0.9
116.04990	3.3
118.06543	0.5
120.04492	3.6
120.08080	1.5
121.06517	0.6
121.08900	1.1
122.06013	1.6
122.09670	14.7
129.10269	0.6
132.08134	0.6
134.06024	1.3
135.06810	2.5
136.07596	1.9
138.05518	2.7
144.04448	6.3
146.06024	3.2
147.04379	0.6
148.03938	0.8
148.07573	0.7
150.05525	1.4
150.09146	100.0
151.09543	0.5
152.07111	0.4
160.03909	0.9
162.05513	2.6
164.07089	0.9
166.04984	2.4
172.03940	25.8
174.05560	1.5
178.04939	0.4
184.07608	0.6
186.05536	0.4
188.07132	0.6
190.05003	10.5
196.09956	0.6
197.10762	1.0
198.11438	0.4
200.71007	0.5
204.06557	10.9
206.08273	0.4
209.10738	1.4
210.11464	0.4
211.12317	0.7
212.09447	1.6
213.10240	0.9
213.13850	0.4
216.06537	1.7
218.04536	0.6
220.09958	0.5
222.07895	0.6
222.11441	0.9
222.74757	0.3
223.08752	1.1
223.12326	0.9
224.09435	3.0
225.10240	2.5
226.10890	0.6
227.11713	0.6
229.13431	0.9
231.14954	1.4
233.10855	0.4
235.08704	1.4
235.12354	0.6
236.09372	2.2
237.10242	9.6
238.11012	1.9
239.08107	1.0
239.11819	3.5
240.08975	0.4
241.09648	2.4
249.10307	1.8
250.07401	1.6
250.11009	1.3
251.08092	2.0
251.11821	7.3
252.08865	1.9
252.12579	1.4
253.09764	4.5
253.13486	0.9
255.11295	0.9
257.12909	3.2
260.05637	0.5
261.10043	0.5
263.11789	1.5
264.08972	1.4
265.09729	13.1
266.10504	2.9
267.11258	3.5
268.08466	0.5
269.12921	0.7
271.10779	1.7
277.09778	0.5
278.06641	6.2
278.09830	0.5
279.11288	9.1
279.14380	0.5
280.08478	2.3
280.12070	1.0
281.09219	1.0
281.12903	3.5
282.10211	0.5
283.10757	4.8
285.12369	1.8
289.09735	1.0
291.11246	0.9
292.08273	1.2
293.09198	15.4
294.09933	5.0
295.10812	1.3
296.11636	1.2
297.12314	3.8
299.10297	1.4
300.11206	0.6
307.10709	3.8
309.08789	0.8
309.12341	14.4
311.10242	2.6
312.11176	3.2
313.11743	4.2
323.10233	0.8
325.11844	9.6
327.13406	1.5
335.10260	6.7
339.09787	0.5
340.10678	2.8
341.11353	8.8
341.15085	2.8
353.11310	16.9
367.13028	0.5
373.14087	1.5
385.13968	4.6
390.17972	0.4
402.17911	0.5
413.19611	0.5
418.21295	0.7
420.19128	0.6
421.20026	1.2
434.20749	0.7
444.19330	0.8
446.20688	1.1
448.18967	0.6
449.19537	6.7
462.20346	10.2
472.18689	5.2
490.19748	63.3
494.22708	0.8
504.20880	1.3
522.22125	2.4
522.28729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
56.05025	0.4
59.91482	0.2
62.73156	0.2
65.03942	0.7
67.05494	0.2
68.05032	0.5
69.03426	0.7
69.85577	0.9
70.06587	2.0
72.08157	0.7
73.02889	0.2
74.06078	0.3
74.76012	0.2
81.03422	0.2
84.04494	0.3
84.08152	1.6
85.02895	0.8
86.06068	0.6
86.09696	0.6
91.05487	6.1
97.02882	0.5
98.21437	0.2
104.14566	0.2
110.07175	0.4
114.05539	2.5
115.03967	0.3
119.04950	16.6
126.57081	0.2
127.03900	0.4
129.10258	0.7
130.05032	0.3
130.06516	0.3
136.07605	0.8
145.02858	0.2
147.04416	100.0
148.04771	0.7
148.06142	0.2
155.08174	0.2
159.09204	0.5
163.03926	0.4
165.05533	0.2
175.08899	0.2
177.05499	0.5
187.10683	0.2
197.05679	0.2
264.42078	0.2
266.32214	0.2
291.08472	0.3
309.09729	0.8
321.12311	0.2
325.09198	1.2
343.10333	0.5
394.17169	0.2
423.55655	0.2
522.33142	0.2
528.49158	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17088	1.1
53.03946	3.1
55.01865	2.9
55.05515	27.7
57.03446	18.0
57.07078	13.0
67.05240	1.3
67.05508	13.2
69.03423	1.6
69.07071	30.3
69.16513	12.0
71.08635	6.6
79.05493	12.8
81.03423	83.5
81.07056	14.6
83.04992	4.5
83.08624	32.0
85.02920	2.0
85.10205	2.2
91.05476	18.4
93.07056	11.1
95.04971	18.3
95.08600	10.4
97.02892	1.8
97.06524	2.5
97.10174	14.9
98.21551	2.5
105.07045	14.2
107.04971	5.0
107.08579	5.1
109.06477	1.6
109.10200	2.5
111.04458	1.4
111.08082	4.5
111.11724	3.9
115.02203	1.2
117.06985	1.9
119.08590	11.1
121.10123	6.8
123.08063	1.9
123.11708	1.7
125.09623	1.4
129.06979	7.2
131.08542	7.4
133.06502	2.2
133.10121	3.2
135.11678	3.1
137.09636	1.5
140.88161	1.1
145.10066	1.3
147.08060	3.6
147.11702	6.1
149.09607	3.2
157.10150	8.5
163.11223	2.3
165.12674	1.6
175.11249	7.0
191.10657	1.2
193.12250	37.5
205.30536	1.3
211.13300	5.0
227.12648	1.9
249.14879	2.4
267.15936	100.0
311.25818	63.8
429.33737	3.2
503.37277	34.4
503.67337	1.4
521.38373	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	520.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55276	1.0
55.05515	5.0
56.05014	1.3
57.07064	3.2
57.55042	0.9
59.04993	1.9
67.05508	8.5
68.05022	1.3
69.03425	2.7
69.06741	1.3
69.07081	21.7
69.86282	4.2
70.06604	5.2
71.04974	1.0
72.08140	2.2
79.05499	4.4
81.03412	1.1
81.06597	1.7
81.07065	32.7
83.08630	5.7
84.04487	1.1
84.08142	3.3
85.02895	1.9
85.06552	5.0
85.43044	1.1
86.09714	2.7
91.05488	3.9
93.07048	8.9
95.04958	2.0
95.08618	26.5
97.02879	1.4
97.06516	1.1
97.10191	2.5
98.09655	1.3
105.07042	7.3
107.08607	11.4
109.06513	1.3
109.10172	16.3
109.31201	0.8
110.07193	1.3
111.11720	3.9
113.09689	1.2
119.08578	6.0
120.08096	1.6
121.06526	6.0
121.10151	11.1
123.08066	1.0
123.11717	22.6
129.10254	1.3
131.08543	1.5
133.10136	5.5
135.11688	8.2
136.06219	1.1
137.13281	21.9
139.11191	2.2
145.10158	2.2
147.11653	3.7
149.13263	5.1
157.10130	1.3
161.09706	1.5
161.13214	2.6
163.11182	1.0
163.14807	2.8
165.12697	1.4
173.13199	1.0
174.09270	1.0
175.14865	1.9
179.17894	1.1
181.12248	3.8
189.16316	1.4
191.14336	1.0
191.17880	0.9
247.20610	1.9
259.24188	1.6
269.22418	1.7
277.25363	1.4
287.23676	8.0
290.54187	1.1
305.24774	100.0
310.25330	1.2
311.25632	1.4
323.25870	4.6
375.14496	1.0
416.16855	1.0
445.22537	1.0
459.29745	2.7
520.29315	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	520.34
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54029	0.1
53.01651	0.1
55.05512	0.9
56.05036	1.1
56.48690	0.1
56.73977	0.1
57.03425	0.2
57.07082	0.2
58.06561	1.1
59.07380	0.3
60.08166	13.2
61.02926	0.2
62.42138	0.1
64.61188	0.1
67.05509	3.3
69.07072	1.3
69.32732	0.6
69.33163	0.4
70.06597	0.3
70.63376	0.1
70.83957	0.1
71.07378	5.5
79.05492	1.0
80.05747	0.1
81.07055	2.9
83.08621	0.5
85.02894	0.2
85.06451	0.1
86.09709	46.3
91.05473	0.7
91.22224	0.1
93.07042	1.2
95.04960	0.2
95.08612	2.0
97.10182	0.3
98.21584	0.2
98.98470	3.7
104.10748	64.5
105.07026	0.5
107.08590	0.6
109.10144	0.7
119.08597	0.3
121.10155	0.4
123.11731	0.2
125.00008	26.9
133.10135	0.2
135.11710	0.3
143.01038	0.2
163.01588	0.4
166.02628	0.1
184.07344	100.0
185.07671	0.2
209.69423	0.1
215.79929	0.1
231.21066	0.2
249.22162	0.4
258.11032	0.6
275.23325	0.1
292.19937	0.2
297.09955	0.1
323.25836	0.2
337.27399	0.9
443.25574	0.2
502.26849	0.1
502.32874	5.8
520.33997	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	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69098	0.1
55.05502	0.3
56.05030	0.5
56.63800	0.1
57.03431	0.1
58.06304	0.2
58.06618	0.4
59.07386	0.1
60.08164	6.3
67.05508	0.7
69.07064	0.3
69.85809	0.4
70.06596	0.1
71.07376	3.0
79.05492	0.2
81.07059	0.6
82.48920	0.1
83.08618	0.1
86.09707	29.5
91.05476	0.1
93.07078	0.2
95.08619	0.3
98.26154	0.1
98.97950	0.1
98.98466	2.8
104.10746	2.9
109.10148	0.2
116.99487	0.1
119.08650	0.1
122.61852	0.1
123.11749	0.1
125.00005	20.7
143.01035	0.1
166.02698	0.1
166.06274	0.1
184.07343	100.0
185.07747	0.1
258.11038	0.2
324.93826	0.1
326.33716	0.1
328.31479	0.1
337.27289	0.3
403.82935	0.1
502.32999	1.1
520.34045	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	520.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
55.01866	1.0
55.05526	6.4
56.05033	1.8
56.35065	1.0
57.03431	2.7
57.07090	1.3
59.05011	1.3
61.02919	1.5
67.01881	5.0
67.05517	6.9
68.71907	1.0
69.03091	1.3
69.03438	20.3
69.07073	9.3
69.26807	8.9
70.06602	9.6
71.05013	7.9
72.08149	2.7
74.06030	1.1
79.05511	7.2
80.73095	1.1
81.03426	31.6
81.07059	13.8
83.04978	1.7
83.08638	5.2
83.12062	1.0
84.04510	1.7
84.08155	7.3
85.02448	1.1
85.02917	16.7
85.06523	1.8
85.08440	0.9
86.09704	6.1
87.00822	4.7
90.50542	1.1
91.05470	6.1
93.07059	12.1
95.04967	4.0
95.08617	19.7
96.08155	1.0
97.02902	48.9
97.06530	2.1
97.10162	2.7
98.06021	1.6
98.09734	1.8
98.21557	2.2
99.04457	12.6
103.03940	1.1
103.88618	1.0
105.01870	3.4
105.07058	7.5
106.80058	1.0
107.08607	24.7
108.04505	1.3
108.08905	1.8
109.02891	32.5
109.06522	2.5
109.10162	8.9
110.05991	1.0
110.07151	1.5
111.08099	2.7
113.09705	1.5
115.03932	2.1
117.07069	1.1
119.04984	1.2
119.08553	2.9
120.08105	2.8
120.23827	1.0
121.06516	3.9
121.10156	37.5
123.11722	2.8
125.09673	2.5
127.03931	100.0
128.04306	1.0
129.10258	3.0
131.08571	2.3
131.19662	1.0
133.10112	4.7
134.05998	1.0
135.11697	8.9
136.07555	3.1
137.13272	3.0
138.09151	1.2
143.10622	1.3
145.04982	3.8
145.10115	1.7
147.04439	2.5
147.11650	2.9
148.07562	2.3
148.12019	1.4
149.09637	2.3
149.13245	3.0
153.12801	1.1
154.13100	1.4
159.11732	1.4
163.11179	2.2
169.05019	1.5
173.09535	1.0
177.16409	45.5
184.07359	2.7
187.06039	19.4
189.16444	1.0
190.16725	1.1
191.14345	1.5
195.17467	3.8
206.08276	1.1
209.15381	2.9
213.03978	7.3
217.15814	1.2
218.16273	2.9
226.17946	2.3
227.12694	1.2
231.05063	6.1
237.18451	1.9
248.58028	0.9
253.18079	1.5
273.06119	2.7
279.11227	1.3
291.07004	6.9
307.10159	1.2
339.13608	1.7
351.09390	1.3
442.85379	1.1
484.21909	1.5
488.17914	1.8
520.20050	12.2
520.32391	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
55.05510	1.8
56.05038	1.7
57.03433	5.0
57.07069	1.0
58.99583	1.1
59.05000	2.4
61.02915	1.7
62.79535	1.0
65.03945	1.1
67.05513	5.2
69.03433	18.5
69.07060	3.5
70.06602	12.0
70.25186	1.0
71.05009	5.0
71.52118	1.5
72.08162	5.1
73.02915	2.3
74.06029	0.9
76.02232	1.5
79.05487	4.1
81.03409	1.3
81.07059	6.1
83.04996	1.2
83.06091	1.2
83.08627	1.1
84.04494	4.5
84.08143	10.2
85.02911	14.5
85.06534	3.7
86.09713	10.5
87.04472	12.5
91.05482	6.1
93.07051	6.7
95.04978	4.7
95.08609	5.8
97.02902	14.8
97.06531	2.9
98.09727	2.4
103.05503	0.9
104.10715	1.8
105.07040	14.4
107.08608	9.4
109.06523	52.5
109.10154	12.9
109.60221	0.9
110.06021	1.0
110.07138	1.7
111.08124	2.2
114.05544	2.0
115.03931	15.8
116.01654	2.3
116.67506	1.1
117.07002	3.0
119.08601	4.9
120.08104	9.7
121.06485	2.2
121.10149	4.7
123.08111	4.7
123.11684	1.3
124.07617	1.1
125.00040	1.3
125.09665	1.0
127.03899	2.2
127.11195	8.0
129.10233	5.7
131.08585	19.6
133.04980	13.9
133.09123	2.4
133.10136	49.0
135.08066	20.9
135.11684	2.2
136.07599	1.9
140.14307	1.2
143.08527	1.9
145.10114	6.6
147.04367	1.1
147.11725	5.6
149.09595	2.8
149.13249	2.4
150.07649	2.3
153.09113	2.4
157.10089	1.3
158.10910	2.5
159.11647	3.3
161.13269	1.4
163.11166	1.7
171.11661	3.7
173.13278	38.1
175.14833	2.6
179.04796	1.3
184.07373	8.0
185.13258	4.0
191.14316	100.0
201.16359	3.2
209.15376	48.0
213.16449	1.3
242.14977	1.4
243.13446	1.2
269.22699	3.6
287.23737	7.7
288.16354	1.3
295.10071	1.0
305.24792	9.3
341.15778	1.2
346.26837	1.1
373.17844	7.1
451.44513	1.2
502.23553	1.0
520.20313	4.7
520.29053	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.2
55.01843	0.6
55.05519	6.5
56.04996	0.8
57.03442	6.6
57.07032	0.7
58.06573	1.1
59.36360	0.5
60.04492	0.7
60.08165	10.5
60.97947	0.5
61.02903	0.8
61.08453	2.1
64.66747	0.5
65.03918	1.2
66.95049	0.5
67.05505	30.2
68.05815	1.0
69.07074	7.6
70.06568	0.7
70.70815	1.2
71.07376	4.1
72.07662	0.7
79.05493	15.1
80.05791	0.6
81.07056	24.6
83.04923	0.8
83.08614	2.9
85.06514	1.2
86.09705	27.2
87.09492	0.8
87.10030	8.3
88.04000	5.2
91.05472	7.5
92.15030	0.6
93.07043	16.8
95.04932	1.5
95.08605	18.7
96.04425	0.6
97.02788	0.7
97.06508	0.9
97.10158	1.3
98.98486	6.4
100.22628	0.6
104.10745	47.7
105.04513	0.7
105.07034	4.2
105.11074	16.1
106.04980	1.5
106.11213	2.9
107.08595	7.0
109.06473	1.3
109.10148	7.5
111.08041	0.9
117.06980	1.6
119.08595	3.0
121.06496	0.6
121.09361	0.5
121.10146	6.3
123.11670	2.2
124.99126	1.0
125.00003	16.2
126.00301	2.1
127.00446	3.6
131.08525	1.9
133.10083	1.7
135.11743	2.9
137.13223	1.0
145.10077	1.6
147.11656	1.4
149.13208	1.5
150.38219	0.7
159.11656	0.9
161.13313	0.8
163.01477	0.6
163.14827	0.7
167.44196	0.5
173.02051	1.7
173.11777	0.6
173.13245	0.9
176.56302	0.5
184.07341	39.5
185.07686	14.2
186.07773	9.9
261.22256	1.4
292.19943	1.0
335.25797	100.0
347.66077	0.6
348.25397	1.4
502.32062	7.2
520.33057	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01879	6.5
55.05513	29.3
57.03421	1.9
57.07079	8.9
62.54664	0.7
65.03933	1.1
65.41512	0.7
67.05511	18.9
69.03421	0.9
69.07072	27.3
71.04985	2.3
71.08635	5.3
71.51952	0.6
71.52340	1.1
73.02926	1.1
79.05497	23.0
81.03410	1.6
81.06588	1.4
81.07059	22.3
83.04990	3.9
83.08625	29.0
85.10180	1.7
91.05483	8.1
93.07050	41.1
95.04971	5.2
95.08613	36.2
97.02896	3.6
97.06534	4.4
97.10172	12.7
99.04494	4.5
104.56619	0.8
105.07031	8.0
107.04955	7.3
107.08601	28.2
109.06500	1.4
109.10176	4.5
111.04435	1.3
111.08100	1.4
111.11724	4.5
117.07027	10.1
119.08588	9.4
121.06513	6.5
121.10145	13.4
123.11741	1.5
125.05997	3.0
125.09647	0.8
130.07817	2.0
131.08554	0.7
133.10133	2.9
135.08090	1.9
135.11697	44.7
135.88869	0.7
137.13191	1.1
139.07483	0.7
143.08582	1.8
145.10135	27.5
149.13326	0.9
151.11111	0.9
155.08615	0.8
163.11186	55.1
173.09598	0.7
173.13252	0.8
181.12244	10.2
209.11693	2.5
226.40483	0.8
227.12790	88.0
228.13145	1.2
237.22147	11.0
342.43527	0.8
359.46674	0.7
519.36749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82128	1.2
53.03942	4.2
55.01874	1.5
55.05508	1.5
57.03436	2.0
57.36145	1.4
61.02932	2.8
67.05503	4.5
69.03436	12.9
69.07072	3.5
70.06599	4.8
70.45443	3.8
71.04993	16.2
73.02906	1.9
73.79491	1.2
79.05478	2.5
81.03421	13.0
81.07072	7.0
83.04991	1.4
83.08619	1.6
84.08148	2.5
85.02913	80.8
86.09724	2.1
93.07052	3.1
95.08600	6.8
97.02908	13.9
97.06520	1.8
99.04468	43.1
99.05117	2.3
103.03952	100.0
103.10266	1.3
107.08613	3.3
109.02897	15.0
109.10156	4.3
109.10844	1.3
113.09679	4.2
115.03867	1.6
119.08611	1.4
120.08105	1.7
121.10172	2.5
123.11722	3.9
127.03931	98.0
145.04976	61.8
145.06140	2.1
145.10104	2.2
149.02394	3.7
149.13266	1.8
163.06033	43.4
184.07326	1.8
187.06059	5.7
193.04976	2.7
195.17482	22.4
205.07086	4.0
237.07562	2.6
243.68596	1.7
252.21718	1.3
271.08112	4.4
289.09167	2.7
289.25140	2.2
296.67310	1.3
299.06140	1.6
307.10272	5.8
419.01898	1.5
501.25714	1.9
519.26263	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.4
53.03945	2.2
55.01877	2.7
55.05516	2.4
56.05028	0.6
57.03439	1.7
57.07058	0.4
67.05505	4.1
67.82942	0.3
68.05046	1.9
69.03433	7.1
69.07069	4.6
69.32592	2.4
69.32990	0.7
69.33141	0.3
70.06590	2.0
71.04998	7.7
72.08169	0.5
73.02924	0.6
79.05493	6.2
81.03424	14.4
81.06590	0.7
81.07061	13.0
83.04993	1.9
83.08613	0.5
84.04494	1.5
84.08142	1.6
85.02914	2.8
85.06550	4.1
86.06079	0.7
86.09712	1.3
87.52545	0.4
91.05468	3.8
93.07050	19.9
95.04977	2.7
95.08614	3.7
96.04501	9.1
97.02892	3.5
97.06534	5.9
98.20792	0.8
98.44832	0.3
99.04460	8.4
99.72689	0.4
101.06004	0.7
103.05472	0.5
105.07041	15.9
107.04959	0.9
107.08599	23.7
108.04502	0.7
109.02136	0.8
109.02883	16.2
109.06521	4.9
109.10184	1.2
110.06057	0.3
111.04459	0.8
111.08089	3.0
111.41008	0.4
113.06017	3.1
114.05536	100.0
115.20119	0.3
117.07018	1.9
119.08582	6.7
120.08128	0.4
121.06519	8.8
121.10148	21.5
123.04434	0.5
123.08078	3.0
123.11753	0.6
123.78609	0.4
127.03924	14.7
127.07547	1.1
129.10266	0.7
130.07785	0.9
131.08586	2.1
133.06505	0.5
133.10127	1.2
135.04381	0.5
135.08069	4.5
135.11687	7.1
137.06041	0.3
137.09621	1.1
139.07532	0.8
139.11206	1.6
143.08594	1.2
145.04985	0.9
145.10133	16.9
147.08015	0.6
147.11668	2.0
149.06006	1.3
149.09631	7.8
151.07582	2.0
155.08499	0.5
155.37653	0.3
156.06581	2.4
161.09657	1.4
163.11186	44.1
165.09143	0.8
167.07028	0.4
167.10690	12.0
169.08615	13.6
173.09665	4.3
181.12251	8.8
185.11766	3.5
187.11272	0.4
189.09029	0.6
191.10678	28.0
203.17763	0.4
207.10255	0.4
209.11742	23.1
210.00444	0.4
227.12791	45.2
228.13332	0.5
228.19957	0.4
243.13725	0.5
245.13901	1.2
251.12949	0.4
253.12469	0.4
269.13849	7.3
271.06079	1.8
271.13324	1.4
287.05371	0.5
289.14444	2.8
299.12592	2.1
311.14642	0.5
317.13831	3.5
321.24286	0.4
325.45490	0.4
335.14871	4.7
339.25290	0.7
353.15958	20.6
371.17059	12.9
371.21765	0.8
389.17883	2.1
470.50070	0.4
484.21884	3.4
502.22867	10.0
519.20129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.7
55.05498	10.3
56.05029	11.6
57.03440	5.8
57.07072	2.6
60.04518	5.9
62.93701	3.2
67.05505	20.6
68.05016	3.5
69.03436	8.7
69.07063	4.0
70.02961	4.1
70.06598	85.8
70.62485	5.5
70.62881	5.1
71.05004	2.7
71.06931	7.5
72.08160	45.8
73.02921	2.9
73.08457	3.4
74.06080	6.7
79.05500	3.5
81.03404	2.7
81.07051	4.6
82.06555	2.6
84.04511	21.1
84.08151	57.3
85.02903	14.1
85.06535	9.8
85.07701	2.6
86.06066	5.8
86.09709	50.6
86.10197	5.2
87.05574	3.8
87.10046	5.8
88.03991	3.3
91.05469	4.8
93.07057	7.4
95.08611	74.0
96.08114	2.9
97.02891	8.5
98.09701	14.8
101.07156	3.6
102.05562	7.7
105.07059	6.6
107.08605	10.7
109.06487	4.2
109.10139	3.4
110.06078	3.2
110.07165	11.5
113.06030	8.5
114.05552	4.9
115.03951	4.0
115.08697	5.5
117.07038	3.4
119.04923	3.1
119.08570	16.3
120.08096	14.3
121.06474	3.2
121.10143	5.9
123.08080	25.8
123.08921	3.1
123.09206	2.2
127.08656	3.6
129.06714	3.6
129.10236	31.8
132.10202	2.7
132.29794	2.9
133.05046	2.9
133.10162	3.0
135.11676	13.1
136.07585	11.5
137.05937	5.9
140.14351	7.3
143.11758	3.2
145.04904	3.0
147.04462	4.1
147.11714	5.0
148.03940	3.2
149.09628	30.2
151.07588	3.4
156.07813	3.6
159.11292	5.9
161.13268	9.8
163.11192	10.2
163.12468	2.9
165.12767	8.1
166.05153	3.1
167.05501	3.7
169.06259	3.0
171.11649	4.4
173.12952	4.1
179.14279	5.0
185.16583	3.7
187.10895	3.2
189.12766	16.1
207.13808	100.0
214.08876	3.4
225.10194	3.3
225.14729	13.2
226.08600	8.2
226.10638	3.8
227.09035	8.0
240.10036	2.7
243.11272	17.9
244.11681	20.4
261.12436	3.6
262.12717	3.3
412.75000	5.7
450.51569	2.8
502.17340	3.0
504.59006	2.8
519.21777	63.7
519.29498	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	519.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33901	0.5
53.03932	0.7
55.01880	0.5
55.05513	1.1
56.05029	1.9
58.62304	0.5
59.24920	0.5
60.04519	0.8
61.02921	1.6
67.05497	1.5
68.05017	0.9
69.03423	3.1
69.07048	1.1
70.06599	15.4
71.04993	1.2
71.06908	1.0
71.51486	1.0
72.08159	5.5
73.42305	0.5
74.06057	1.5
74.92475	0.4
79.05484	1.2
80.05010	0.9
81.03410	1.3
81.07075	1.1
82.06599	0.7
82.45602	0.5
83.06088	0.7
84.04513	2.7
84.08150	8.9
85.02905	4.3
85.08475	0.7
85.92223	0.5
86.06065	1.1
86.09707	8.9
87.10044	1.1
90.36933	0.5
91.05472	1.9
93.07038	0.9
94.06579	1.4
95.04957	0.6
95.07356	1.3
96.04502	0.8
96.08134	2.4
97.02883	1.5
97.06508	1.2
98.09703	4.4
98.65812	0.5
102.05556	1.1
102.33054	0.5
105.07011	1.7
108.08111	1.3
109.02885	1.1
109.06487	0.6
109.10116	0.5
110.07168	1.8
110.09667	4.1
115.08734	0.7
116.04986	4.4
119.08589	1.0
120.08105	5.9
121.10086	0.6
122.06039	3.5
127.03912	1.0
129.10248	3.6
133.10187	0.7
136.07596	5.1
137.05998	0.6
137.09552	1.6
138.05476	0.5
138.09160	4.5
140.14349	1.0
141.10117	0.5
143.11748	0.9
144.04457	9.5
145.04985	0.6
146.06000	1.1
147.04428	1.5
147.07983	0.8
147.11679	1.8
147.58508	0.6
148.03918	1.0
148.07565	1.6
149.09695	0.8
151.07524	1.1
151.11188	0.7
162.05582	3.3
165.12776	0.7
166.08650	10.4
172.03946	53.9
173.12878	0.7
174.05505	1.0
187.10793	2.0
190.04996	7.0
202.12596	0.5
204.06573	100.0
205.06985	0.6
207.13753	1.4
222.07770	0.8
225.14857	18.2
232.09932	0.5
237.89224	0.6
279.11313	1.1
299.06204	0.6
325.11774	1.6
329.14960	1.6
334.09140	1.4
339.13358	1.7
357.14478	12.4
487.16669	1.0
501.17999	0.8
519.20325	1.2
519.28271	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.2
56.05039	0.5
57.03432	0.2
58.06625	0.5
59.07392	0.2
60.08166	5.7
63.74075	0.1
67.05512	0.6
69.07077	0.1
69.94016	0.3
70.06609	0.1
71.07375	3.1
77.32467	0.1
79.05489	0.3
80.97431	0.1
81.07043	0.4
84.27025	0.1
86.09708	31.8
87.10008	0.1
91.05491	0.2
93.07046	0.3
95.04970	0.1
95.08630	0.3
98.98468	3.4
104.10745	2.8
107.08596	0.1
109.10162	0.1
121.10146	0.1
125.00007	22.5
142.92729	0.1
143.01044	0.1
155.85892	0.1
163.01567	0.1
166.06352	0.1
184.07343	100.0
185.07719	0.3
258.11020	0.2
310.44812	0.1
316.08594	0.1
335.25864	0.2
500.31366	1.2
518.32440	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	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
56.05032	1.0
57.03434	0.6
58.06583	1.3
59.07389	0.5
60.08167	16.6
67.05506	2.8
69.07063	0.6
70.06593	0.3
70.68343	0.4
70.68685	0.6
71.07378	6.3
72.39770	0.2
79.05495	1.8
81.07056	1.8
86.09709	49.9
91.05483	0.9
93.07053	1.6
95.08625	1.3
98.98472	3.5
104.10750	100.0
105.06998	0.4
106.41862	0.2
107.08609	0.5
109.10195	0.5
119.08576	0.4
121.10160	0.4
125.00010	28.0
133.10156	0.3
141.54343	0.3
159.11787	0.2
163.01575	0.5
184.07349	91.6
185.07729	0.3
258.11032	0.9
276.85947	0.2
335.25726	0.7
344.13675	0.3
441.23947	0.3
500.31348	8.0
518.32465	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	518.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65565	2.9
53.78356	2.7
55.05513	41.5
55.70953	2.7
57.03432	13.1
57.07074	29.1
63.52663	2.6
63.92654	2.6
67.05497	19.5
68.05863	3.3
69.07061	9.0
71.08631	21.0
71.53218	4.8
77.98898	3.0
79.05492	11.9
81.07063	18.8
83.08617	31.2
85.10176	11.1
86.62257	2.9
93.07043	4.0
95.08636	16.9
97.10170	53.0
100.02320	3.0
107.08616	18.2
109.10151	10.2
125.09641	53.5
135.08049	6.1
139.36801	3.6
143.10675	3.8
152.01608	2.7
153.09106	4.1
171.10175	6.8
189.11226	35.8
227.12781	98.5
227.14973	6.5
245.13860	100.0
313.27368	92.9
389.36386	3.0
483.36838	57.0
501.26254	3.1
518.39032	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	518.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
53.32864	0.3
55.01875	1.0
55.05515	0.8
57.03439	0.3
58.98154	0.4
58.99409	0.4
59.05012	0.3
61.02916	0.8
67.05508	1.0
69.03437	2.3
69.07066	1.5
69.23251	0.9
69.23669	2.6
70.06598	0.4
71.05003	0.7
74.56551	0.4
79.05509	1.9
80.05000	0.4
81.03411	2.8
81.07072	2.8
83.01348	0.4
83.04998	0.4
84.04505	4.3
84.08179	0.5
85.02903	1.2
85.06533	1.0
86.02458	0.5
91.05478	1.1
93.07047	5.7
93.12775	0.4
95.04994	0.7
95.08622	0.7
97.02870	0.7
97.06540	1.4
99.04450	1.9
100.03981	1.9
105.07048	3.9
107.08594	6.3
108.04477	1.5
109.02879	3.3
109.06526	1.2
111.08077	0.9
112.03967	2.1
113.05987	0.5
114.05517	0.4
117.07003	0.8
119.08566	1.9
121.06515	2.0
121.10156	5.2
123.08092	0.8
124.03950	4.4
126.05525	0.4
127.03909	3.6
127.07622	0.6
130.05011	100.0
131.08565	0.8
135.08072	0.5
135.11713	1.4
145.10130	4.4
147.11623	0.4
149.09625	2.5
151.07529	0.5
163.11192	10.9
166.05043	0.6
167.10689	3.1
169.08569	3.2
172.06027	2.2
173.09644	1.1
181.12248	2.8
185.11716	0.7
191.10655	7.2
209.11749	5.5
227.12791	11.4
269.13916	1.2
271.06058	0.5
284.86603	0.4
289.14386	0.4
335.14813	0.5
353.15875	2.6
371.17123	1.9
386.71518	0.4
460.26810	0.4
518.22333	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3892
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03942	2.1
55.01869	0.9
55.05513	14.9
57.03441	4.6
57.07062	1.7
65.03942	0.9
67.05509	25.9
69.07070	13.0
69.24857	8.2
70.41777	1.1
71.04993	2.0
79.05495	22.1
81.07056	29.7
82.87142	0.9
83.04963	1.1
83.08640	5.7
85.06554	1.5
91.05488	18.3
93.07051	23.6
95.04948	1.7
95.08614	25.7
95.12582	1.0
97.06523	2.6
97.10158	4.4
99.08099	1.1
103.05514	1.1
105.07037	21.5
107.08595	16.3
109.10160	13.3
111.08081	2.0
112.25521	0.9
117.07030	7.3
119.08588	23.2
121.06530	1.0
121.10150	15.0
123.11687	2.6
125.09616	1.3
128.06259	1.2
129.07030	4.5
131.08574	14.9
133.10147	19.2
135.07976	1.3
135.11691	10.3
137.09680	1.1
139.11227	1.4
143.08577	6.3
145.10130	14.6
147.11694	10.4
149.13271	6.0
155.08603	2.9
157.10135	5.8
159.11708	12.0
161.13269	5.9
163.14838	1.4
169.10127	2.7
171.11700	3.8
173.13261	7.0
175.14848	3.6
183.11713	2.5
185.13275	3.9
187.14882	4.1
189.16408	1.7
197.13301	2.2
199.14833	2.6
201.16467	2.1
203.17918	1.0
211.14792	1.6
213.14734	1.3
213.16505	2.2
215.17955	1.3
219.17392	1.2
241.17697	1.7
259.20667	3.4
261.22101	1.8
273.22101	1.7
287.23694	1.7
293.21008	1.0
299.23837	2.3
301.25366	1.3
305.24716	1.1
311.23767	1.1
313.25214	1.9
327.27023	1.4
333.24326	2.1
335.25763	1.2
393.48303	0.9
405.30292	1.3
407.28183	1.4
407.33170	3.3
419.31631	1.9
425.34204	11.9
443.35425	4.6
459.35175	1.1
461.36209	1.2
481.37021	1.6
499.37885	16.6
517.38947	100.0
518.39203	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	517.3892
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
55.01863	0.9
55.05515	8.1
57.03440	2.8
57.07075	2.9
65.03951	1.4
67.05509	21.0
69.07076	11.6
71.05007	0.9
71.08624	1.5
71.52248	1.0
71.52631	0.9
79.05496	15.6
80.38899	0.7
81.07065	24.6
83.08625	5.8
89.06035	1.3
91.05486	12.9
91.80753	0.8
93.07049	19.8
95.04996	1.8
95.08607	18.7
95.09190	1.5
97.06531	1.7
97.10184	3.4
99.08104	1.1
105.07032	15.5
107.08599	14.0
109.06497	1.2
109.10173	9.9
111.08082	1.2
115.05618	0.7
117.07023	5.7
117.93151	0.9
118.21742	0.7
119.08585	16.5
121.10147	12.4
123.08073	1.3
123.11709	2.0
123.16071	0.9
125.09668	1.2
129.07037	2.3
131.08572	10.5
133.08633	1.0
133.10133	12.3
135.08018	1.0
135.11690	7.9
141.06946	0.9
143.08575	4.0
145.10120	11.6
147.11699	9.0
149.13232	4.6
155.08582	1.8
157.10103	4.1
159.11676	9.1
159.12691	0.9
161.13251	5.2
162.68617	0.9
163.11166	1.4
163.14833	2.5
169.10092	2.1
171.11635	5.2
173.13281	6.5
175.14861	3.0
177.16461	1.4
183.11784	2.3
185.13300	3.5
187.14844	3.4
189.16350	1.3
197.13197	1.6
199.14838	2.5
201.16422	1.8
209.13268	1.3
211.14854	1.1
213.16525	1.2
221.13429	0.9
236.32991	0.9
241.17929	2.0
259.20596	1.9
273.22043	1.0
287.23782	0.9
299.23798	1.4
301.25272	1.2
313.25269	1.0
326.40027	0.9
327.26862	1.0
333.24319	1.4
349.24057	0.9
405.29874	1.7
407.28137	1.1
407.33252	2.5
425.34076	9.8
443.35138	4.1
499.37820	14.9
517.38898	100.0
518.39124	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3892
Annotation	3beta-Acetoxy-11alpha,13beta-dihydroxyolean-12-one
Peak:m/z	Relative Intensity
55.05507	17.0
57.07081	7.1
59.28539	4.3
65.12324	3.9
67.05515	33.8
69.07075	37.0
69.13752	40.6
71.04984	16.9
74.17521	3.8
79.05491	29.4
81.07056	59.0
83.08601	11.4
85.06526	5.7
88.48691	3.8
91.05460	25.3
93.07049	53.6
95.08608	59.4
97.06524	6.7
97.10143	6.5
99.08082	14.6
105.07027	45.7
107.08602	74.0
109.10176	41.6
111.08070	5.2
113.86584	4.0
117.07029	8.0
119.08595	54.0
121.10152	54.7
123.08069	9.9
123.11693	34.6
127.07574	10.6
127.11199	19.6
131.08562	17.1
133.10149	35.3
135.11687	51.8
136.22748	4.3
137.09561	4.4
137.13222	11.4
143.08563	5.0
145.10124	27.0
145.96506	5.4
147.11668	32.2
149.13264	44.3
153.12741	13.0
155.10739	4.8
157.10130	10.8
159.11707	25.2
161.13240	15.2
163.11194	4.7
163.14798	12.2
169.10191	4.7
171.11720	10.2
173.13281	14.6
175.14803	10.9
177.16396	6.2
179.14291	6.7
183.11725	5.1
187.14806	15.1
189.16409	25.6
191.17972	34.8
197.13255	4.6
199.14767	8.5
201.16380	12.0
203.18028	9.2
211.14841	5.5
213.16440	8.7
215.17932	7.1
217.19492	6.3
227.17976	5.5
229.19550	5.2
231.17372	4.8
235.16881	6.6
237.16475	5.9
241.19456	5.1
249.18544	7.1
280.04498	4.1
297.25562	5.5
299.23624	5.3
315.23172	4.6
317.24686	5.9
332.74774	4.2
373.27695	4.8
407.32962	5.0
421.34610	26.6
439.35776	53.0
457.36673	26.5
499.37851	100.0
502.74301	5.0
517.38885	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01866	0.8
55.05513	10.6
56.97052	0.4
57.03440	3.6
57.07065	1.6
61.78752	0.5
62.32357	0.5
62.91602	0.4
65.03939	1.5
67.05505	22.8
69.07069	10.5
69.51405	0.9
69.51803	3.0
71.04987	1.2
79.05495	16.2
81.07056	28.2
83.04977	1.3
83.08623	6.8
85.06541	1.7
89.06023	1.0
91.05479	15.6
91.06026	1.0
93.07045	23.2
95.04969	1.5
95.08607	22.4
97.06547	2.3
97.10188	3.0
103.05477	0.5
105.07033	18.8
107.08591	15.6
107.09316	0.9
109.06536	0.6
109.10150	10.0
111.08076	1.7
111.11735	0.5
115.05439	0.7
117.07014	6.6
118.67367	0.5
119.08583	17.6
121.06534	0.7
121.10136	12.3
123.08112	0.6
123.11716	2.8
125.09626	1.1
129.07008	3.8
131.08565	13.0
133.08620	1.1
133.10130	16.5
135.11707	7.6
137.09647	0.9
137.13219	0.8
139.11148	0.5
141.06999	1.2
143.08568	4.2
145.10126	14.3
147.08063	0.6
147.11687	10.6
147.12810	0.8
149.09605	0.6
149.13254	5.0
155.08533	1.0
157.10135	3.7
159.11693	9.7
161.13251	6.4
163.11192	0.8
163.14859	2.2
165.12735	0.8
169.10121	2.3
171.11678	4.5
173.13251	8.5
174.16931	0.4
175.11215	0.9
175.14806	3.1
177.12787	0.8
177.16414	1.2
177.78838	0.5
181.10297	0.5
181.12231	0.5
183.11702	1.7
185.13271	4.3
187.14790	3.9
189.16403	1.2
191.14326	0.6
195.11633	0.6
197.13301	1.7
199.14842	2.9
201.16400	2.2
203.18010	0.6
211.14856	1.5
213.14735	0.7
213.16478	1.2
215.17949	0.6
217.15929	0.8
219.17531	1.3
225.16501	1.2
227.16208	0.8
227.18211	1.1
229.19470	0.9
231.17517	1.0
233.19051	0.6
241.17981	1.7
245.19122	0.8
249.18503	0.6
259.20615	3.2
259.23108	0.4
263.20258	0.5
271.20609	0.6
273.22287	1.2
285.22168	0.8
287.23685	1.4
299.23730	1.6
301.21783	0.5
301.25323	1.3
305.24750	1.0
313.25311	1.3
315.22861	0.6
315.26630	0.7
327.26813	1.5
331.26163	0.7
333.24396	1.7
335.25616	0.6
351.26495	0.6
360.21011	0.8
361.27539	0.8
405.30139	1.4
407.28180	0.9
407.33130	3.4
419.31839	1.2
421.04459	0.5
425.34158	10.2
443.35309	4.9
461.36752	0.7
463.36102	0.6
481.36734	0.7
499.37854	16.3
500.37531	0.9
517.38867	100.0
518.39246	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
54.62211	1.0
55.01887	1.0
55.05514	11.4
57.03436	4.1
57.07067	0.8
65.03934	1.6
67.05510	25.2
69.07075	12.2
69.27682	8.4
71.04999	2.0
71.08616	1.4
79.05492	17.0
81.07061	29.3
83.04980	2.2
83.08624	6.8
85.06538	1.9
91.05483	17.6
91.93396	1.2
93.07047	23.6
95.04964	2.0
95.08613	24.0
97.06588	1.2
97.10175	2.9
98.21525	1.8
105.07043	22.3
107.08601	15.5
109.06525	1.6
109.10152	10.0
111.08135	1.6
117.07026	6.5
119.08598	19.0
121.10166	11.1
121.10973	1.8
123.08118	1.8
123.11739	4.5
129.07013	3.7
131.08574	15.0
133.10146	19.4
134.10519	2.3
135.08078	1.3
135.11703	7.7
137.13290	1.2
139.11217	1.5
143.08568	5.4
145.10132	15.5
147.08055	1.1
147.11710	10.5
149.09631	2.0
149.13264	5.6
155.08533	2.2
157.10129	5.3
159.11697	10.1
161.13249	6.9
163.11194	1.2
163.14845	2.5
165.12813	1.1
169.10129	2.6
171.11713	4.9
172.43555	1.1
173.13242	8.6
175.14816	1.9
181.10146	1.1
183.11804	1.7
185.13295	4.7
187.14804	4.7
189.16425	1.9
197.13367	2.2
199.14862	2.8
201.16429	2.4
213.16565	1.4
217.16020	1.3
219.17438	1.2
231.17780	1.3
239.18050	1.1
241.17836	1.3
244.21712	1.1
245.19229	1.4
259.20609	3.2
273.22070	1.6
287.23758	2.5
299.23849	1.9
300.20624	1.6
313.25296	1.6
315.23154	1.0
327.26846	1.2
342.35016	1.2
407.28271	1.2
407.33267	3.0
425.34143	11.3
443.35059	4.6
461.37268	1.1
481.36996	1.4
499.37924	15.1
517.38959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.9
55.05501	3.6
57.07080	16.0
57.59724	0.8
60.07484	0.8
61.01161	9.5
67.05506	8.7
69.07075	4.8
71.08635	13.0
71.52334	0.9
71.53087	1.2
72.04518	23.8
74.80239	0.9
77.61421	0.8
78.03795	16.2
79.05478	2.6
81.07053	10.2
83.08629	8.2
85.06539	1.7
85.10178	8.0
86.06033	0.8
88.02217	6.0
93.07044	2.4
95.04960	1.1
95.08612	13.7
97.10178	3.1
99.05564	3.3
99.11767	0.8
101.72858	0.9
102.03766	26.9
103.02171	1.3
105.07028	1.7
107.08591	1.7
109.10144	5.9
113.05995	2.2
114.03760	8.5
115.02153	1.1
119.08591	1.3
120.04826	4.7
123.11691	3.8
124.07611	2.1
128.59964	0.9
130.08670	1.0
131.06401	12.6
131.08511	1.2
132.04800	17.6
135.11638	1.5
137.13246	1.5
142.08659	7.0
145.10017	0.8
147.11697	1.2
149.07448	48.5
159.05852	3.6
184.09630	1.9
218.97232	1.0
239.23680	6.5
256.26297	1.8
261.12634	7.4
268.26340	3.2
306.25607	0.9
310.27390	39.4
387.30417	100.0
425.33636	1.3
499.35669	45.5
517.38934	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	517.389
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03937	1.8
55.01868	1.4
55.05511	9.2
57.03441	4.1
57.07081	2.1
58.38135	0.4
58.84190	0.4
63.21458	0.4
65.03938	1.2
67.05507	24.6
69.03418	0.5
69.06735	0.7
69.07074	10.1
71.04996	1.2
71.08608	1.2
73.23495	0.4
75.21525	0.4
79.05496	16.5
79.05971	0.8
81.07059	28.0
83.04971	0.9
83.08624	5.8
85.06541	1.4
87.04457	0.5
89.06013	0.5
90.67726	0.5
91.05483	14.7
93.07048	23.3
94.07382	0.4
94.43535	0.5
95.04954	0.8
95.08611	20.9
97.06535	3.0
97.10165	2.6
99.08070	0.6
105.07037	17.6
105.10690	0.4
107.04987	0.5
107.08604	14.2
108.06164	0.4
109.06537	0.5
109.10160	9.7
111.08083	1.8
111.11670	0.7
116.56377	0.5
117.07034	6.1
119.08590	17.6
121.06509	1.2
121.10157	12.4
123.08097	1.4
123.11703	3.2
125.09617	1.2
128.06219	0.8
129.07010	2.8
131.08569	12.6
133.10144	14.4
135.08150	0.4
135.11699	8.0
137.09634	1.1
137.13269	0.6
139.11179	0.5
141.07013	0.6
141.79987	0.4
142.07770	0.6
143.08562	4.9
145.10124	13.1
147.11687	10.8
149.09633	1.2
149.13263	4.2
155.08586	1.7
157.10126	5.1
159.11711	10.3
161.13257	5.1
163.11223	0.5
163.14810	2.3
169.10124	2.5
171.11656	4.8
173.13280	8.0
175.14803	3.4
177.12784	1.0
177.16484	0.8
179.95277	0.4
181.12105	0.4
183.11740	2.6
185.13266	3.7
187.14818	4.6
189.12741	0.5
189.16374	1.2
191.17928	0.5
195.11792	0.5
196.57532	0.5
197.13287	1.8
199.13269	0.5
199.14911	2.7
201.16447	1.9
203.14323	0.4
205.15904	0.5
207.17612	0.5
211.14857	1.0
213.14629	0.7
213.16420	1.9
215.18048	0.7
219.17497	0.9
223.16890	0.5
225.16336	0.9
227.18153	0.7
231.17461	0.6
235.78336	0.5
241.17667	2.3
253.19424	0.6
257.19028	0.6
259.20636	2.7
261.22284	0.7
273.22165	1.5
275.20035	0.5
277.21652	0.7
281.21213	0.5
285.22107	1.1
287.23676	1.4
289.21603	0.6
295.23053	0.5
297.22318	0.5
299.23761	2.0
301.25314	1.1
305.24771	0.5
311.23856	0.8
313.25354	1.2
317.24863	1.0
325.25555	0.6
327.26782	0.8
331.26529	0.8
333.24371	1.6
335.25809	0.7
337.25394	0.6
351.26505	0.5
355.26556	0.6
358.37622	0.4
360.21246	1.0
361.27496	0.8
379.29736	0.4
391.28510	0.7
393.26013	0.5
405.30124	1.1
407.27951	0.9
407.33160	3.6
419.31558	0.6
425.34140	9.6
443.35330	5.2
447.30887	0.9
459.34534	0.6
461.36542	1.2
481.36850	0.7
499.37845	15.7
517.38916	100.0
518.39246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.05515	21.8
57.03445	8.2
57.07079	9.6
61.02929	6.4
65.03935	3.4
66.34043	1.2
67.05509	82.9
69.03428	5.0
69.06732	2.0
69.07076	29.8
69.69911	1.2
71.05000	2.9
71.08639	6.6
75.04462	1.4
76.77417	1.3
79.05502	21.5
81.03419	2.3
81.07060	100.0
83.04987	3.0
83.08625	23.4
85.02909	5.8
85.06540	3.8
85.10165	3.5
91.03963	3.5
91.05479	22.9
93.06478	2.7
93.07049	32.1
93.07641	2.0
95.04980	3.6
95.08614	79.6
97.02902	3.9
97.06542	8.8
97.10180	12.4
98.21529	3.4
99.08095	5.6
105.07037	15.6
107.08600	21.3
108.94352	1.3
109.06545	2.0
109.10165	39.8
111.08076	3.7
111.11716	5.1
113.09630	2.3
117.07018	2.4
119.08599	16.5
121.06549	1.5
121.10155	23.5
123.08080	2.3
123.11727	20.7
125.09646	2.8
125.13287	1.5
127.11193	3.0
129.07022	1.4
131.08572	5.0
133.10138	17.7
135.11700	13.4
137.09624	2.0
137.13272	7.2
139.11237	2.0
141.12756	4.4
142.55727	1.5
145.10159	3.6
147.11703	11.1
149.09627	1.5
149.13242	11.6
151.14842	7.1
155.14305	4.8
159.11705	1.7
161.13277	16.3
163.14864	11.2
165.12744	3.7
165.16376	7.9
167.14302	1.6
171.53380	1.3
175.14864	10.7
177.16409	2.5
179.17911	6.8
189.16374	6.8
245.22664	57.7
247.24101	1.2
261.22220	1.3
263.23709	64.9
337.27371	56.1
355.28381	4.4
361.66626	1.5
371.25922	3.4
379.91412	1.5
389.26947	1.7
421.29855	1.4
463.30606	2.6
481.31683	2.2
499.32681	8.3
517.39087	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	517.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.1
55.01888	5.6
55.05512	29.6
56.56742	4.8
57.03429	10.0
57.07074	9.4
59.70213	4.6
61.02941	8.5
62.44496	4.9
65.43470	4.6
67.05505	79.8
69.03419	13.4
69.07072	39.6
71.08614	6.5
71.52285	9.5
71.52940	5.7
75.55407	4.1
79.05501	34.6
81.07056	100.0
83.08617	19.1
85.02905	11.7
85.06552	6.1
91.05472	27.9
93.07049	40.9
95.04987	10.1
95.08614	79.8
97.02879	7.7
97.06519	12.0
97.10152	13.4
105.07028	23.7
107.08587	21.2
109.06513	6.3
109.10157	45.5
111.08090	7.3
117.07047	8.1
119.08588	26.7
121.10184	17.2
123.11703	19.2
129.06914	6.9
131.08557	10.9
133.10126	21.9
135.08072	7.0
135.11667	13.0
137.13283	6.2
143.08527	6.7
145.06459	6.2
145.10068	5.0
147.11722	13.3
149.13248	6.9
158.81787	4.8
161.13263	11.2
163.14754	6.1
165.16502	5.9
166.72244	5.3
173.13196	5.4
175.14879	10.6
177.12820	6.9
208.54836	4.8
245.22664	40.3
263.23779	38.5
317.86032	5.1
337.27328	41.3
347.26178	5.0
372.21805	5.9
499.32745	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	517.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.5
55.01887	1.7
55.05507	8.0
56.05042	1.5
57.03449	2.2
57.07076	1.8
59.05019	1.6
63.46090	1.2
66.35468	1.1
67.05518	10.6
69.03426	9.4
69.07067	12.3
70.06600	10.5
70.07541	2.6
71.05005	3.4
72.08167	3.5
78.38119	1.1
79.05506	4.4
81.03424	6.6
81.07053	20.4
83.04985	9.1
83.08639	4.5
84.04541	1.5
84.08159	5.9
85.02913	14.5
85.06551	3.8
86.09721	5.2
87.04487	1.3
91.05505	5.2
93.07042	13.0
95.05009	1.7
95.08607	22.6
97.02886	7.0
97.06554	2.3
97.10175	4.6
98.09710	2.8
98.97620	1.7
99.04457	9.3
99.08120	1.8
103.03954	14.1
103.91698	1.2
105.07024	7.4
107.04967	1.6
107.08598	16.5
109.02911	4.3
109.06547	5.3
109.10162	56.7
110.07188	1.6
111.04469	3.8
111.08102	5.7
119.08592	22.3
120.08141	2.0
121.06538	2.7
121.10148	13.5
123.08060	9.3
123.11711	7.7
127.03922	18.8
129.10307	1.6
131.08562	2.0
133.05069	1.4
133.10162	12.2
135.08089	1.4
135.11699	49.8
136.07603	2.3
137.09615	15.3
139.11192	2.1
145.04979	7.8
145.10115	2.6
147.04491	1.8
147.11748	4.0
149.09613	2.0
149.13235	5.7
151.11227	6.6
151.14812	6.6
153.12857	2.2
163.06070	4.7
163.11255	4.7
165.16440	1.9
167.10745	2.4
168.08716	1.2
175.11020	1.2
175.14828	27.6
175.16270	1.5
188.18858	1.3
191.10635	2.5
193.15906	36.4
209.08621	1.5
209.11748	2.3
211.16946	100.0
227.12897	2.5
290.13977	1.7
295.15921	4.8
303.23013	1.3
337.16901	3.5
457.21179	6.1
499.21326	1.3
516.77209	3.0
517.18365	7.0
517.27045	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	517.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44376	1.1
51.69215	1.1
53.03945	2.2
55.05516	6.5
56.05035	1.4
56.96567	2.0
57.03441	1.3
57.07058	2.7
59.04985	1.5
61.02628	1.2
61.02923	1.8
67.05511	14.5
69.03424	7.0
69.06770	1.2
69.07066	11.6
70.06613	6.0
70.56336	2.5
70.56674	1.5
71.04978	4.7
72.08151	1.3
73.11880	1.3
79.05488	4.8
81.03411	4.3
81.07063	17.2
83.04985	8.0
83.08614	4.9
84.04498	1.9
84.08138	5.8
85.02904	13.8
85.06535	3.2
86.06079	1.7
86.09689	3.2
91.05478	6.5
93.07042	10.4
95.04987	1.9
95.08607	28.7
97.02901	7.8
97.06517	1.9
97.10172	7.0
98.09663	1.2
98.97602	2.4
99.04455	9.1
99.08084	3.2
103.03946	14.5
105.07009	7.1
105.57141	1.3
107.04960	1.4
107.08592	17.6
109.02863	4.5
109.06494	9.2
109.10161	75.2
109.41492	1.1
111.08055	2.9
111.11709	1.6
113.09604	1.7
119.08587	22.9
120.08131	1.3
121.02866	1.1
121.10151	9.2
123.08042	9.7
123.11721	6.9
125.09668	3.0
127.03918	18.6
129.10240	2.6
133.10135	14.2
135.11700	66.3
136.07610	1.3
137.09636	14.0
139.11215	2.8
143.03711	1.5
143.10744	1.4
145.04944	9.1
145.10083	1.9
149.13287	8.1
151.11171	7.1
151.14804	9.6
153.12733	1.7
161.04863	1.3
162.53311	1.2
163.06018	4.5
165.16405	2.9
175.14821	28.0
193.15872	40.7
209.08481	2.2
211.16931	100.0
242.11664	1.5
290.13879	2.2
295.15851	8.6
337.16794	5.4
405.07074	1.3
457.21451	7.1
517.20557	2.6
517.27374	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	517.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.05511	5.8
57.03423	0.9
57.07077	1.3
59.05003	1.8
61.02013	0.7
65.03935	1.3
67.05508	14.7
69.03436	7.0
69.07075	10.1
69.51485	3.3
69.51904	1.8
70.06585	1.3
71.04988	2.0
71.32927	0.8
79.05495	3.9
81.03413	3.9
81.07060	14.5
83.04986	7.5
83.08612	4.6
83.12161	0.6
84.08150	1.0
85.02911	17.4
85.06546	2.0
86.09706	0.9
87.08113	0.8
91.05487	3.7
93.07050	7.4
95.04983	1.3
95.08612	29.0
97.02892	7.4
97.06528	1.6
97.10170	1.7
99.04456	11.5
99.08115	3.9
103.03942	18.1
105.07022	6.1
107.08593	18.9
109.02863	4.9
109.06505	7.4
109.10161	87.4
111.08063	2.6
111.11659	1.1
113.09660	1.9
119.08585	38.2
120.04416	0.8
120.08058	0.8
121.10149	12.3
123.08089	10.6
123.11724	5.5
125.09636	1.4
127.03918	24.1
127.11258	0.7
133.10133	19.5
135.11694	100.0
137.09624	16.5
139.11218	1.6
142.00957	0.7
145.04953	8.6
147.04408	0.8
147.11726	1.4
149.13248	5.7
151.11203	7.4
151.14830	10.7
153.12755	2.2
163.06033	4.8
165.16389	2.7
175.14828	43.8
187.06001	0.9
193.15886	71.4
205.06995	0.8
211.16936	79.0
517.25366	1.1
521.60352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01865	0.4
55.05508	0.8
57.03429	0.7
59.04995	0.3
61.02911	1.0
67.05496	0.8
69.03094	0.4
69.03439	4.7
69.07058	1.0
70.06617	1.4
71.05000	3.0
71.52290	0.4
72.08134	0.5
72.68351	0.3
73.02917	0.6
79.05467	0.7
79.40969	0.3
81.03420	3.6
81.07082	1.6
81.07508	0.3
83.04963	1.3
84.04498	0.4
84.08138	1.2
85.02910	13.7
86.09702	1.3
87.04476	0.5
91.03907	0.5
91.05468	0.6
93.07040	1.2
95.04956	1.3
95.08626	1.6
97.02894	3.6
97.06539	0.3
98.09666	0.7
99.04449	1.1
99.08076	0.5
105.07012	1.4
107.08584	3.5
109.02885	1.0
109.06532	2.5
109.10149	1.2
110.07175	0.5
119.08562	1.0
120.08121	0.5
121.06506	0.6
121.10157	5.4
121.17171	0.3
123.08047	2.5
123.11718	1.7
125.09703	0.4
127.03925	2.0
129.05452	0.4
129.10214	0.4
131.08565	0.7
133.10147	1.0
135.08086	1.2
135.11710	0.6
137.09630	6.0
137.13269	0.5
145.04993	2.1
145.10132	0.6
147.11661	1.2
149.09624	3.8
149.13272	3.1
151.11195	10.4
158.10953	0.3
163.11205	0.4
163.14813	0.4
165.12764	27.5
167.07085	0.3
173.13251	1.0
191.14316	7.8
193.15910	1.2
205.12105	0.4
209.15376	100.0
210.15730	0.8
223.13307	0.7
266.80640	0.3
323.74890	0.3
328.18665	0.3
349.13046	0.3
371.20691	4.7
499.17920	0.9
517.21356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	67.0
57.03432	13.4
57.07074	9.5
59.46161	4.3
67.05507	21.6
69.03394	4.9
69.07065	31.4
71.08632	6.3
71.52837	4.3
78.45738	3.9
79.05486	16.1
81.07066	15.4
83.04982	5.1
83.08618	46.5
87.04462	5.8
91.05470	4.1
93.07037	11.5
95.08635	5.9
96.71445	3.9
97.10180	85.3
107.08599	22.3
109.10160	8.3
111.11743	6.1
125.09650	60.4
135.08125	4.8
153.09109	4.7
171.10213	6.5
189.11203	37.2
191.69135	5.0
227.12804	84.1
227.14977	7.4
245.13853	100.0
311.25803	94.3
416.81580	4.3
481.35242	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2645
Annotation	Eriojaposide B
Peak:m/z	Relative Intensity
55.05501	2.1
57.03444	0.9
57.07067	0.9
59.32604	0.7
65.04238	0.8
67.05507	1.4
69.03433	3.9
69.07064	4.1
69.85586	3.0
69.86002	1.6
70.06592	1.2
71.04978	5.1
72.08128	0.9
75.37997	0.6
79.05493	2.0
81.03394	1.4
81.07065	4.6
83.04983	6.6
83.08622	1.6
84.08144	1.6
85.02916	6.8
86.09689	1.6
87.04437	0.7
91.05448	1.6
93.07031	3.9
95.04953	1.8
95.08604	10.5
97.06529	0.9
98.20798	0.7
99.08073	2.4
105.07031	2.0
107.08596	13.5
109.06514	2.5
109.10150	7.9
110.07181	1.0
111.08062	1.2
119.08568	2.0
121.06480	2.3
121.10149	16.7
123.08063	1.6
123.11684	1.9
125.09629	8.6
131.08559	2.2
133.10130	5.7
135.08055	6.2
135.11693	2.6
137.09595	3.7
139.11179	3.2
145.04887	0.9
145.10138	1.5
147.11703	4.8
149.09622	5.2
149.13261	12.1
151.11186	41.9
153.09061	1.4
158.10870	1.1
163.13638	0.8
163.14828	8.6
165.12770	3.6
167.10616	1.0
173.13240	7.4
191.14313	45.9
209.15369	100.0
240.15929	0.8
323.72913	1.0
371.20804	3.4
484.04391	0.8
517.21674	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	516.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05264	0.6
55.05514	6.6
56.05032	1.5
57.03419	0.4
57.05816	0.8
60.04520	0.9
60.05662	0.3
67.05513	0.4
68.05037	0.6
69.03437	0.9
69.07062	1.0
69.87301	1.6
70.06206	0.8
70.06596	14.0
71.04997	0.7
71.56937	0.3
72.08157	100.0
73.02922	0.4
74.06079	1.1
74.76857	0.3
78.73303	0.3
82.06596	0.4
84.04496	2.2
84.08147	6.5
85.02921	1.5
85.10913	0.3
86.06082	1.2
86.09708	56.0
87.10016	0.4
88.04003	0.6
91.05491	1.6
95.01286	0.3
95.04880	0.3
96.04467	0.5
97.02905	0.4
98.06026	0.4
98.09702	2.8
101.07179	0.4
102.05561	0.7
110.06021	0.4
110.07145	1.3
111.04441	0.5
112.08713	1.0
114.05529	1.0
116.07095	1.0
119.04920	0.9
120.08099	1.1
129.10228	3.4
130.05051	0.4
132.06561	1.0
134.04474	0.9
136.07556	1.5
140.14359	1.5
143.11809	1.7
143.15395	0.4
146.05943	0.7
147.04398	2.2
148.05977	0.5
157.13365	20.8
171.11394	2.3
171.14928	35.4
173.12875	1.5
183.14883	0.4
185.12866	22.9
185.16420	2.7
187.10748	1.7
199.14423	32.1
201.12334	0.9
203.10172	0.9
213.16019	2.0
215.10268	1.6
225.15936	0.9
227.12357	0.4
229.11862	2.2
239.21075	0.5
247.10490	0.5
247.12904	8.1
256.16476	0.3
267.20639	0.5
270.18127	31.4
271.18494	0.5
284.16263	0.6
284.19568	2.6
302.17032	0.4
304.14938	0.5
304.22415	0.3
312.22711	0.7
318.16620	8.8
328.18631	2.7
338.24277	0.6
355.27032	7.2
361.15906	1.3
383.26617	6.8
399.25943	0.7
417.23340	0.7
441.09943	0.5
454.03677	0.3
466.16653	0.4
486.98801	0.3
516.18713	0.6
516.30829	5.1
540.01782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
54.49748	0.3
55.05518	7.9
56.05034	1.4
57.03436	0.5
57.05814	1.3
60.04515	0.9
67.05501	0.7
68.05048	0.7
69.03442	0.4
69.07070	1.1
70.02956	0.6
70.06596	17.1
70.48576	1.1
70.49665	0.3
71.05011	0.7
72.08159	100.0
73.02918	0.4
73.08502	0.6
74.06081	0.9
79.49008	0.4
81.07078	0.3
84.04501	1.9
84.08146	6.2
85.02909	1.2
85.08478	0.4
86.06093	0.7
86.09711	31.7
87.05595	0.6
87.10041	0.6
88.03994	2.1
90.05580	0.5
91.05482	0.6
93.07092	0.4
94.06544	0.4
96.04510	0.5
96.08163	0.5
98.02444	0.6
98.09707	1.9
100.03944	0.8
102.05579	1.1
104.05273	0.5
110.07199	1.0
113.10791	0.5
115.05102	0.4
120.08155	0.9
126.12836	0.4
127.05031	0.4
129.05501	0.4
129.10272	2.4
130.05060	0.7
134.05989	0.3
134.76585	0.4
136.07613	1.2
138.09189	1.0
140.14403	1.5
141.10223	1.7
142.08626	0.6
143.11771	0.5
143.15472	0.5
147.07646	0.6
148.06163	0.5
155.11833	0.5
156.10236	1.6
157.13409	1.1
159.07654	0.5
163.11208	0.3
169.09760	0.6
171.14934	23.2
183.11339	1.7
184.09700	0.8
185.12921	1.2
185.16454	0.5
187.10825	1.0
197.12958	0.4
199.14433	12.5
201.12349	19.6
202.08371	0.5
203.13908	2.8
213.16216	0.5
215.10374	1.4
217.11871	0.9
229.11848	15.8
233.16644	0.4
234.16934	0.5
239.21243	0.4
245.11377	5.8
245.13724	0.5
256.16714	1.2
261.70999	0.4
300.15759	1.3
301.16650	0.9
314.17105	27.7
318.16641	4.6
328.18625	2.4
399.21658	0.6
399.26178	6.6
427.25613	5.1
494.27994	0.4
498.29385	0.9
516.21814	1.0
516.31171	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	516.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03079	2.5
51.11055	2.9
53.03937	7.9
55.01867	6.5
57.03438	5.6
61.02921	6.2
62.34583	2.1
67.05518	3.1
68.99801	3.2
69.03433	24.6
69.07072	51.7
70.06601	15.8
71.04991	4.7
71.52068	2.5
72.08155	6.8
73.02903	5.3
79.05487	5.9
81.03426	22.4
81.07050	7.8
84.08141	12.2
85.02911	69.4
86.09726	10.6
87.00829	29.8
91.05484	8.2
93.07018	4.9
95.04947	8.2
95.08598	5.2
97.02892	25.3
97.06495	3.0
99.04473	8.2
105.01880	35.1
105.07020	10.8
107.08581	5.9
108.08170	2.4
108.92299	2.4
109.02870	20.2
110.07124	3.2
111.04469	4.7
117.07027	4.2
119.08598	7.8
121.06485	5.0
121.10162	8.1
123.08076	4.0
123.11727	2.5
127.03928	51.0
129.06970	3.3
129.10278	4.3
131.04951	3.6
133.06450	13.9
133.10106	2.9
135.08081	3.1
137.05956	24.0
145.04976	16.3
145.06468	4.0
145.10187	3.1
147.08025	5.6
149.09659	4.3
150.09126	3.9
151.07547	100.0
159.02870	7.6
163.07565	7.1
165.09142	8.8
171.02998	2.8
175.07587	8.1
177.09062	13.0
183.10165	8.0
187.14845	3.9
189.09131	4.3
195.10165	40.5
205.08492	2.5
205.12227	10.7
207.10191	10.7
225.11243	10.3
231.05034	14.8
233.15417	8.3
249.11208	4.0
251.16434	29.4
273.11374	18.3
291.12448	14.5
301.21597	2.7
516.28467	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01870	2.1
55.05514	13.4
57.03426	4.3
57.03682	1.0
57.07077	1.6
58.09416	1.0
65.01280	1.0
65.03941	1.0
67.05508	32.6
69.07079	12.9
69.74088	1.0
71.01342	1.2
71.04980	2.4
77.03928	1.1
79.05498	30.8
81.03407	2.9
81.07059	29.1
83.04977	5.3
83.08608	4.5
91.05482	19.8
93.07047	38.3
93.07645	1.9
95.04974	2.4
95.05997	1.1
95.08610	20.3
97.06544	6.2
97.10165	4.2
99.08062	1.9
103.85390	1.2
105.07035	13.7
107.05036	1.1
107.08593	20.3
109.06509	1.3
109.10162	7.9
111.08089	1.4
117.07013	8.8
119.08579	12.5
121.06537	1.4
121.10151	10.8
123.11720	2.1
125.09646	2.1
126.42006	1.3
129.06987	2.5
131.08565	11.4
133.10135	8.5
135.11694	24.0
143.08560	5.3
145.10133	11.0
147.11708	6.3
149.13307	2.4
153.12761	2.3
155.08566	2.5
157.10132	3.9
159.11691	7.3
161.13272	4.0
163.11197	2.5
169.10143	3.4
171.11684	4.6
173.13174	5.0
175.14906	2.0
177.25044	1.3
181.12299	4.3
183.11674	1.7
185.13312	2.7
185.60138	1.0
187.14815	3.1
195.11748	1.5
197.13219	1.6
199.14880	1.8
201.16472	1.1
209.13287	2.0
211.14809	1.6
213.16466	1.3
247.57228	1.1
261.22244	2.6
297.21805	1.5
299.23593	1.2
342.81927	1.3
423.32706	6.5
441.33762	3.8
497.36166	4.0
515.37317	100.0
516.37524	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.4
55.01845	6.3
55.05511	24.4
57.03427	10.5
57.07072	7.4
61.02920	7.7
67.05505	88.6
69.03428	16.1
69.07040	15.8
70.96256	9.4
71.04972	7.3
79.05506	57.6
79.93657	4.7
81.03411	14.5
81.07061	100.0
83.08609	16.3
85.06535	5.2
91.05487	56.0
92.06227	4.3
92.81506	4.5
93.07049	78.8
95.04964	12.7
95.08609	64.2
97.02887	12.4
97.06512	7.6
99.04411	4.3
99.82456	4.5
105.06431	6.1
105.07034	37.5
107.04961	6.2
107.08620	45.6
109.06507	9.4
109.10159	37.4
117.07002	18.1
119.08582	38.8
121.06528	5.3
121.10149	36.7
123.11700	19.4
123.58472	5.1
128.06252	7.4
129.06966	11.5
131.08586	26.9
133.10149	26.0
135.08015	7.3
135.11682	25.2
137.13284	9.0
143.08554	8.7
145.10098	23.4
147.11697	16.5
149.13293	25.7
159.08038	6.2
159.11687	18.5
161.13290	9.6
163.14865	6.3
171.11642	8.3
173.13318	24.0
177.16368	7.6
183.11778	5.8
185.09659	4.8
185.13205	6.2
187.14838	9.0
189.16292	5.4
239.45688	5.6
243.21107	27.1
261.22202	63.5
303.22928	5.5
335.25748	12.6
353.26883	29.2
369.24323	6.8
387.25497	6.7
405.26419	10.3
419.27612	6.6
443.27789	5.9
479.29898	9.6
497.30832	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
54.44230	3.2
55.01883	6.5
55.05515	19.4
57.03430	10.2
61.02927	9.3
67.05508	93.4
69.03427	12.6
69.07075	20.7
69.88061	3.5
69.94338	16.8
71.04996	6.0
73.02924	5.7
77.03932	4.8
79.05073	5.6
79.05502	55.1
81.03419	14.0
81.07062	100.0
83.04995	5.4
83.08632	12.5
84.16485	3.5
85.02906	11.9
85.06583	3.5
91.03928	5.0
91.05482	33.8
93.07048	63.5
95.04974	8.6
95.08614	79.5
97.02911	8.8
97.06534	10.2
97.10162	7.1
99.08085	7.5
105.07025	31.4
107.08607	43.1
109.02752	3.6
109.06520	10.6
109.10160	36.4
117.07057	16.3
119.08601	24.3
121.06530	9.5
121.10164	34.5
123.08118	8.6
123.11730	11.3
125.09577	3.8
129.06993	6.2
131.08591	28.7
133.10132	23.5
135.08058	7.3
135.11711	31.3
137.09604	4.7
137.13261	5.4
143.08521	6.1
145.06473	5.1
145.10112	20.7
147.08121	4.6
147.11679	10.6
149.13257	14.8
157.10138	6.6
159.11719	23.3
161.13324	9.9
163.14854	10.5
171.11687	5.3
173.13275	14.1
175.14816	4.6
179.14241	4.5
185.13194	5.3
187.14845	10.7
198.15480	3.9
199.14914	5.4
229.09140	3.8
243.21213	22.2
261.22189	62.5
271.20657	4.0
279.22964	4.8
280.19177	3.9
291.01007	4.0
301.21579	5.0
335.25757	22.7
345.24197	9.3
353.26962	28.4
369.23895	4.7
387.25449	6.2
405.26675	9.2
419.27933	11.0
443.28088	8.8
461.28937	7.1
497.31085	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01841	2.1
55.05513	15.9
57.03443	7.0
57.07065	4.8
61.02914	3.1
62.15948	1.3
65.03930	2.8
67.05507	83.9
69.03416	7.4
69.07067	21.5
70.29811	3.0
70.30162	3.4
71.04979	6.1
73.02913	2.0
77.03917	1.5
79.05494	59.3
81.03405	5.8
81.07058	98.2
83.04971	5.1
83.08617	9.9
85.02910	6.8
85.06543	3.0
91.04913	1.7
91.05484	38.7
93.07049	65.6
95.04986	6.7
95.08611	71.7
97.02882	5.5
97.06525	6.3
97.10183	3.1
99.08092	5.2
103.03922	1.7
105.07028	26.2
107.04955	3.8
107.08594	45.8
109.02856	1.8
109.06513	5.1
109.10161	43.0
111.08018	3.7
113.09632	1.9
117.07018	15.8
119.08593	25.0
121.06516	1.9
121.10147	37.8
123.08096	3.6
123.11711	20.8
125.09566	2.5
129.06998	5.5
131.08562	24.9
133.10127	19.5
135.08035	2.1
135.10704	2.3
135.11699	32.8
137.09613	3.4
137.13268	6.6
139.11182	1.9
142.07764	1.5
143.08578	3.4
145.10135	23.9
147.11699	17.7
149.09589	3.3
149.13266	29.0
151.11186	1.8
155.08493	1.4
157.10133	2.3
159.11703	19.1
160.94681	1.3
161.13266	12.2
163.11206	1.6
163.14833	17.5
165.12750	1.8
171.11661	2.7
173.13266	19.6
175.11134	1.7
175.14790	4.0
177.12746	3.1
177.16333	5.4
179.14282	2.5
185.13255	2.0
187.14832	9.1
189.12759	2.6
189.16348	1.8
191.14297	1.8
199.14732	2.3
201.16394	3.3
205.15842	2.9
219.17358	1.8
222.10751	1.8
233.22691	3.5
243.21107	33.8
254.10374	1.4
261.22134	100.0
279.23138	4.0
303.23126	2.9
317.24533	1.7
327.23322	1.6
335.25745	17.1
345.24332	2.9
353.26898	23.2
357.93918	1.5
360.71179	1.5
365.27045	1.7
369.24185	4.0
387.25311	3.8
395.28165	1.6
405.26410	4.3
419.27798	2.5
443.27823	2.8
456.88876	1.5
461.28824	3.3
479.29895	3.8
497.30969	5.1
531.75964	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68902	1.5
53.03938	5.6
54.01164	1.5
55.01863	1.5
55.05516	17.4
57.03437	11.1
57.07063	5.0
60.42826	1.4
60.71829	1.4
61.02907	4.7
65.03922	3.9
67.05507	98.7
69.03411	5.9
69.07071	18.3
71.01362	1.4
71.04987	4.3
71.37743	2.7
73.02901	1.6
75.04495	2.2
79.05498	57.0
81.03416	4.2
81.07059	100.0
83.04989	2.9
83.08623	9.8
85.02894	6.0
85.06525	3.0
88.22025	1.5
91.03946	3.4
91.05486	33.3
93.07047	75.6
95.04959	6.2
95.08611	76.7
97.02890	3.8
97.06522	6.3
97.10165	5.6
99.08100	4.1
103.03971	2.2
105.07035	25.9
107.08607	41.7
109.06510	5.9
109.10158	39.9
111.08058	2.9
111.66457	1.4
113.09639	2.2
117.07016	15.6
119.08584	24.5
121.06535	1.3
121.09334	2.7
121.10155	37.4
121.11031	2.0
121.43984	1.3
123.08055	4.2
123.11721	18.7
125.09644	2.1
129.07007	3.4
131.08563	21.7
133.10121	20.2
135.11703	30.0
137.09650	1.9
137.13242	5.6
139.11192	3.9
143.08543	2.5
145.10126	20.1
147.08044	2.4
147.11694	13.8
149.09615	2.4
149.13254	22.3
151.11159	1.8
151.14787	4.0
153.12839	2.2
157.10149	2.1
159.11688	16.9
161.13274	16.0
163.14830	14.0
165.12720	3.3
171.11697	2.0
173.13252	17.6
175.14786	4.0
177.12791	2.1
177.16388	5.4
179.14320	1.4
185.13231	2.2
187.14865	13.9
189.16347	2.0
191.14273	2.4
201.16336	1.8
215.18005	2.7
229.79007	1.5
233.22694	3.6
243.21095	28.5
259.20566	1.9
261.22141	84.9
279.23093	4.6
303.23285	2.2
317.24493	1.9
328.19739	1.5
335.25815	25.7
342.84991	1.3
345.24203	4.0
353.26843	18.9
369.24194	3.3
377.26691	2.4
387.24985	2.3
419.28058	3.5
443.27917	2.6
461.29044	3.7
479.29971	3.4
494.32568	1.4
497.31055	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	515.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01865	2.1
55.05507	3.3
57.03446	1.2
57.07078	2.0
61.02915	1.8
67.05520	6.1
69.03428	9.5
69.07055	3.2
70.06600	5.5
70.96469	2.0
71.04991	8.9
72.08142	1.3
73.02908	2.1
79.05497	4.5
81.03421	7.8
81.07055	7.1
83.04973	4.0
83.08649	0.9
84.04498	1.9
84.08142	4.1
85.02911	37.8
85.06550	4.5
86.06076	1.4
86.09704	4.9
91.05502	5.6
93.07048	7.5
95.04958	4.5
95.08615	8.9
97.02904	12.8
97.03469	1.7
97.06531	3.3
98.09684	2.1
99.04459	25.1
103.03948	50.8
105.07024	7.6
107.08598	15.7
107.35823	0.9
109.02888	7.9
109.06522	100.0
109.10163	26.7
111.08082	3.3
115.03868	1.2
117.07020	2.2
119.08578	2.8
120.08115	1.6
121.06471	1.4
121.10147	12.0
123.08080	12.7
123.11722	1.5
123.85250	0.8
125.09624	3.2
127.03922	49.7
129.06972	1.5
129.10233	2.3
131.08559	11.5
133.10132	13.3
135.08058	36.7
135.11684	1.4
137.09616	2.6
139.11206	2.3
142.72212	0.9
143.08540	1.2
144.09355	1.2
145.04967	29.5
145.10106	2.4
147.11703	4.1
149.09634	4.9
149.13284	5.3
150.49379	0.8
151.11194	12.7
153.09169	4.8
158.10899	3.4
163.06013	17.6
163.14828	2.8
165.12775	1.4
168.58548	0.9
173.13269	19.3
187.06023	3.5
189.99205	0.8
191.14311	84.7
205.07133	2.5
209.15369	67.7
210.15594	0.9
225.03433	0.9
235.58470	0.8
271.08167	2.9
289.09283	1.4
307.10287	2.8
515.19928	1.3
515.28064	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05521	1.4
57.03448	0.7
61.02925	0.9
62.75341	0.4
65.03932	0.5
67.05489	1.4
69.03429	6.6
69.07058	1.8
70.06593	1.1
70.82925	1.2
71.04980	1.0
73.02900	0.7
79.05485	1.8
81.03425	5.1
81.07063	2.4
81.07460	0.5
83.04974	1.3
84.08147	0.6
85.02914	11.4
86.09721	0.6
91.05489	2.1
93.07048	2.0
95.04964	2.1
95.08621	2.8
97.02908	5.0
99.04468	6.6
103.03952	8.5
103.05466	0.4
105.07033	3.4
107.08601	10.6
109.02894	3.7
109.06522	3.6
109.10167	1.2
111.08094	0.5
119.08608	2.0
121.06512	0.7
121.10155	8.6
122.07285	1.3
123.08085	3.4
123.11674	2.0
125.09607	0.5
127.03928	15.0
131.08592	0.5
131.93681	0.5
133.10129	5.0
135.08067	3.4
135.11644	0.7
137.09644	9.8
145.04976	6.8
145.10176	0.5
147.11691	2.1
149.09630	5.4
149.13271	4.7
151.11209	8.3
158.10852	0.5
163.06052	2.6
163.14839	1.0
165.12767	33.5
173.13295	1.7
187.05984	0.7
187.86690	0.5
191.14307	9.2
193.15942	0.8
209.15384	100.0
210.15820	0.5
260.02530	0.4
262.99258	0.4
271.08051	1.2
307.09949	0.5
330.04199	0.4
413.43692	0.5
497.24219	0.5
504.18375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01874	2.2
55.05513	5.1
57.03430	3.3
57.07066	2.3
57.51731	1.3
60.05672	1.4
61.02920	3.2
67.05518	8.0
69.03436	58.3
69.07079	10.4
70.06606	17.4
71.03393	1.8
71.04981	4.4
72.08162	7.6
73.02897	2.1
74.06066	1.8
79.05479	5.6
81.03428	11.0
81.07069	12.8
83.04983	7.3
83.08622	2.3
84.04497	4.5
84.08154	15.7
85.02910	37.3
85.06535	4.3
86.06068	2.4
86.09724	12.3
91.03947	2.0
91.05479	10.0
93.07068	9.9
95.04980	2.6
95.08617	14.0
96.04475	2.1
97.02895	16.0
97.06530	6.2
98.09686	5.9
99.04464	28.1
99.10025	1.6
103.03951	45.2
103.05387	1.4
105.07018	7.9
107.08604	20.8
109.02895	10.9
109.06506	6.7
109.10140	6.5
110.07156	2.8
111.04452	1.8
111.08078	5.3
112.08770	1.8
115.08686	1.7
119.08601	8.8
120.08086	4.7
121.06521	6.5
121.10146	17.1
123.08072	5.0
123.11744	7.7
125.09632	17.8
127.03930	73.3
129.10266	5.5
131.08607	10.0
133.10184	8.5
135.08078	15.8
135.11684	6.1
136.07616	3.2
137.09621	10.0
143.08617	2.4
145.04976	33.0
145.10141	6.5
147.04395	1.7
147.11717	7.2
149.09622	7.5
149.13261	6.0
150.09073	1.7
151.11201	1.9
152.07101	1.5
153.07390	1.9
153.09125	9.2
157.10184	1.6
158.10844	3.0
161.09668	4.9
163.06030	22.9
163.11179	5.1
163.14824	7.5
165.12775	5.2
166.08675	1.7
168.06642	1.5
173.13295	22.0
187.06050	3.5
188.69424	1.3
191.14320	97.5
194.08246	2.5
195.08519	1.4
205.07126	2.2
209.15378	97.1
237.08112	1.5
241.07529	2.4
255.09019	1.4
271.08145	2.9
289.09262	1.4
297.10184	2.4
307.10147	3.5
316.13596	2.3
371.62311	1.7
455.15854	3.1
494.29364	1.5
496.53867	1.4
497.20193	2.1
515.18896	100.0
515.26093	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50302	0.6
55.01867	1.8
55.05502	1.9
56.05022	2.7
56.87812	0.6
57.03439	5.2
58.06593	2.2
59.04984	0.7
60.04512	1.0
60.05642	2.1
61.02930	1.2
67.05508	7.8
68.05035	4.7
68.23450	0.6
69.03431	3.4
69.07069	2.6
70.02940	1.5
70.06596	33.7
71.01343	2.1
71.04994	8.4
71.06886	0.8
71.51417	0.6
72.08162	5.4
73.02913	2.4
74.06078	1.1
79.05500	1.0
81.03432	1.2
81.07047	1.6
82.06565	1.2
83.05002	0.7
84.04510	5.1
84.08146	21.2
85.02907	11.5
86.06076	9.3
86.09707	6.7
87.04480	0.7
87.05589	0.6
87.59988	0.6
91.05497	1.7
95.04952	0.6
95.06096	1.0
96.04509	1.1
96.08127	1.7
97.02890	2.2
98.06075	1.5
98.09698	100.0
99.10045	1.3
102.05565	1.2
107.04963	1.4
109.02869	0.8
109.10155	2.6
110.06030	1.0
110.07175	4.1
110.09682	1.1
111.10477	1.1
112.07587	0.7
112.08762	3.1
112.11267	1.4
113.07121	1.8
114.05562	0.9
115.03951	1.7
115.05054	0.5
115.08719	1.1
119.04951	1.2
120.08099	2.3
125.05969	0.9
125.07083	0.6
127.03943	1.6
129.10246	9.4
133.04968	1.5
134.06073	0.7
135.06775	0.6
136.06255	0.7
136.07581	4.4
137.06017	3.2
138.11856	0.6
138.12753	3.0
139.08698	0.6
140.14346	54.3
141.06621	1.0
141.14742	0.7
142.05042	0.8
147.04424	1.6
155.08124	0.7
157.13313	0.7
158.15407	18.9
159.07910	0.8
165.05502	0.9
174.09068	0.6
177.05408	0.7
177.10214	0.7
181.09816	0.8
183.07643	0.8
187.10910	0.6
199.10913	0.8
216.15948	1.6
313.78857	0.6
350.19632	24.9
368.20773	6.8
372.69022	0.6
425.88815	0.6
426.22394	1.3
442.24042	0.7
482.12781	1.8
486.26694	0.8
496.25589	9.7
507.46075	1.2
510.66873	0.8
510.86575	1.3
513.63135	0.6
514.26514	85.2
514.76752	0.8
515.26941	1.4
519.26440	1.3
523.27087	0.8
526.46722	1.1
537.06897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.7
57.03419	2.3
61.02927	2.5
67.05504	9.0
69.07096	3.4
70.06593	6.7
71.51775	3.4
77.79028	2.2
79.05498	8.7
81.03450	2.5
81.07066	9.4
83.04975	2.3
83.08622	2.8
83.48302	2.3
84.08137	2.2
85.02921	3.6
91.05469	8.2
91.11163	2.1
92.47582	2.0
93.07054	8.9
95.08610	4.1
97.06522	2.6
105.07043	9.5
106.07336	2.8
107.08611	4.6
108.08104	4.7
108.08883	3.4
109.10193	2.7
117.07018	3.8
119.08588	5.0
120.08144	3.7
121.10161	4.3
123.64743	2.1
131.08565	3.9
133.10193	3.1
136.07500	2.8
137.74600	2.7
144.08069	3.4
145.08800	2.6
147.11728	4.7
149.13266	2.7
150.09166	2.5
157.10007	2.5
158.09700	3.5
161.13263	2.4
164.10690	2.7
173.07832	2.3
173.27957	2.4
184.07535	3.0
188.10733	8.1
192.10225	2.6
201.10193	2.6
207.12640	2.6
212.07133	3.8
218.11777	3.0
222.14882	8.5
240.06609	6.3
243.11234	2.4
259.20895	2.5
267.15646	3.1
274.10886	4.1
289.13123	3.6
291.14651	2.3
303.11310	6.0
305.08978	3.0
306.13739	3.4
307.14288	3.3
317.09186	2.7
317.12851	4.4
318.13394	3.5
319.10873	5.3
321.12350	2.8
325.11829	3.9
331.10367	3.8
332.11670	2.9
335.13867	5.4
345.12177	4.2
346.13068	4.9
347.10123	3.8
347.13950	9.0
349.15408	7.5
350.16251	3.0
351.25528	2.9
352.25702	7.5
357.14343	7.1
359.10477	3.0
363.13522	3.2
373.11819	7.0
374.12769	7.5
375.13394	16.2
377.15012	9.3
390.14667	2.9
405.14432	9.1
407.15863	4.5
418.13953	9.5
422.17163	6.2
424.44061	2.6
432.16296	2.7
433.13980	11.3
437.17032	15.3
450.16656	15.4
461.29031	8.1
465.16617	35.7
482.19348	15.4
497.19226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3062
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03953	3.8
55.01863	2.6
55.05511	10.2
55.23596	1.3
57.03436	6.0
57.07083	1.9
61.02940	11.3
67.05506	29.7
67.39355	1.3
69.03421	4.9
69.07063	11.1
70.01231	6.8
70.06599	3.0
71.05003	3.7
71.08620	1.4
72.08163	2.0
73.02924	5.3
79.05495	31.1
80.15309	1.3
81.03415	6.7
81.07059	30.5
83.05010	3.4
83.08614	6.8
84.08147	2.3
85.02913	12.5
85.06528	2.1
91.03958	4.6
91.05481	24.2
93.07046	40.6
94.62768	1.3
95.04981	4.9
95.08607	24.0
97.02889	10.0
97.06553	3.0
97.10178	1.6
99.04504	1.5
99.08102	1.7
101.02374	1.6
104.37836	1.4
105.04540	1.3
105.07038	30.9
107.04968	1.9
107.08601	27.7
109.06560	2.4
109.10183	10.4
111.04411	1.6
111.08109	1.6
113.09608	1.8
117.07021	10.8
119.08582	26.0
121.06516	2.3
121.10150	22.7
123.08101	2.0
123.11710	3.0
124.54390	1.3
125.09650	1.7
127.03934	3.1
128.06244	1.5
129.06998	7.2
130.02316	1.3
131.08580	13.2
133.06432	2.2
133.10132	22.8
135.08047	1.9
135.11691	21.2
137.09679	1.9
143.08595	5.4
145.10120	16.4
147.11699	23.3
149.09671	3.1
149.13255	14.1
150.71204	1.6
151.11122	1.7
155.08525	2.3
157.10123	7.8
159.11690	11.9
161.13269	17.4
163.11147	3.2
163.14854	6.3
169.10118	3.1
171.11664	8.3
173.13231	10.3
175.14853	12.6
177.12863	2.0
179.14275	1.6
183.11662	1.6
185.13264	7.3
189.12759	2.6
191.14337	1.7
197.13368	2.2
199.14824	5.4
203.14282	2.4
210.15059	1.4
213.16479	2.9
217.19540	2.2
217.74223	1.3
231.21129	4.8
241.19530	19.8
259.20569	46.4
261.22223	1.4
277.21609	10.4
301.21622	2.7
325.21609	1.5
333.24237	6.3
349.23959	3.1
351.25314	100.0
352.25739	1.6
363.25272	2.0
375.25320	2.6
385.23544	2.1
403.24515	1.7
417.26813	1.8
441.26395	5.8
459.27417	3.8
477.28497	3.5
495.29434	4.2
513.30859	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	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41981	2.5
53.03951	5.7
55.01879	3.1
55.05517	13.8
57.03434	7.4
57.07071	2.4
61.02935	15.6
61.78298	2.3
64.76127	2.4
65.03947	2.6
67.05511	39.4
69.03429	6.0
69.07066	10.4
69.17168	2.4
70.06588	9.6
70.69868	7.0
71.04987	3.0
73.02930	4.8
79.05505	31.7
81.03426	7.1
81.07072	34.0
83.04982	3.2
83.08620	8.3
84.08154	5.8
85.02909	16.3
85.06531	4.6
86.09701	3.0
91.03962	4.1
91.05484	28.4
93.07052	49.6
95.04959	5.8
95.08612	21.7
97.02899	9.8
97.06532	4.8
102.10724	2.5
105.07038	38.6
107.08618	26.5
109.10152	15.7
117.07025	11.1
119.08608	32.2
120.08099	3.6
121.06490	5.2
121.10146	20.5
123.08138	3.2
123.11757	3.9
127.03902	2.4
129.07043	11.7
131.08597	17.5
133.10138	27.2
135.08076	4.8
135.11708	20.1
141.06956	3.1
143.08557	9.9
145.10144	15.9
147.08121	4.2
147.11685	22.6
149.13249	15.2
157.10158	11.1
159.11737	17.1
161.13295	23.9
163.11194	3.9
163.14876	4.4
169.10236	3.0
171.11719	10.7
173.13292	9.8
175.14906	12.1
177.12762	3.2
185.13280	8.7
189.12770	2.6
199.14847	6.3
212.41873	2.8
213.04463	2.6
231.21124	5.8
241.19554	22.3
259.20596	55.1
277.21579	4.2
351.25305	100.0
367.22339	3.5
441.26248	4.2
477.27353	3.1
495.29565	4.3
513.29108	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.6
54.62202	2.0
55.01868	7.6
55.05278	2.0
55.05518	27.6
57.03440	43.3
57.07066	4.2
61.02930	23.4
61.64558	2.0
64.54311	2.7
65.03944	4.8
67.05510	80.0
69.03431	29.1
69.07073	23.4
69.94659	7.2
69.95065	4.9
70.06586	7.6
71.01367	3.8
71.04996	21.2
71.08623	2.1
73.02924	13.7
79.05499	75.0
81.03423	31.7
81.07059	93.8
83.04980	10.6
83.08624	14.4
85.02914	38.5
85.06545	7.6
87.04461	2.8
91.03976	12.0
91.05484	63.9
93.07047	100.0
95.04980	14.2
95.08614	77.6
95.09081	1.4
97.02898	35.9
97.06539	10.8
97.10181	8.4
99.04453	7.7
99.08095	7.2
100.71236	2.3
101.02396	8.6
103.03954	5.9
105.04502	3.6
105.07036	52.0
107.04962	7.0
107.08606	60.4
109.02894	9.2
109.06535	11.8
109.10163	29.7
111.04458	6.0
111.08089	7.0
113.05997	2.5
113.09676	3.5
117.07018	20.3
119.08596	46.6
121.06522	7.4
121.10146	51.3
123.08073	7.7
123.11723	8.7
125.06038	2.4
125.09630	6.4
127.03916	18.8
127.07538	3.4
129.05486	7.7
129.07024	8.2
131.08580	27.6
133.10141	38.0
135.08069	5.6
135.11693	37.6
137.09619	5.9
139.11252	2.9
143.08549	11.6
145.05032	5.0
145.10138	24.1
147.11687	31.1
149.09616	6.4
149.13266	22.5
151.11180	4.9
155.08574	2.9
157.10101	13.3
159.07982	2.0
159.11714	28.2
161.09579	3.7
161.13258	18.3
163.11163	3.8
163.14839	5.8
165.12769	3.6
169.10150	4.3
171.11736	12.1
173.09579	2.8
173.13210	16.0
175.11292	2.8
175.14838	11.6
177.12770	7.4
179.14296	3.2
183.06627	3.8
183.11703	3.2
185.09708	2.3
185.13214	12.2
187.14854	12.6
189.16316	3.5
191.14336	4.1
195.13911	2.6
197.13234	5.0
199.14851	6.9
201.07492	3.1
201.12737	2.7
201.16353	4.3
203.17982	4.1
205.15897	4.6
207.17151	2.4
209.15335	2.5
211.14813	2.3
213.16434	3.5
221.19002	4.6
221.94685	2.1
231.21124	3.5
236.15247	2.4
241.19472	19.7
255.15857	2.5
256.36493	2.4
257.19098	3.0
259.20569	45.2
261.22122	3.0
269.17468	3.0
275.20007	3.6
277.21661	52.2
290.41357	2.2
293.21164	3.8
301.21646	2.2
333.24158	11.3
351.25317	97.5
363.25134	2.3
367.22806	3.0
379.24515	3.2
385.23907	3.2
393.26642	3.2
417.26224	2.8
421.25540	3.1
441.26288	3.9
459.27325	3.9
460.27707	2.5
477.28436	5.7
478.29285	3.3
495.29733	10.1
513.30127	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53992	3.1
53.03946	10.4
55.01871	7.1
55.05515	31.2
57.03436	28.3
59.05002	3.0
61.02929	25.4
61.14419	3.0
65.03932	4.1
67.05510	100.0
69.03432	25.0
69.07075	31.0
70.06575	5.0
70.66637	9.4
71.04981	14.3
71.08619	9.8
73.02918	14.7
73.84193	2.8
79.05496	62.2
81.03425	29.8
81.07064	84.2
83.04989	10.3
83.08620	16.2
85.02909	34.5
85.06527	3.7
86.09686	3.5
91.03954	10.9
91.05484	55.0
93.07053	82.8
95.04962	11.4
95.08614	60.5
97.02897	34.6
97.06548	17.3
97.10181	13.9
98.20866	3.3
99.04457	11.2
99.08099	10.1
101.02393	11.3
103.03948	8.2
105.07040	52.9
107.04957	3.8
107.08604	53.2
109.02876	7.4
109.06507	6.9
109.10155	37.6
109.44957	3.0
111.04440	4.1
111.08055	4.1
112.80542	2.6
117.07024	12.4
119.08586	39.3
121.06462	7.3
121.10149	43.2
123.08035	5.2
123.11719	11.2
125.09613	7.4
127.03960	14.6
129.05463	6.6
129.07019	13.2
131.08606	22.1
133.10136	33.0
135.08029	4.9
135.11697	35.7
137.09622	6.1
139.11200	5.9
143.08604	7.4
145.04950	7.3
145.10136	17.5
147.11696	19.2
149.09654	3.9
149.13240	19.1
151.11201	8.3
153.12799	3.4
157.10126	11.0
159.11716	21.0
161.13263	21.1
163.11160	5.2
163.14854	3.9
165.12839	3.7
171.11684	11.2
173.11775	7.6
173.13258	10.5
175.14876	6.3
177.12726	6.6
179.14320	34.8
185.13231	7.4
187.14822	6.2
189.12735	5.0
195.11674	3.1
199.14864	5.1
229.14325	5.1
241.19502	11.2
259.20596	36.8
277.21622	68.4
333.24512	4.1
339.23187	3.2
351.25284	87.2
363.25085	4.0
379.24509	5.0
381.35645	3.2
477.28995	4.2
495.29492	7.8
513.30426	19.7
521.79510	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	512.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	10.1
57.03436	9.6
57.07077	9.9
58.06589	0.8
60.04514	0.9
65.03938	1.0
67.05508	37.6
68.19117	0.5
69.07072	14.6
70.06597	5.3
70.85049	0.5
71.05002	1.1
71.08636	4.1
73.02913	1.0
77.66027	0.5
79.05495	7.2
81.07058	25.8
83.05000	1.0
83.08619	6.8
85.06529	1.1
85.10178	1.6
86.60101	0.5
88.07635	7.1
89.06042	3.6
91.05486	5.5
93.07044	10.4
95.04993	0.5
95.08610	100.0
97.06534	4.1
97.10157	3.4
99.08115	0.7
102.09190	5.3
103.03967	0.5
105.07043	3.8
107.08596	3.6
109.10162	8.4
111.08086	1.0
111.11741	0.6
113.09676	0.6
115.20269	0.6
115.39697	0.6
119.08581	2.4
121.10158	3.9
123.08080	3.2
123.11697	2.5
125.09670	0.5
131.08606	0.6
133.08623	2.0
133.10130	2.9
135.11711	2.3
137.09607	0.6
137.13213	1.3
141.09096	5.8
147.11737	1.1
149.13301	0.7
149.40387	0.5
159.10188	7.9
161.13303	1.2
163.14845	1.4
175.14813	1.2
177.11263	1.3
201.09123	1.7
202.09892	2.6
203.10645	2.4
212.24043	0.5
215.12788	50.9
228.23271	1.3
229.55467	0.5
245.22701	1.5
246.11256	6.6
256.26346	17.4
263.23700	2.8
274.27423	1.3
283.26306	20.9
311.29572	1.7
327.20248	2.2
337.27377	54.0
467.39114	1.4
477.35751	42.9
512.50397	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.2
55.01865	10.7
55.05516	27.7
57.03443	26.7
57.07065	2.0
59.04988	3.4
61.02937	9.7
65.03927	4.2
67.05510	69.8
69.03095	3.3
69.03434	45.0
69.07069	25.5
70.06586	8.1
70.62569	5.2
71.01339	3.8
71.04990	10.4
72.08144	3.6
73.02908	8.6
73.46885	2.0
79.05496	58.8
81.03425	62.7
81.07063	100.0
83.04989	16.7
83.08635	14.2
84.08138	5.0
85.02444	2.5
85.02911	34.6
85.06535	3.5
86.06057	2.7
86.09702	4.9
87.04472	3.2
91.04918	2.1
91.05485	56.5
93.07050	58.7
95.04984	15.2
95.08612	44.3
97.02303	2.6
97.02898	34.7
97.06539	12.8
97.10185	4.5
98.09727	2.5
99.04481	13.6
99.08092	5.1
101.02369	3.7
102.84241	2.3
103.03928	5.8
105.07039	52.0
107.04948	8.7
107.08604	36.5
109.02881	14.6
109.06523	10.6
109.10172	24.8
111.04420	5.9
111.08051	6.1
115.03938	3.1
117.07030	25.1
119.04928	3.0
119.08585	48.0
121.06485	7.1
121.10147	24.3
123.04442	4.9
123.08078	9.8
123.11696	7.0
125.09637	6.3
127.03945	20.1
129.05499	10.1
129.07008	10.9
131.08577	36.1
133.06490	4.8
133.10141	38.5
135.08031	9.5
135.08945	2.4
135.11723	15.0
137.05954	3.5
137.09584	6.4
139.11209	3.9
141.06985	3.6
142.07756	4.0
143.08537	14.1
145.04944	5.9
145.06458	5.3
145.10123	32.0
147.08044	4.7
147.11697	22.7
149.05933	2.1
149.09612	12.2
149.13268	12.4
150.09229	2.4
151.07527	2.7
151.11217	4.9
155.08516	3.8
157.10158	12.4
159.08037	3.6
159.11694	27.6
161.09581	3.9
161.13297	4.9
163.11151	9.5
165.12701	2.9
169.10083	2.6
171.11679	8.8
173.04518	21.6
173.09599	4.7
173.13232	9.6
175.11148	5.1
177.05640	2.2
177.12735	5.9
183.06476	3.4
183.11716	5.6
185.13242	6.0
187.11142	4.3
187.14801	3.5
193.12239	4.8
195.08000	2.6
195.13766	11.0
197.13261	4.8
199.14825	2.9
201.12602	2.4
213.14787	3.4
227.12802	2.3
229.19553	6.5
231.17523	2.2
233.15428	2.3
233.57608	2.3
239.17928	7.8
247.20589	7.9
249.14635	2.6
257.19043	20.1
267.15955	3.5
269.17520	7.1
273.18231	3.4
275.16928	4.6
275.20087	61.4
283.15594	2.3
293.21121	3.7
303.15698	2.7
331.22623	6.2
339.18033	4.0
349.23810	66.3
349.28070	4.5
387.43097	2.3
391.25015	5.1
401.23141	3.9
413.21768	24.9
419.24344	3.6
449.25360	3.1
457.26041	3.8
475.26587	6.0
493.27847	11.8
511.25055	53.4
511.29404	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.0
56.32181	1.4
57.07082	34.7
67.05500	2.5
69.07069	4.3
70.13519	1.6
71.08636	28.8
71.17529	2.6
73.06535	4.3
79.19276	1.4
81.07063	2.8
83.08618	4.0
85.10191	18.4
87.04460	3.0
89.06035	100.0
92.25357	1.5
97.10171	4.1
111.11727	3.6
117.09136	3.0
126.37568	1.7
130.08673	4.1
133.08607	47.0
139.27182	1.5
166.95792	1.5
177.11246	19.7
195.12315	2.3
211.24069	2.2
221.13902	3.0
239.15012	1.8
255.26765	2.2
283.17523	22.9
299.29425	7.0
343.32059	2.3
449.38306	3.0
493.41031	31.2
530.43677	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	511.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
55.05510	3.0
56.05029	2.7
67.05498	4.6
68.04997	2.0
69.03417	3.0
69.07056	3.3
69.15839	5.1
69.16257	10.7
70.02905	2.0
70.06599	24.4
71.04996	3.5
72.08144	6.2
79.05486	3.0
81.07037	2.8
84.04496	4.9
84.08154	17.9
85.02921	7.3
86.06068	3.2
86.09715	20.4
91.05479	4.4
93.04008	1.3
93.07036	4.5
95.04964	2.6
95.08579	2.9
97.02906	2.0
97.06527	1.5
98.09697	7.9
98.97571	4.8
105.07021	3.8
107.05024	2.0
107.08611	3.8
109.10133	2.6
110.07164	4.6
110.97605	2.1
112.08685	1.7
119.08595	2.9
120.08077	6.3
121.06501	2.7
121.10106	2.2
122.06955	1.3
123.04426	2.1
124.94707	1.6
127.03953	2.0
129.10229	6.1
136.07568	4.9
137.05984	2.7
140.14320	3.6
145.10066	1.5
146.06067	2.3
147.04387	3.9
151.08652	3.6
154.95450	1.4
163.11140	2.8
165.09164	1.7
174.12776	2.6
176.14288	2.1
201.12366	1.7
204.06494	1.7
204.13850	9.5
219.01765	3.0
233.08134	1.3
234.29015	1.6
237.02948	3.4
254.11537	1.4
282.11237	2.1
308.11185	4.1
309.11417	3.1
310.74759	1.6
313.24533	1.5
365.09088	1.9
383.10010	1.9
384.14243	2.3
479.18967	3.5
511.15723	100.0
525.67426	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	510.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.5
57.03444	2.2
57.06794	2.1
57.07077	39.4
61.02920	2.4
61.76263	1.0
67.05507	11.2
67.24525	1.0
69.07072	8.6
71.08638	33.8
71.52494	1.5
73.02921	1.5
75.04470	1.3
79.05511	1.1
81.07060	16.9
83.08630	13.3
85.02901	3.9
85.10188	19.5
89.06068	1.6
89.39807	1.1
91.03950	1.5
91.05455	1.2
93.07040	2.2
95.08614	27.2
97.02891	2.9
97.10164	5.5
99.04470	1.0
104.10733	1.0
105.07034	1.3
109.10162	10.7
109.18887	1.1
111.11736	1.5
115.13081	1.0
123.11729	6.3
125.13273	1.4
137.13257	3.1
145.04903	1.4
146.88487	0.8
151.14825	1.6
198.67941	0.9
199.13751	1.2
237.31485	1.0
239.23723	30.0
257.24716	4.4
313.27383	100.0
331.28448	21.5
338.27844	1.2
383.27835	1.8
401.28836	3.0
510.33456	2.8
526.36102	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.8
57.03432	5.9
57.07071	3.1
67.05510	37.7
69.07061	7.6
69.26695	4.8
69.27103	9.5
79.05499	15.1
81.07065	23.6
83.08603	3.5
85.06525	1.6
89.06036	1.9
91.05493	8.1
93.07053	20.7
95.08616	100.0
97.06529	3.1
105.07053	4.3
107.08592	10.5
109.06582	2.3
109.10169	6.4
119.08603	3.9
121.10158	5.4
123.08094	2.6
131.08580	3.1
133.10085	3.3
135.11728	4.1
141.09111	4.5
145.10182	1.9
149.13295	3.0
155.67453	1.5
159.10172	8.3
159.11604	3.3
161.13242	2.6
163.14755	1.8
173.13275	2.8
215.12816	52.6
243.21066	2.8
261.22208	9.6
301.29565	1.9
335.25845	54.1
475.34204	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	510.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05360	0.5
58.27971	0.4
59.06684	0.4
65.03946	0.8
70.66376	1.6
80.05021	2.4
89.03913	1.5
91.05478	0.6
93.05782	2.1
94.06573	1.9
98.06046	1.1
104.05010	0.7
107.07368	3.2
108.04486	21.6
108.08123	100.0
110.92569	0.5
116.04981	8.3
120.08070	0.6
122.06042	2.2
122.09684	4.5
134.06017	0.5
135.06815	0.8
136.07590	4.7
140.07100	3.2
144.04456	12.7
145.05219	0.5
146.06018	20.1
148.07610	1.1
150.05522	3.1
150.09151	32.4
160.03935	3.2
162.05519	2.1
164.90303	0.5
168.06570	22.1
172.03943	37.4
173.04709	2.5
174.05519	17.4
178.08588	0.6
190.05006	38.9
191.05806	1.0
192.06572	0.6
204.06575	30.6
206.08142	14.8
213.13963	0.9
221.10823	0.8
225.10156	0.7
251.11853	0.6
252.08852	0.6
253.13374	2.5
267.11209	0.7
281.09735	0.6
281.12860	18.0
285.12427	0.7
287.10196	1.1
295.10953	1.2
297.12430	0.9
299.10281	3.0
299.13412	0.6
309.12350	66.4
313.11917	5.5
323.10275	9.3
327.13391	4.5
329.11163	2.4
341.11334	19.5
341.14944	1.6
359.12497	1.9
373.14014	11.5
436.18710	3.9
450.20370	2.3
460.18423	1.5
464.21527	0.5
478.19757	89.2
479.19690	1.0
492.21240	6.5
496.21149	2.6
510.22534	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	510.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61874	0.2
61.12854	0.2
65.03934	0.6
67.05512	0.6
70.06582	0.6
79.05472	0.4
80.05016	1.1
81.07050	0.7
82.06598	0.4
85.02911	0.5
86.09712	0.4
89.03912	1.6
91.05489	2.8
93.05789	2.7
94.06567	1.4
95.08639	0.3
98.20725	0.6
100.11265	0.3
105.07061	0.8
106.06565	0.8
107.07343	4.2
107.27113	0.2
108.04481	3.3
108.08122	100.0
109.08920	0.3
110.09734	0.3
116.04989	9.6
118.06541	0.2
120.08112	1.0
121.08895	0.6
122.06039	0.7
122.09679	6.4
127.03957	0.3
130.02898	0.2
132.04417	0.7
134.06012	1.0
135.06763	1.3
136.07584	4.4
138.09146	0.5
140.07068	0.6
142.20384	0.3
144.04462	11.7
144.05603	0.6
145.02867	0.6
145.04935	0.3
146.06018	10.0
148.07576	0.6
149.08382	0.4
150.09148	61.9
151.09526	0.3
152.07060	1.2
152.26178	0.2
154.05072	0.3
159.34500	0.2
160.03932	3.0
162.05528	1.6
168.06560	3.8
172.03941	29.8
173.04762	0.8
174.05516	8.6
178.05035	0.3
190.05000	39.8
191.05600	0.4
197.06989	0.3
198.11696	0.3
204.06569	17.4
206.08163	2.4
207.09216	0.5
209.07077	0.3
210.09134	0.3
212.13533	0.3
213.13876	0.9
221.10791	0.4
224.09421	0.3
225.10260	1.4
225.13823	0.4
236.09404	0.5
237.10492	0.4
238.10992	0.3
239.08261	0.4
239.11888	0.6
239.54941	0.3
240.09013	0.7
241.09651	0.6
248.05573	0.3
252.09067	0.8
253.09756	2.0
253.13341	2.1
263.08368	0.4
264.08844	0.4
266.10599	0.5
267.11337	1.1
269.09171	0.3
277.09811	0.5
279.11310	0.4
280.08456	0.3
281.09305	2.7
281.12823	15.7
283.10910	0.5
283.14374	0.4
285.12473	0.7
287.10257	2.3
295.10815	2.1
295.14008	0.4
297.12411	1.0
299.10300	9.1
299.13467	0.5
301.11914	0.5
309.12341	53.5
310.12897	0.3
311.10263	0.6
313.11884	3.0
313.15411	0.6
323.10275	8.2
327.13446	5.1
329.11298	5.1
341.11337	18.5
341.14731	1.0
355.12848	0.4
359.12183	0.5
361.14124	0.6
373.13870	1.3
408.19147	0.6
432.19113	1.0
434.20618	0.8
436.18759	6.5
450.20450	1.8
460.18784	2.4
464.22079	0.5
478.19760	73.2
479.20309	1.0
492.21405	2.9
510.22101	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.2
56.05028	0.5
57.03438	0.2
62.93523	0.1
67.01911	0.2
68.05044	0.2
69.03441	0.2
70.06600	0.9
70.83591	0.2
70.83929	0.3
72.08183	0.2
73.02879	0.2
79.05492	0.3
80.05023	0.2
81.07045	0.2
82.06539	0.2
84.08144	1.1
84.29815	0.1
85.02916	0.2
86.06049	0.4
86.09708	0.4
90.87360	0.1
91.05481	0.2
91.19250	0.1
94.06567	0.4
96.08147	0.2
98.06072	0.6
98.09706	0.3
105.07037	0.5
108.08100	0.2
110.06054	3.0
110.09687	0.2
119.08601	0.7
120.08101	0.5
122.06051	0.4
122.09678	7.4
124.07578	0.5
124.11213	0.5
131.08565	0.3
133.05028	0.1
134.09666	0.7
136.07562	0.4
136.11191	0.5
147.10443	0.2
147.11586	0.2
148.11223	4.3
150.09152	17.2
150.12663	0.3
160.11174	0.3
161.11996	0.2
162.12805	1.6
174.09239	0.1
175.09886	0.7
178.12280	7.0
179.12689	0.2
188.14384	0.8
190.12279	26.7
190.15842	1.7
191.12628	0.2
204.13884	0.4
205.16972	0.5
216.13867	0.6
233.16498	100.0
234.16800	1.5
425.19330	0.3
508.26581	2.1
509.26065	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13671	0.2
56.05022	0.3
58.96377	0.2
67.01906	0.2
68.05047	0.3
69.03416	0.4
69.50467	0.3
69.50870	0.7
70.06593	0.9
79.05488	0.2
84.08147	1.0
86.06091	0.2
86.09684	0.2
91.05514	0.2
94.06576	0.7
96.08109	0.3
98.06039	0.6
105.07026	0.4
110.06055	3.0
110.09679	0.2
119.08577	0.6
120.08089	0.3
121.23363	0.2
122.06029	0.5
122.09679	7.8
124.07596	0.8
124.11231	0.4
131.08540	0.3
132.08163	0.2
134.09680	0.7
136.07588	0.3
136.11195	0.6
136.93692	0.2
139.88623	0.2
147.10452	0.3
147.11690	0.2
148.10028	0.2
148.11218	5.2
150.09157	17.7
161.12019	0.2
162.12784	1.6
174.12914	0.2
175.09970	1.0
176.10782	0.2
176.14421	0.3
178.12282	7.9
188.10896	0.2
188.14326	0.6
190.12282	30.6
191.12614	0.5
204.13789	0.3
205.17038	0.7
216.13858	0.6
233.16502	100.0
234.16837	2.3
351.87857	0.2
425.19226	0.4
452.42099	0.2
472.16040	0.2
479.22513	0.2
483.26761	0.2
500.05371	0.2
508.26578	2.5
525.80811	0.2
526.27502	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.05483	0.7
57.03420	1.1
65.03931	0.8
65.11926	0.5
67.05473	0.8
68.23062	0.5
70.06592	2.8
71.04977	0.9
71.90653	0.5
72.08117	1.5
73.02922	0.7
75.16708	0.6
76.44611	0.6
79.05464	1.9
81.03411	1.6
81.07027	1.5
84.08141	3.0
85.02885	1.9
86.06041	2.0
86.09676	2.2
87.09995	0.6
89.03904	0.9
91.05451	1.9
93.07051	3.9
94.06526	0.9
97.02888	1.5
97.06484	0.9
98.09686	1.6
103.03934	0.7
103.05434	1.7
105.07005	2.2
107.08582	1.9
108.04482	10.0
109.02856	1.0
109.06508	1.2
111.08080	0.7
112.08757	0.6
113.68182	0.5
116.04971	4.9
118.06514	1.3
119.08575	0.9
120.03657	0.8
120.04469	9.4
120.08120	8.7
121.06496	1.4
121.10113	1.1
122.06053	1.3
124.07532	0.8
127.03904	1.3
129.10229	0.7
132.04482	0.6
134.06042	0.7
134.25653	0.7
136.07562	1.4
137.18091	0.7
140.07062	1.7
144.04459	8.2
145.02892	0.6
145.05002	1.4
145.10112	1.8
146.06015	8.8
147.04372	1.1
148.06393	1.2
148.07578	19.8
149.09592	1.4
150.05498	1.2
152.07048	0.9
158.09741	0.7
160.03976	3.1
162.05495	1.7
163.11171	3.2
166.08644	0.8
167.10645	1.4
168.06589	8.6
172.03938	26.1
173.04762	2.7
174.05521	8.7
181.12225	0.8
186.05615	0.7
190.04997	18.8
190.12416	0.7
191.10690	2.4
192.06514	1.0
204.06566	28.0
206.08118	6.1
206.09703	1.5
207.09233	3.0
208.09833	3.5
209.11938	0.7
213.09975	0.7
221.10753	1.9
222.07906	0.9
222.11574	1.4
223.12260	5.7
225.10170	1.2
226.10956	1.6
227.12752	1.8
229.13925	0.6
229.16191	0.7
233.10609	0.8
233.16452	1.7
234.09174	2.0
235.08665	3.3
236.09459	8.6
237.10211	1.6
240.08882	0.6
248.05498	0.8
249.06606	1.0
249.10167	0.7
250.07317	0.7
250.10970	2.7
251.11809	13.6
253.09721	0.7
254.10516	1.0
255.11218	1.1
262.08591	1.4
263.08130	7.1
264.08981	7.8
277.09872	0.8
278.10547	1.9
279.11301	35.9
280.11795	0.9
281.09482	0.8
287.10217	1.3
291.07758	0.9
292.08505	1.9
295.10828	1.5
297.12265	1.8
299.10184	2.2
307.10782	100.0
308.11359	0.9
311.14957	3.8
313.11813	3.9
323.10336	5.8
325.11783	11.1
329.11414	2.8
329.15250	0.6
339.13385	2.6
341.11331	10.8
353.15991	0.9
359.12332	1.4
361.13895	0.9
373.13947	5.4
374.25537	0.6
430.17542	1.4
432.18948	0.9
434.17102	4.6
448.18924	3.6
458.17303	2.5
476.18201	77.0
477.18015	1.0
490.19916	5.4
494.19543	1.7
508.20813	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	508.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09130	0.4
54.77374	0.5
55.27729	0.5
57.03432	0.7
58.14324	0.4
59.10763	0.5
68.04996	1.0
68.20313	0.5
69.28962	4.3
69.94290	0.5
79.05469	1.4
80.01358	0.5
80.04990	0.6
84.08116	2.2
86.06041	1.3
86.09695	0.9
89.03906	1.0
91.05464	1.4
92.04980	0.8
93.07023	1.9
94.06539	1.3
95.04932	0.6
98.05990	0.5
103.05421	1.9
104.05003	0.6
106.06527	0.7
108.04488	8.3
110.07123	0.5
116.04981	4.8
118.06497	0.5
119.07289	0.5
120.04474	9.4
120.08118	7.9
122.06041	1.2
129.10181	0.7
133.05005	0.6
134.06015	0.5
136.07535	0.9
136.64484	0.5
140.07034	1.5
142.86275	0.5
144.03384	0.8
144.04446	7.9
146.04855	0.5
146.06012	9.7
148.03917	1.3
148.07578	19.6
150.05510	1.0
152.07094	1.2
158.09689	0.7
160.03935	2.4
162.05472	1.6
167.07385	0.6
168.06583	9.6
168.07993	1.0
172.03929	26.0
173.04730	2.4
174.05502	11.4
181.08897	0.6
182.09662	0.6
182.31305	0.5
186.09079	0.6
190.04997	18.9
191.07375	0.9
192.06523	0.9
196.09818	0.7
197.10725	0.8
204.06566	26.8
206.08116	5.2
206.09694	2.1
207.09196	3.9
208.09987	4.0
209.10680	0.8
211.06941	0.5
221.10658	1.5
222.07793	0.8
222.11496	1.0
223.12300	6.2
224.10750	0.7
225.10229	1.2
226.10983	1.3
233.10774	1.0
234.09177	2.2
235.04095	0.6
235.08684	3.2
236.09428	9.1
237.10172	1.3
239.11853	0.9
248.05574	1.3
249.06549	1.2
249.10312	1.5
250.10963	1.9
251.11806	14.8
253.09665	0.5
254.10513	1.0
255.11357	1.0
261.10278	0.6
262.08469	0.8
263.08173	7.0
264.08975	7.8
265.09546	1.2
267.11224	0.6
277.05655	0.4
277.09845	0.9
278.07788	0.5
278.10538	1.9
279.11288	34.4
281.09335	0.6
283.10818	0.6
287.10483	0.6
291.07666	0.9
292.08408	1.2
295.10742	2.3
297.12308	1.4
299.10257	2.9
307.10773	100.0
308.11273	1.5
311.13898	1.2
313.11743	2.4
323.10251	5.8
325.11835	10.1
329.11325	3.0
339.13354	2.3
341.11301	11.7
359.12357	1.5
361.13980	1.1
373.14011	4.8
406.17697	0.6
429.80450	0.5
430.17609	1.0
432.18750	0.7
434.17188	4.2
448.18619	3.5
458.16901	3.2
459.67795	0.4
476.18176	77.6
477.18317	1.2
490.19690	5.6
494.18857	2.4
526.26752	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.01871	1.6
55.05512	0.8
56.05016	0.8
57.03431	1.0
57.80286	0.5
60.05651	0.6
66.34003	0.5
67.05496	2.3
68.05022	2.2
69.03428	1.9
69.07053	1.1
70.06598	3.8
71.01357	0.8
71.51868	0.6
72.08142	0.7
73.02923	1.0
74.06088	0.9
79.05483	2.5
79.05894	0.6
80.05023	0.6
81.03410	1.0
81.05823	0.7
81.07067	2.9
84.04546	0.6
84.08145	4.4
85.02895	1.9
85.08486	0.7
86.06062	3.7
86.09694	1.7
91.05465	1.4
93.07036	2.3
94.06564	2.1
95.04991	0.9
95.08612	1.5
97.02890	1.3
98.09719	0.6
103.05540	0.6
105.07038	3.0
106.06548	1.9
107.07338	12.0
107.08554	0.7
108.08113	1.8
109.10137	1.8
110.07179	1.4
110.09676	1.3
115.03920	0.7
118.20517	0.6
119.08540	0.6
120.04512	0.6
120.08116	2.2
121.06511	2.2
121.08855	1.5
121.10111	0.6
122.05989	0.8
122.09675	14.4
129.10222	0.7
133.06479	1.0
135.06851	3.0
135.07846	0.5
136.07570	1.7
138.05479	0.6
138.09128	1.1
148.07559	1.6
149.02354	6.5
149.03400	1.2
150.09145	100.0
162.10524	0.6
165.09116	2.7
182.28117	0.6
193.05006	5.6
195.87866	0.5
199.08578	0.7
211.08621	1.4
213.10228	0.6
223.08679	1.9
224.09444	1.3
225.10236	2.6
227.08160	1.9
229.14293	1.3
237.07600	5.0
237.10255	8.6
237.12411	0.7
238.11021	0.9
239.08177	6.2
239.11696	1.5
241.09740	1.7
247.08844	0.7
251.08112	1.7
252.08754	0.8
253.09721	7.9
255.08186	0.6
255.11276	1.4
265.09711	15.2
266.07587	0.6
266.10498	1.8
267.07608	4.0
267.11365	5.2
269.09134	0.8
277.09818	1.1
279.07739	0.8
281.09250	8.6
283.10818	5.5
287.10471	1.5
293.09213	11.1
294.10046	1.2
295.10803	12.6
299.10260	2.4
309.08804	1.5
311.10266	5.5
313.11832	1.4
321.08740	5.9
325.11804	1.1
327.09802	7.7
330.12387	1.0
339.09781	17.5
341.06982	1.1
341.11307	4.2
343.12573	0.6
353.11212	2.7
359.12387	10.1
371.12396	10.1
372.13553	0.8
385.09338	2.2
402.18155	4.0
420.19400	1.5
429.11758	3.5
430.17551	3.2
432.19089	1.6
436.18549	1.5
448.18726	22.4
458.17032	1.1
473.14398	1.5
476.18201	35.8
490.19852	4.7
508.20734	7.8
508.27725	1.1
508.83102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.01871	1.6
55.05512	0.8
56.05016	0.8
57.03431	1.0
57.80286	0.5
60.05651	0.6
66.34003	0.5
67.05496	2.3
68.05022	2.2
69.03428	1.9
69.07053	1.1
70.06598	3.8
71.01357	0.8
71.51868	0.6
72.08142	0.7
73.02923	1.0
74.06088	0.9
79.05483	2.5
79.05894	0.6
80.05023	0.6
81.03410	1.0
81.05823	0.7
81.07067	2.9
84.04546	0.6
84.08145	4.4
85.02895	1.9
85.08486	0.7
86.06062	3.7
86.09694	1.7
91.05465	1.4
93.07036	2.3
94.06564	2.1
95.04991	0.9
95.08612	1.5
97.02890	1.3
98.09719	0.6
103.05540	0.6
105.07038	3.0
106.06548	1.9
107.07338	12.0
107.08554	0.7
108.08113	1.8
109.10137	1.8
110.07179	1.4
110.09676	1.3
115.03920	0.7
118.20517	0.6
119.08540	0.6
120.04512	0.6
120.08116	2.2
121.06511	2.2
121.08855	1.5
121.10111	0.6
122.05989	0.8
122.09675	14.4
129.10222	0.7
133.06479	1.0
135.06851	3.0
135.07846	0.5
136.07570	1.7
138.05479	0.6
138.09128	1.1
148.07559	1.6
149.02354	6.5
149.03400	1.2
150.09145	100.0
162.10524	0.6
165.09116	2.7
182.28117	0.6
193.05006	5.6
195.87866	0.5
199.08578	0.7
211.08621	1.4
213.10228	0.6
223.08679	1.9
224.09444	1.3
225.10236	2.6
227.08160	1.9
229.14293	1.3
237.07600	5.0
237.10255	8.6
237.12411	0.7
238.11021	0.9
239.08177	6.2
239.11696	1.5
241.09740	1.7
247.08844	0.7
251.08112	1.7
252.08754	0.8
253.09721	7.9
255.08186	0.6
255.11276	1.4
265.09711	15.2
266.07587	0.6
266.10498	1.8
267.07608	4.0
267.11365	5.2
269.09134	0.8
277.09818	1.1
279.07739	0.8
281.09250	8.6
283.10818	5.5
287.10471	1.5
293.09213	11.1
294.10046	1.2
295.10803	12.6
299.10260	2.4
309.08804	1.5
311.10266	5.5
313.11832	1.4
321.08740	5.9
325.11804	1.1
327.09802	7.7
330.12387	1.0
339.09781	17.5
341.06982	1.1
341.11307	4.2
343.12573	0.6
353.11212	2.7
359.12387	10.1
371.12396	10.1
372.13553	0.8
385.09338	2.2
402.18155	4.0
420.19400	1.5
429.11758	3.5
430.17551	3.2
432.19089	1.6
436.18549	1.5
448.18726	22.4
458.17032	1.1
473.14398	1.5
476.18201	35.8
490.19852	4.7
508.20734	7.8
508.27725	1.1
508.83102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
55.05504	0.8
56.05017	1.0
56.08205	0.8
57.03430	1.8
59.12025	0.6
60.05654	0.8
60.19468	0.6
61.02925	0.9
65.03944	0.9
68.05022	2.3
69.03428	1.5
69.07062	0.9
69.18466	8.0
69.97577	0.7
70.06586	3.9
72.08162	7.3
73.02894	0.8
73.08469	1.5
74.16193	0.8
79.05491	2.2
80.01385	0.9
81.07082	0.9
83.75473	0.7
84.04501	2.5
84.08151	6.1
85.02895	1.7
85.07619	0.8
86.06072	5.9
86.09709	7.3
87.10052	2.4
89.03893	1.0
91.05526	1.6
93.07035	2.2
94.06551	1.1
98.09692	3.0
102.05550	1.6
103.05475	1.2
105.05843	0.8
105.07076	0.7
106.06586	0.8
108.04501	10.2
109.02884	0.8
110.07170	1.1
114.05538	2.1
116.04973	3.6
118.06554	1.2
119.08587	0.8
120.04475	9.5
120.08113	13.6
121.06518	2.1
121.08434	2.4
122.06042	2.0
127.03907	1.1
129.10219	1.2
133.04999	0.9
136.07582	2.4
140.14331	1.2
144.04434	8.9
146.06015	8.9
147.04396	2.5
148.06404	1.1
148.07584	18.9
150.05486	1.1
150.09155	1.4
152.07095	1.6
160.03952	3.3
162.05536	1.9
163.11183	1.2
168.06586	8.7
172.03940	27.6
173.04700	1.7
174.05498	9.2
177.66272	0.7
181.12344	1.0
186.82782	0.8
190.05000	18.9
190.12273	1.9
191.07237	1.2
191.10664	1.3
192.06544	1.2
196.11320	0.8
204.06567	28.8
206.08136	5.9
206.09795	1.7
207.09135	4.6
208.09894	3.8
209.10696	1.0
210.09253	1.1
215.13933	2.1
216.14145	1.2
221.10709	1.2
222.07738	1.1
222.11420	1.3
223.12263	5.5
225.10223	0.8
226.10893	1.0
233.10626	1.3
233.16492	5.9
234.09138	1.9
235.08690	3.6
236.09406	8.9
237.10329	1.3
239.11867	1.1
243.13489	1.8
244.13742	1.8
249.06517	1.4
249.10274	1.9
250.11066	2.4
251.11794	14.2
254.10489	1.1
255.11183	1.0
262.08533	1.3
262.16513	0.9
263.08224	7.1
264.08975	6.6
265.15475	1.2
266.15823	1.0
267.11325	1.1
278.10529	0.9
279.11295	37.5
281.09290	0.8
287.05496	1.0
287.10294	1.7
292.08353	1.9
293.09277	0.9
295.10684	1.8
297.12427	1.0
299.10272	2.3
307.10785	100.0
308.11594	0.8
311.14389	1.0
313.11908	2.0
323.10242	8.1
325.11813	9.6
329.11383	2.5
339.13336	2.7
341.11267	11.2
359.12338	1.7
361.13986	0.8
373.14066	4.0
430.17947	1.3
434.17355	4.0
448.18604	3.6
458.16995	2.5
474.31006	0.9
476.18201	79.4
490.19772	6.1
494.19125	2.4
508.20782	2.8
508.27054	1.4
515.46021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.00296	0.5
55.01852	1.2
55.05508	13.8
57.03426	2.0
57.07075	36.2
59.74903	0.5
63.31283	0.5
65.03922	1.9
67.05504	45.1
68.50833	0.5
69.06689	0.6
69.07068	16.9
71.04993	2.6
71.08631	26.0
75.31001	0.5
79.05491	24.6
81.03400	1.4
81.07053	60.8
82.71026	0.6
83.04973	5.4
83.08617	15.5
85.06541	2.6
85.10182	14.1
87.04482	0.6
91.05480	16.0
91.54110	0.6
93.07042	31.1
95.04975	3.6
95.08605	33.1
97.06533	7.0
97.10164	6.1
98.21514	1.6
99.08093	1.2
99.11720	1.0
102.45587	0.5
105.04519	1.0
105.07038	6.1
107.04932	0.8
107.08587	14.1
109.06508	1.0
109.10153	10.9
111.08072	3.0
111.11716	0.9
111.12457	0.5
117.07024	5.6
119.08554	1.6
121.06538	1.2
121.10143	7.5
123.08030	0.8
123.11704	6.3
125.13258	1.1
131.08548	6.1
133.10126	6.2
135.08064	1.7
135.11700	5.1
137.13229	2.0
147.11694	1.1
149.09579	0.7
149.13258	14.3
151.11226	0.7
151.14749	0.7
159.11693	6.4
167.14270	0.8
177.12718	2.9
195.13815	9.7
207.33632	0.5
213.14780	1.0
214.44949	0.6
221.22580	0.9
233.15385	0.7
239.23715	7.1
251.16330	1.0
265.31354	0.5
313.27408	0.7
507.40439	100.0
508.40903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3684
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03939	3.0
55.01868	2.4
55.05510	22.6
57.03435	8.9
57.07061	3.2
59.04992	3.2
65.03935	3.7
67.05507	100.0
69.03427	2.1
69.07062	12.7
71.04975	4.5
71.08628	1.4
77.77405	1.1
79.05495	29.7
81.07061	54.2
83.04984	2.5
83.08619	12.1
85.06539	3.6
88.04190	1.0
91.05487	18.1
93.06486	2.2
93.07047	30.0
95.04941	1.8
95.08609	37.3
95.25667	1.0
97.06518	2.7
97.10173	12.5
99.08087	2.2
105.07030	15.6
107.08598	25.6
109.10159	61.8
111.08085	3.8
117.07034	8.1
119.08594	19.4
121.06537	1.0
121.10154	17.7
123.11726	7.0
125.09653	10.0
129.07004	1.3
131.08575	11.9
133.10146	12.4
135.08012	1.3
135.11705	11.5
137.09624	3.5
137.13229	2.6
139.11194	2.4
142.07869	1.0
143.08582	1.5
145.10129	10.8
147.11690	9.0
149.13258	6.8
155.10661	4.2
157.10133	1.9
159.11722	8.7
161.13277	6.0
163.14799	2.4
169.10120	1.6
171.10208	2.0
171.11681	2.6
173.11728	13.8
173.13268	8.5
175.14781	2.6
176.74820	1.0
177.16312	1.3
185.13245	2.6
187.14841	3.4
189.11224	6.7
189.12656	1.7
197.13246	1.4
201.16508	1.4
211.14877	1.4
215.17967	1.5
227.12819	10.6
229.14362	43.4
231.15846	1.9
233.22745	1.1
237.18503	1.2
243.21094	4.8
259.20517	2.4
261.22159	22.4
263.23795	1.5
272.41949	1.1
279.23203	2.3
289.21231	1.5
291.23206	1.7
299.23816	1.7
317.24771	3.9
333.24210	1.5
335.25790	26.7
377.27515	1.1
379.29926	4.9
397.30835	9.4
415.32092	8.2
433.33087	4.9
449.32663	1.6
453.33325	1.1
471.34885	5.9
489.35757	59.1
507.27518	2.2
507.36755	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3684
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03936	2.7
55.01866	2.7
55.05516	27.9
57.03440	8.5
57.07063	4.9
59.04988	2.4
65.03936	3.8
67.05509	100.0
68.32174	1.2
69.03414	1.5
69.07078	14.2
69.65005	2.0
69.65416	5.3
71.04975	3.9
71.08627	1.5
77.03896	1.2
79.05499	35.7
79.05965	1.9
79.79815	1.1
80.92379	1.5
81.03395	1.3
81.07063	68.6
83.04971	2.9
83.08621	17.4
84.98942	1.1
85.06532	4.5
85.10218	1.7
91.05481	23.7
92.15804	1.2
93.06491	1.8
93.07052	35.2
95.04973	2.1
95.08613	46.0
97.06521	3.7
97.10170	15.3
98.21605	1.3
99.08088	2.8
105.04526	1.5
105.07032	16.3
107.08607	25.1
109.06503	1.3
109.10159	62.8
111.08064	3.2
111.11707	1.2
117.07058	7.0
117.07713	1.6
119.08580	20.4
121.06384	1.5
121.10153	19.2
123.08046	1.9
123.11732	9.3
125.09632	12.2
129.06969	3.5
131.08577	16.0
133.10141	13.7
135.08052	2.7
135.11688	14.5
137.09557	2.4
137.13263	3.5
139.11183	1.2
143.08565	2.8
145.10141	13.6
147.10632	1.5
147.11713	12.2
149.06213	1.3
149.09627	1.5
149.13246	11.6
153.09123	1.2
153.12766	1.1
155.08583	1.8
155.10655	4.6
157.10158	3.3
159.11694	10.0
161.13293	6.1
163.14839	5.4
171.10201	1.2
171.11742	2.9
173.11714	14.4
173.13275	8.0
175.14777	3.8
183.11783	1.5
183.46902	1.3
185.13275	3.4
187.14839	4.3
189.11201	7.1
189.16344	1.8
191.14261	1.7
195.00322	2.3
199.14848	2.5
201.16330	2.1
213.16460	1.4
215.18036	1.8
227.12798	10.7
229.14359	40.6
238.76434	1.1
241.19472	1.7
243.20978	4.7
249.99738	1.3
259.20612	3.6
261.22153	31.0
279.23074	2.4
285.22052	1.3
299.23767	1.4
317.24741	5.9
333.24088	1.6
335.25827	28.3
336.20239	1.2
379.29739	3.3
397.31012	9.0
415.32245	8.7
428.55096	1.4
433.33304	6.9
433.49765	1.2
449.32672	1.9
471.34958	6.0
489.35797	63.7
507.27194	3.0
507.36679	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.5
54.56741	2.5
55.01883	4.7
55.05508	26.4
56.05035	3.5
57.03419	6.7
57.07085	15.2
58.06584	3.1
58.92885	2.3
60.05641	2.9
61.02919	2.4
67.05176	3.5
67.05505	34.6
68.05007	8.7
69.03419	10.1
69.06726	3.8
69.07070	43.1
69.79762	10.6
70.06604	11.3
70.22543	2.8
71.04983	4.7
71.08619	7.8
72.08144	4.3
73.02903	5.4
74.06089	3.8
79.05500	25.5
81.03406	4.9
81.06602	5.4
81.07057	100.0
83.05015	3.4
83.08623	23.3
84.04512	3.6
84.08136	26.7
85.02895	19.8
85.06542	4.0
86.06076	22.7
86.09708	8.6
87.04506	3.1
91.05487	17.3
93.06478	3.8
93.07043	50.0
95.04961	5.5
95.08614	98.6
97.02868	10.9
97.06528	5.2
97.10174	12.1
99.08045	3.3
105.07053	23.5
107.04892	2.9
107.08603	43.7
108.08125	2.8
109.06493	4.0
109.10158	56.6
110.07153	5.2
111.08079	3.7
111.11698	10.4
113.07081	4.2
115.03910	3.8
119.04987	2.8
119.08606	14.9
120.08133	6.7
121.06538	5.7
121.10147	38.2
122.05984	3.0
123.08060	5.7
123.11715	39.8
125.09599	3.7
125.13289	5.8
129.10193	4.3
133.04941	4.1
133.10156	14.1
135.11699	40.3
136.07556	8.8
137.06017	2.6
137.13252	23.0
139.11182	7.4
145.10040	2.9
147.11691	21.0
149.13257	29.7
150.09180	5.2
150.12761	3.5
151.14841	5.4
153.12747	4.8
161.13254	9.3
163.14801	22.0
165.12778	6.0
165.16359	3.5
167.08228	2.7
175.14751	4.8
177.16359	10.6
183.13802	7.3
189.16353	6.1
191.17918	6.0
203.17993	5.1
204.06555	2.7
217.19505	6.5
247.24074	2.8
273.25793	29.6
291.26849	31.1
295.32080	2.5
309.27838	8.7
378.72073	3.1
381.44260	2.7
501.14819	2.6
507.28699	8.2
526.07056	4.9
529.67096	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	507.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
55.01857	4.9
55.05515	22.8
56.05051	2.8
57.03431	7.5
57.07064	10.4
60.05655	3.3
61.02920	3.9
66.30424	2.7
67.05511	38.3
67.36411	2.4
68.05016	4.6
69.03422	10.6
69.07073	35.9
69.84956	4.5
69.85386	11.0
70.06592	15.5
71.04983	4.4
71.08642	4.1
72.08150	5.5
73.02918	3.4
75.68359	2.8
79.05494	19.0
80.05030	2.8
81.03414	5.8
81.07058	71.6
83.05006	4.5
83.08613	18.4
84.04516	6.7
84.08152	20.7
85.02918	12.6
85.06544	5.4
85.10258	2.4
86.06064	12.9
86.09711	8.7
87.31535	2.7
91.05481	16.1
93.07052	41.6
95.04981	5.3
95.08616	69.6
97.02911	6.5
97.06526	3.0
97.10173	17.3
99.00817	5.8
99.04454	3.4
103.05446	6.2
105.07034	27.2
106.14316	2.6
107.04946	3.0
107.07346	4.6
107.08614	27.2
108.08180	2.9
109.06525	5.9
109.10160	43.8
110.07169	5.7
111.08102	5.6
111.11731	8.3
115.03966	4.0
117.06992	3.6
119.08595	14.2
120.08093	4.8
121.06499	31.9
121.10156	26.0
122.09664	9.3
123.07994	2.7
123.11718	28.6
124.03638	2.6
125.09632	5.2
125.13232	3.2
127.03851	3.4
129.10349	2.9
131.08594	4.5
133.10115	13.5
135.06778	2.8
135.10620	3.3
135.11676	25.3
136.07616	5.9
137.06027	6.2
137.09616	3.8
137.13277	12.5
138.06544	3.0
139.11189	8.2
143.08438	3.2
145.04988	3.1
145.10182	6.1
147.11684	14.6
149.02295	3.3
149.13228	20.3
150.09154	55.3
151.09462	3.0
151.14813	4.8
153.05568	2.8
157.10109	5.1
159.11714	3.0
161.13286	5.9
163.07619	3.3
163.14804	16.0
165.09131	4.5
165.12845	3.9
165.16545	2.8
175.07530	2.7
175.14836	3.6
177.16388	4.7
179.10735	3.1
181.05020	7.7
183.06616	3.3
183.13866	4.2
189.09146	3.8
189.16461	4.1
191.18011	4.8
193.12250	2.9
195.06529	18.3
203.17976	3.4
209.08127	8.8
217.19594	3.1
221.08160	4.3
223.09720	7.3
237.10555	4.7
247.24348	3.6
249.11078	3.5
250.10710	3.9
253.09796	5.6
263.11835	4.9
264.12167	5.5
265.09750	7.3
266.13721	3.8
267.11191	3.1
273.25742	18.3
280.11594	5.6
281.13031	2.9
291.16006	3.5
291.26721	13.1
292.11630	4.9
293.12857	3.4
295.10815	7.7
305.17557	11.0
309.12360	4.0
309.27805	8.4
310.12585	5.2
321.09036	3.6
325.11655	2.9
326.12082	4.0
327.09930	3.9
337.11798	7.7
338.12146	21.2
339.09802	7.2
369.21887	5.0
370.14761	3.7
371.12628	6.0
376.17035	3.0
387.16449	2.5
430.17609	4.9
448.18585	8.1
475.20505	8.5
476.18185	10.3
489.28793	10.8
507.21588	5.9
507.29440	100.0
508.21185	4.5
508.29648	3.3
525.86328	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	507.2207
Annotation	Repandin D
Peak:m/z	Relative Intensity
55.01884	0.6
55.05515	0.9
55.77475	0.5
61.75627	0.4
67.05501	2.2
68.05002	0.6
69.03413	0.7
69.07063	1.4
69.85392	1.3
69.85782	1.0
70.06589	2.3
73.02920	0.5
73.45587	0.4
74.90755	0.5
79.05477	1.6
81.07053	2.0
84.08144	2.1
85.02901	1.0
86.06059	1.2
86.09702	0.9
91.05479	2.1
93.07049	1.8
95.04961	1.3
95.08594	1.2
98.20832	0.6
102.22253	0.5
103.05473	0.6
105.07039	3.8
107.08585	1.5
109.10112	1.2
110.07193	0.7
117.07005	0.6
119.08604	1.1
120.08110	0.8
121.06543	2.4
121.10136	0.8
129.10228	0.8
131.08603	1.0
133.06557	0.6
133.10168	2.6
135.11621	0.5
136.07590	0.8
145.10109	0.6
147.04398	0.8
147.11691	0.6
149.09567	0.5
162.06779	0.6
171.11647	0.6
174.61508	0.5
185.04204	0.7
203.05319	0.7
241.15561	0.7
245.06291	3.7
259.16769	1.7
272.71658	0.6
287.16245	0.6
289.05371	4.8
301.17407	0.6
421.21899	7.9
463.23019	21.2
507.22031	100.0
508.22150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2723
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.03936	2.3
55.05278	0.7
55.05517	11.0
56.39095	0.8
57.03440	8.1
57.07063	1.5
61.55017	0.7
65.03922	2.1
67.05509	45.1
69.07078	11.6
69.15615	6.2
69.16029	1.5
71.04990	1.4
71.08646	0.7
77.03886	0.8
79.05500	28.1
79.68485	0.8
81.07060	39.0
83.04974	2.3
83.08616	5.0
85.06531	0.9
91.04924	0.8
91.05489	13.6
93.07051	34.5
95.04959	2.3
95.07987	1.4
95.08611	30.5
97.06536	2.9
97.10187	2.7
98.98473	43.1
99.08080	1.0
105.04501	1.1
105.07037	10.8
107.08591	15.5
109.06525	1.2
109.10171	13.7
111.08052	1.2
117.07021	2.9
119.08584	10.8
121.10149	14.1
123.08055	1.6
123.11740	4.2
125.09670	1.1
131.08574	6.6
133.10132	9.2
135.11707	10.0
137.00012	0.8
137.09589	1.4
137.13248	1.6
139.11140	1.0
145.10110	4.3
147.11693	5.8
149.13261	3.7
155.01056	17.5
159.11737	3.8
161.13289	4.3
163.14835	2.5
171.11671	1.1
173.02122	7.7
173.13231	5.0
175.14842	2.3
177.16412	1.0
179.74782	0.8
187.14838	1.8
201.16348	0.9
211.03629	1.6
227.12711	0.9
229.04701	2.1
229.14371	2.7
233.22852	1.0
243.21100	6.3
247.05795	2.7
256.44714	0.9
261.22122	13.4
299.23920	0.7
317.24753	7.5
329.78870	0.9
335.25818	100.0
336.26346	1.0
409.71149	0.8
415.22430	1.2
427.82880	1.0
455.09171	0.9
471.25070	4.3
489.35535	3.3
507.36743	3.0
509.11319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03953	3.0
54.57469	0.3
55.01879	3.3
55.05516	31.5
55.92108	0.4
57.03453	2.3
57.07082	12.2
65.03936	1.3
67.05510	30.3
68.70825	0.4
69.03441	0.8
69.07072	40.5
70.10168	0.6
70.10520	1.6
71.04984	1.9
71.08645	7.2
74.74434	0.4
79.05499	21.4
81.03417	1.9
81.07061	41.2
83.04993	5.0
83.08624	32.8
85.06551	1.9
85.10180	2.2
91.05491	12.4
93.07050	27.7
95.04981	3.5
95.08611	11.6
97.06544	6.1
97.10175	20.6
99.08083	0.6
103.34715	0.4
105.04520	0.9
105.07030	5.7
107.08602	14.4
109.06534	1.4
109.10152	1.9
111.08094	3.3
111.11728	6.2
113.09675	0.5
115.05434	0.5
117.07027	5.3
119.08613	1.2
121.06529	0.9
121.10148	8.6
123.08131	0.6
123.11721	2.1
124.64175	0.4
125.13289	1.8
129.06998	0.6
131.08557	5.2
133.10152	6.3
135.08095	0.8
135.11708	5.2
137.13300	0.5
139.11180	0.7
147.11702	1.2
149.09564	0.4
149.12062	0.6
149.13266	12.5
151.11154	1.3
159.11708	6.0
159.30078	0.4
163.14751	0.4
177.12750	3.3
195.13815	10.4
195.15494	0.7
213.14870	1.4
219.21130	0.5
233.15363	0.6
237.22151	8.4
244.77367	0.4
251.16507	1.1
269.17511	0.6
311.25864	0.6
362.83881	0.4
431.35709	0.5
505.38919	100.0
506.39456	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01875	3.5
55.05507	7.3
57.03437	2.2
57.07082	1.3
58.06585	1.4
65.78289	1.1
67.05515	8.6
69.03433	10.3
69.07068	6.9
69.21859	6.2
69.22289	5.1
70.06577	3.8
71.04990	5.1
72.08152	1.4
79.05492	13.2
81.03424	27.5
81.03919	1.5
81.07055	24.9
83.04967	3.2
84.08140	3.9
85.02896	5.2
85.06546	7.7
85.25672	1.1
85.30602	1.0
86.06044	2.6
86.09682	2.0
91.05468	7.4
93.07048	35.2
95.04954	4.0
95.08588	8.6
97.02913	2.9
97.06532	11.0
98.20776	2.5
99.04450	17.4
105.07032	31.9
107.04966	2.5
107.08594	41.8
108.43539	1.1
109.02877	27.7
109.06508	9.0
109.10171	3.8
110.06068	1.4
111.04491	2.4
111.08113	5.6
113.06000	4.0
117.07024	5.0
119.08582	12.7
120.08076	1.7
121.06520	18.5
121.10140	37.1
123.08041	5.9
125.06036	1.8
125.09599	1.3
127.03915	29.1
127.07583	2.0
129.10254	1.5
130.07777	2.6
131.08575	3.5
133.10150	2.6
135.08069	9.4
135.11705	13.4
137.09566	1.3
139.07576	2.3
139.11205	3.0
143.08635	1.7
145.10121	36.6
147.11691	5.0
149.09647	11.8
151.07532	3.5
153.12668	1.4
158.07224	1.8
161.09624	1.7
163.11185	91.8
167.10683	23.4
169.08606	27.9
169.09979	1.0
173.09610	9.0
179.10680	1.1
181.12242	16.6
185.11751	9.2
191.03372	1.8
191.10681	56.2
209.11742	50.5
227.12782	100.0
245.13780	3.0
269.13843	16.1
271.13226	3.7
289.14410	5.9
299.12805	4.3
301.59445	1.6
312.10394	1.3
317.13852	6.7
335.14825	9.2
335.43466	1.2
343.75366	1.3
353.11676	2.7
353.15952	45.0
364.35770	1.2
371.12540	1.9
371.16995	26.3
384.09512	1.4
389.18021	2.8
506.24738	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	505.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01873	4.1
55.05515	27.8
57.03436	1.9
57.07078	9.5
59.73309	0.6
65.03944	1.9
67.05508	27.9
69.07072	34.1
69.75501	2.0
69.75912	1.2
71.04993	2.5
71.08639	6.4
79.05499	19.8
81.03407	1.3
81.07062	37.0
83.04993	2.0
83.08621	26.8
83.09122	0.8
85.06550	1.7
85.10180	1.8
91.05482	11.3
93.07050	23.5
95.04986	2.5
95.08606	9.6
97.06545	4.8
97.10174	18.0
98.20814	1.0
99.08114	1.3
105.04498	1.2
105.07036	4.6
107.08607	13.2
109.06539	0.6
109.10170	3.0
109.90856	0.5
111.08076	3.1
111.11754	4.5
117.07013	4.5
119.08590	1.3
121.10154	9.5
123.08088	0.6
123.11723	1.9
125.13271	0.8
131.08586	4.3
133.10152	4.7
135.08078	0.8
135.11705	4.6
137.13187	0.9
139.11256	0.7
149.09651	0.7
149.13261	12.2
159.11725	5.8
177.12723	2.9
179.47510	0.6
181.49799	0.6
195.13840	7.2
213.14941	0.9
219.21164	0.7
237.22150	9.1
269.17627	0.9
344.05078	0.5
505.38922	100.0
506.39056	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
54.44105	0.7
55.01875	4.7
55.05515	47.4
57.03428	2.3
57.07085	4.8
59.04989	1.5
65.03932	2.3
67.05509	48.5
69.03442	4.8
69.06735	1.0
69.07076	15.7
69.36572	5.4
71.04991	1.4
71.08640	3.9
73.02923	0.7
77.03934	0.8
79.05499	40.9
80.62655	0.7
81.03432	3.5
81.07062	45.9
82.02383	0.6
83.04972	3.6
83.08624	30.0
85.06524	2.0
85.10145	1.8
89.06022	1.3
91.05489	22.6
93.07048	38.2
95.04959	3.0
95.08612	27.1
95.83469	0.7
97.06525	1.5
97.10175	49.4
98.46245	0.6
101.09653	0.9
103.05505	0.9
105.04498	1.3
105.06400	1.2
105.07041	15.4
107.08603	31.5
109.06531	1.5
109.10162	14.1
111.08074	3.9
115.05434	0.9
117.07010	5.9
119.08580	10.1
121.10147	17.6
123.08058	0.8
123.11732	4.2
125.09637	44.6
129.07088	1.0
130.30493	0.6
131.08578	8.4
133.10144	8.6
135.08035	3.5
135.11691	12.9
137.13269	0.9
139.11197	0.8
143.10661	2.2
145.10136	7.3
147.11710	5.5
149.13266	6.8
151.14697	0.6
153.09108	2.3
157.10153	1.5
159.11713	5.8
161.13237	4.3
163.14812	3.0
165.12839	0.7
166.09068	1.0
171.10194	4.3
171.11557	0.9
173.13248	5.2
175.14862	1.9
179.14302	0.7
185.13228	0.9
187.14778	1.7
189.11223	38.3
191.11688	0.8
193.12238	1.2
195.00307	17.1
227.12798	38.7
243.21097	3.8
245.13792	3.2
259.20538	0.9
261.22183	20.8
311.25790	2.0
317.24774	5.7
333.24216	1.1
395.29465	0.9
413.30472	1.9
431.31601	2.2
437.24432	0.7
487.34201	6.5
505.35196	100.0
506.35196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.9
53.03934	4.2
55.01879	7.3
55.05513	60.8
57.03434	5.2
57.07079	7.4
59.04691	0.9
59.04996	2.1
65.03931	2.9
67.05507	57.5
67.55450	1.0
69.03433	4.6
69.07069	21.3
69.18232	10.5
71.04981	2.9
71.08614	3.2
77.03911	1.0
79.05494	43.5
81.03396	1.1
81.07059	53.0
83.04971	4.0
83.08623	37.4
85.06513	2.4
85.10173	1.4
91.05483	24.1
93.07047	42.1
95.04951	3.7
95.08611	34.2
97.06511	2.9
97.10173	57.0
99.08086	1.3
102.12985	1.1
105.07040	16.5
107.08592	40.3
109.06501	1.9
109.09469	1.7
109.10159	20.0
111.08061	3.8
111.11719	1.9
117.07041	7.3
119.07789	1.4
119.08577	13.6
121.10146	16.9
121.74657	0.9
122.26633	1.0
123.08064	1.4
123.11694	4.4
125.09633	50.2
129.07037	1.6
131.08565	11.8
133.10144	10.6
135.08072	5.3
135.11691	15.0
137.13264	1.5
139.11186	1.1
143.10634	2.0
145.10115	7.2
147.11688	7.0
149.09644	1.3
149.13272	9.7
153.09084	3.3
157.10129	1.9
159.11716	7.4
161.13271	6.6
163.14780	3.5
171.10115	5.6
171.11446	1.3
173.11891	1.7
173.13231	5.0
175.11279	1.0
175.14793	2.4
176.99271	2.6
179.24806	1.0
187.14812	2.6
189.11223	41.5
193.12207	1.1
195.00305	66.8
201.16432	1.8
227.12788	56.6
229.14377	3.8
239.19565	1.0
243.21085	5.6
245.13843	3.4
259.20529	3.8
261.22141	23.7
311.25775	8.1
317.24689	5.8
333.24249	2.7
395.29242	1.3
413.30386	2.8
431.31302	3.1
487.23904	1.2
487.34210	11.0
505.25394	11.7
505.35126	100.0
506.35370	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3502
Annotation	Yardenone A
Peak:m/z	Relative Intensity
53.03943	0.6
55.01860	0.4
55.05283	0.3
55.05514	3.8
57.03410	1.0
57.07082	6.1
67.05507	6.7
69.07082	4.0
69.28555	2.4
69.28975	0.8
71.04950	0.3
71.08641	3.8
79.05499	3.1
81.02942	0.5
81.03419	9.6
81.07062	5.7
83.04970	0.6
83.08626	5.1
85.06524	0.3
85.10191	2.3
85.91293	0.3
91.05486	2.7
93.07053	2.0
95.04970	2.7
95.08607	4.4
97.06468	0.6
97.10184	2.9
103.05436	0.4
105.07047	2.0
107.04910	0.8
107.08631	1.8
109.06509	0.3
109.10175	3.6
111.08031	1.1
111.11663	1.0
115.05341	0.5
117.07012	0.5
119.08604	1.8
121.06469	0.4
121.10088	1.1
123.11662	0.7
125.09606	0.9
129.06934	0.8
131.08545	1.2
133.06461	0.3
133.10092	0.6
135.11635	0.5
142.07755	0.4
147.11630	1.3
149.09607	0.6
149.13229	0.7
157.10046	1.1
175.11156	0.9
175.12648	0.3
184.17834	0.3
189.11150	0.7
193.12262	6.8
195.09937	6.6
221.22581	0.4
227.12718	0.4
239.23653	1.0
249.14819	0.7
251.12553	2.7
261.22034	0.4
311.25720	1.4
321.93372	0.3
333.23947	0.9
376.86224	0.4
389.99622	0.4
505.34653	100.0
506.34952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
54.02005	1.7
55.01881	2.8
55.05517	19.9
56.05040	2.8
57.03444	5.4
57.07074	5.9
59.04996	5.4
60.04536	2.1
61.02940	3.9
62.31537	2.0
65.03949	2.6
67.05515	33.0
68.05038	3.7
69.03436	12.9
69.07078	35.9
69.77809	7.0
69.78210	3.1
70.06599	19.6
71.05002	18.5
71.75928	1.8
72.08167	4.4
79.05491	20.5
81.03436	6.0
81.07065	100.0
83.04978	4.9
83.08626	15.3
84.08157	13.3
85.02921	25.9
85.06548	14.5
85.10182	2.6
86.06091	5.8
86.09703	21.3
91.05481	16.1
93.07047	44.7
95.04991	5.6
95.08618	70.2
96.04515	2.1
97.02913	8.7
97.06541	10.0
97.10179	8.9
98.09727	4.4
99.04452	3.6
99.08119	11.3
105.07045	29.4
107.04950	6.9
107.08607	53.5
108.05318	2.2
109.02883	4.3
109.06509	5.3
109.10172	53.8
110.07184	2.8
111.08084	8.9
111.11766	2.6
113.07159	2.2
113.09656	15.9
117.07039	2.8
119.04984	2.3
119.08593	28.8
120.08089	6.3
121.06536	7.2
121.10161	40.2
122.09689	2.6
123.08059	3.2
123.11729	50.4
125.09649	9.9
127.03954	5.9
127.11213	13.8
129.06955	2.3
129.10275	6.6
131.08566	6.6
133.06473	1.8
133.10149	23.8
135.11707	22.5
136.07567	2.8
137.05988	3.7
137.09679	4.2
137.13306	13.6
139.11212	6.4
143.08495	2.0
145.05009	4.0
145.10178	9.3
147.04436	4.8
147.11702	27.0
149.09705	2.9
149.13255	20.5
150.09087	2.6
151.11227	6.2
151.14836	12.6
153.12779	6.3
155.10715	2.0
159.11717	14.0
161.13263	13.9
162.75636	2.0
163.11194	5.4
163.14857	17.1
164.07082	1.9
165.09187	7.1
165.12802	4.2
167.14369	3.6
171.56636	1.8
173.13290	6.0
175.14845	9.2
177.16371	9.1
179.14320	4.5
181.12192	3.8
181.15799	2.3
185.15396	6.2
187.14810	6.7
189.16396	3.8
191.17967	5.2
193.15990	4.0
197.15384	4.7
201.16417	7.3
203.17996	30.1
207.17488	3.3
215.17975	6.1
219.17494	2.8
221.19096	16.6
225.18428	4.7
229.19647	2.9
233.18884	3.4
245.22662	5.8
271.24237	16.4
277.25476	3.9
289.25296	28.4
295.26263	3.4
307.26376	39.5
314.06735	1.8
325.27432	52.1
343.28430	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	505.2644
Annotation	Leeaoside
Peak:m/z	Relative Intensity
55.05516	5.4
67.05497	9.6
69.03436	8.1
69.07068	12.2
70.06595	41.5
71.04993	2.2
71.52206	3.8
72.08151	4.9
81.07050	9.9
83.04961	5.7
83.08634	5.5
84.04487	2.1
84.08155	4.7
85.02927	2.9
85.41145	2.1
86.06072	2.9
86.09702	6.7
93.07056	7.5
95.04973	2.7
95.08603	18.6
97.02890	3.6
97.72433	2.1
98.06050	2.3
98.09721	2.6
99.23135	2.3
105.07030	7.5
107.08591	13.8
109.06506	7.0
109.10160	67.3
110.07197	2.7
119.08598	31.1
120.08112	9.9
121.10138	10.5
123.08056	10.4
123.11732	4.1
133.10146	13.1
135.11700	70.9
137.09665	11.6
137.10568	2.6
139.11166	3.0
144.34911	2.0
149.13243	5.2
151.11203	4.4
151.14810	7.6
153.80940	3.1
165.16443	3.7
171.99086	2.1
173.48253	2.2
175.14812	34.8
193.15892	65.0
203.05911	2.5
211.16956	100.0
229.15480	8.9
238.49763	2.7
261.03918	4.7
263.13898	8.9
336.46005	2.8
342.21347	2.4
351.05325	2.8
505.19086	71.0
505.26151	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	505.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39448	1.9
51.43674	1.8
53.03941	6.2
55.01873	6.6
55.05505	10.0
56.05046	2.3
57.03431	5.6
59.04984	2.1
59.83000	1.8
61.02926	2.2
65.03936	2.0
67.05511	17.2
68.05032	4.6
69.03433	19.0
69.07072	22.7
70.06597	17.1
70.81433	4.2
71.04993	8.8
72.08173	4.0
73.02895	3.2
77.96174	1.6
79.05493	17.9
81.03423	28.4
81.06592	2.6
81.07056	40.2
83.04987	5.4
83.08627	4.8
84.04494	2.6
84.08150	17.4
85.02913	22.7
85.06566	9.2
86.06081	5.8
86.09705	12.8
87.00819	3.8
87.04492	4.9
91.05478	17.0
93.07037	45.3
95.04958	10.0
95.08617	26.6
97.02885	12.8
97.06532	16.3
97.10176	1.8
98.09676	6.1
99.04462	17.4
105.01869	3.2
105.07027	35.2
107.08604	62.6
109.02883	33.6
109.06523	11.4
109.10163	13.7
110.07191	4.7
111.04472	5.2
111.08099	7.8
111.11706	2.3
113.06010	6.3
115.03904	3.1
117.07039	6.4
119.04889	2.3
119.08588	20.8
120.08112	7.3
121.06510	23.8
121.10148	46.0
123.08085	10.7
123.11719	6.9
125.02459	3.1
125.06020	3.5
125.09621	3.0
127.03922	37.0
129.10223	4.4
131.08600	6.8
133.04967	2.9
133.10104	11.1
135.08055	10.8
135.11687	17.4
136.07687	2.5
137.06027	2.1
137.09589	2.3
139.11168	4.6
143.08583	4.0
145.04950	4.0
145.10138	39.4
147.04431	3.4
147.11726	10.5
149.05989	2.4
149.09612	17.3
149.13283	3.7
150.09172	4.7
151.07628	3.2
155.08549	4.2
157.10097	5.9
159.11613	3.4
161.09584	5.3
161.13278	4.4
163.11191	87.8
163.14801	3.0
165.09103	4.6
165.12827	2.2
167.08589	2.9
167.10664	22.3
169.08643	25.8
169.10104	4.7
171.11684	3.6
173.09615	9.4
173.11763	4.1
173.13165	3.5
175.14848	4.7
177.16406	3.7
181.12233	22.0
182.10881	2.6
183.11713	4.4
185.09488	2.1
185.11732	6.8
185.13249	2.8
187.14844	2.2
189.09206	2.6
191.10683	52.9
193.15938	5.6
196.04858	2.1
197.13208	3.4
203.17964	6.0
209.09795	3.4
209.11732	45.1
211.16988	6.7
213.04173	2.2
221.18982	3.8
227.12790	100.0
233.04057	1.8
239.17888	8.2
239.20094	5.2
245.13918	3.1
255.06657	3.6
256.07004	2.3
257.07111	5.2
257.21048	5.8
269.13855	11.6
271.13400	2.6
287.05563	2.8
289.14243	2.8
299.12790	2.6
317.13882	6.7
335.14990	8.5
353.15961	38.5
371.16989	24.3
389.18051	4.6
474.20297	3.6
487.23691	2.2
505.23807	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	504.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
55.05514	8.9
56.05040	22.1
57.03444	3.0
58.06587	5.0
60.04507	3.9
67.05497	2.0
68.05022	4.5
69.03423	3.2
69.07071	2.7
70.02915	1.5
70.06596	33.4
70.70544	2.8
71.04977	2.7
71.06915	1.6
72.08158	89.9
73.04031	1.3
74.06083	100.0
82.06570	2.7
83.06081	6.3
84.04502	21.3
84.08147	20.9
85.02899	8.8
86.06082	9.1
86.09708	46.1
87.05632	2.0
87.10019	4.6
91.05488	2.0
95.04955	7.6
95.06120	1.7
96.08112	3.1
97.02874	3.2
98.06017	1.8
98.09697	19.2
99.04445	1.6
100.07618	16.8
101.07140	11.5
102.05527	4.3
109.10191	2.9
110.06033	5.6
110.07151	4.8
110.09699	3.5
112.03980	7.9
112.07600	3.4
112.08791	1.5
112.11268	2.3
113.07095	3.7
115.03925	2.0
115.08754	1.4
119.04929	1.3
120.08119	7.9
123.79488	1.2
124.07536	1.5
126.05483	1.3
127.03879	1.8
127.08686	7.2
127.12309	5.0
128.10725	7.2
129.10236	13.2
130.04974	2.5
130.08646	5.1
131.08148	2.6
132.10234	6.5
133.04959	1.9
136.07529	4.8
137.87292	1.5
138.05476	1.5
138.09091	2.6
139.08665	11.4
140.14360	6.2
141.06560	3.3
143.11786	2.5
145.09720	8.9
147.04408	7.6
147.07632	1.7
148.05995	1.8
153.09167	1.9
155.08162	36.5
155.11766	14.0
157.09755	3.2
157.13344	1.8
159.07654	3.0
167.08171	24.9
172.03955	1.6
173.09268	9.7
173.12866	56.0
175.10645	1.5
183.11301	10.7
185.09192	11.7
185.12898	2.2
187.14436	2.6
190.04945	1.9
193.09694	3.3
195.07738	2.9
199.18112	1.8
201.12343	33.8
209.15367	3.1
210.12389	7.8
210.15720	3.5
211.10773	3.3
212.10294	6.1
212.13942	1.6
215.13857	4.2
228.13507	3.4
231.17052	17.7
238.11874	48.4
238.15457	8.9
243.13322	1.7
244.13275	3.1
256.12939	58.8
259.18414	1.6
268.12927	2.3
274.13965	18.6
283.17731	1.9
284.16113	3.0
286.17740	2.6
286.21191	2.2
301.18689	2.7
309.19128	5.8
310.17612	3.6
314.20761	17.0
327.20364	13.1
329.18219	3.8
332.21735	8.6
337.18716	8.8
342.19385	1.4
345.21271	13.5
355.19781	55.9
373.20862	26.7
442.26587	1.5
450.25925	1.6
454.17630	2.8
468.28488	7.1
486.21100	2.0
486.29160	2.9
504.30460	2.9
504.60025	2.7
525.66821	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	503.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81788	1.5
53.03929	2.0
55.01866	2.5
55.05517	9.5
57.03445	1.7
61.82622	1.5
65.03938	1.8
67.05514	12.0
68.05036	1.8
69.07063	9.0
69.68985	8.9
70.06584	7.2
72.08121	2.4
74.06052	2.0
79.05484	8.1
81.03424	2.8
81.07061	22.6
83.08604	2.9
84.08157	8.0
85.02869	2.8
85.65187	1.7
86.06059	3.9
86.09684	4.7
91.05477	12.1
93.07044	19.1
95.04962	4.0
95.08614	28.5
97.02866	2.8
97.10194	2.8
98.21568	1.8
105.07040	36.0
107.08593	21.4
109.06492	2.6
109.10163	18.7
111.04488	1.6
111.08128	1.7
117.07016	2.0
119.07803	2.6
119.08585	25.1
121.06490	11.6
121.10165	15.6
123.08061	2.9
123.11691	6.2
125.09646	2.0
127.81820	1.7
129.07021	1.9
129.10222	1.9
131.08556	18.2
133.10143	26.5
135.08057	3.1
135.11684	9.6
136.07542	2.0
137.06007	5.9
137.13319	1.7
143.08539	5.2
145.10118	19.1
147.08058	4.7
147.11697	20.1
149.09622	3.4
149.13246	13.4
150.09126	6.1
157.10107	3.7
159.11722	8.4
161.09645	7.6
161.13246	15.7
163.11180	4.5
163.14825	14.9
171.11684	5.6
173.13249	21.4
175.14828	19.4
177.09019	2.1
177.16386	10.8
185.13274	3.3
187.14795	6.8
189.12733	12.5
189.16403	20.3
191.14339	11.7
191.17955	2.4
199.14804	4.2
201.16415	8.3
203.17961	100.0
205.12381	2.2
205.19582	3.1
207.13799	5.5
213.16426	2.6
215.14174	2.4
215.17824	2.1
217.15851	2.3
219.13713	2.8
235.16879	2.4
236.09184	2.0
237.10078	2.4
243.17476	6.8
247.16881	2.5
249.10204	8.0
249.18425	4.7
250.10802	3.1
250.88889	1.6
251.11826	3.4
253.14273	2.3
258.12363	1.8
262.10785	1.9
263.08218	2.2
264.08823	4.3
277.09689	6.4
278.10205	3.7
279.11169	7.2
293.09369	1.9
293.12741	5.2
305.09042	4.6
306.09277	2.4
307.10669	5.7
308.11063	2.0
309.12479	2.2
319.10818	3.1
320.11017	4.5
333.08707	3.9
333.15311	1.9
340.13757	4.5
351.09686	4.3
353.11310	2.0
354.12070	3.3
366.11932	14.9
375.30566	3.5
377.32025	6.2
393.31577	10.5
395.33026	8.3
411.32626	20.6
421.31021	8.9
439.32062	30.0
457.33151	49.8
475.20276	4.5
485.23907	2.1
488.17929	4.0
503.20139	45.7
503.27023	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	503.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.01871	4.5
55.05513	5.2
57.03440	2.1
57.07074	1.2
61.02892	1.4
67.05501	8.2
69.03437	10.3
69.07075	7.6
70.02812	4.7
70.06602	1.7
71.04989	5.7
72.08163	0.9
73.40216	0.9
79.05504	11.1
81.03425	25.9
81.07062	26.4
83.04982	3.7
83.08637	1.2
84.08143	3.0
85.02932	3.3
85.06541	7.2
86.06083	2.2
91.05473	5.9
93.07048	36.8
95.04973	3.9
95.08619	6.4
97.02898	3.7
97.06532	8.8
98.07178	1.1
99.04459	16.7
101.06025	1.4
105.07037	26.9
107.04951	2.0
107.08601	43.5
109.02888	30.8
109.06526	7.9
109.10161	2.2
111.04440	2.5
111.08081	5.7
113.06033	6.3
117.07035	3.6
119.08585	12.4
121.06509	16.1
121.10152	43.5
123.08080	4.5
123.11739	1.3
123.23412	1.0
126.35739	0.9
127.03927	31.1
127.07562	2.4
129.06967	1.2
130.07788	2.5
131.08566	4.7
135.08069	7.5
135.11681	12.8
137.09624	2.7
139.07565	1.4
139.11200	3.6
143.08571	1.9
145.10136	34.2
147.08057	1.3
147.11699	5.9
149.05998	2.0
149.09634	14.6
149.13251	1.2
151.07585	3.8
155.08493	1.0
161.09680	2.1
163.11192	94.6
165.12749	1.2
167.10672	23.8
169.08614	27.9
173.09608	8.7
175.07539	1.5
181.12248	19.0
185.11719	7.7
189.09161	2.0
191.10683	59.4
209.11743	53.8
216.97935	1.4
227.12799	100.0
229.12262	1.3
233.77888	1.1
245.13919	2.4
253.12277	1.2
255.06644	5.8
269.13898	15.6
271.13428	2.9
289.14285	6.1
299.12833	3.1
317.13837	7.5
335.14941	7.9
353.15961	44.9
354.98581	1.0
371.17032	29.6
389.18091	4.6
502.65704	1.5
515.61096	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2483
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
55.05502	1.2
57.03436	1.3
57.07071	0.7
61.02921	1.4
69.03437	4.7
69.07063	0.9
70.06593	1.3
70.31561	1.9
73.02896	0.6
79.05531	0.7
81.03425	3.6
81.07064	1.6
83.04998	1.7
84.08132	1.6
85.02905	10.7
86.06078	0.9
86.09702	1.3
91.05478	1.0
95.04973	1.6
95.08601	1.9
97.02888	4.3
99.04471	0.9
103.12511	0.7
105.07047	1.6
107.08593	4.6
109.02938	0.8
109.06509	2.8
109.10182	1.5
109.81690	0.7
110.07164	0.7
112.40302	0.6
119.08569	1.0
120.08130	0.9
121.10143	5.7
122.07253	0.8
123.08064	2.8
123.11681	1.8
125.13687	0.6
127.03911	2.6
131.08516	0.9
133.10178	1.6
135.08069	1.0
136.07579	1.1
137.09633	6.2
145.04976	2.4
147.11630	0.8
149.09616	4.2
149.13260	4.1
151.11197	9.9
165.12756	28.4
173.13300	1.9
188.36780	0.7
191.14288	10.7
193.15909	2.0
209.15372	100.0
210.15698	1.3
216.61685	0.6
261.36923	0.7
371.20743	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	503.2493
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
51.54793	0.8
53.03947	1.1
55.01866	1.9
55.05506	2.9
56.05034	2.5
57.03445	5.9
57.07085	1.3
57.31798	0.7
58.06586	1.1
59.04998	1.0
60.04520	1.2
61.02929	1.6
65.81155	0.8
67.05507	3.3
68.05035	3.6
69.03433	21.9
69.07067	5.5
70.06598	11.0
71.01392	0.9
71.04994	1.5
71.51251	1.3
72.08159	4.6
73.02911	1.9
74.06074	2.6
79.05482	4.1
79.59999	0.8
81.03429	4.3
81.07071	5.2
83.04984	7.9
83.08622	2.6
84.04510	5.1
84.08148	16.2
85.02912	19.6
85.06541	3.4
85.08467	1.1
86.06070	7.7
86.09705	18.4
86.10183	1.5
87.04478	3.0
91.03952	1.6
91.05472	6.3
93.07041	4.6
95.04978	3.3
95.08607	11.4
97.02901	18.3
97.06525	2.1
98.06051	0.9
98.09695	1.5
99.04480	1.9
101.07152	1.0
102.05515	1.7
105.07044	7.5
107.04969	1.8
107.08597	16.9
109.02909	4.1
109.06524	13.2
109.10149	3.7
110.07181	2.7
111.04461	1.7
111.08096	4.8
113.07120	1.6
115.03935	6.2
115.25455	0.8
117.07059	1.1
119.08593	6.9
120.08128	1.6
121.06531	3.9
121.10147	12.4
123.08103	4.0
123.11703	2.3
125.09637	11.7
127.03921	5.9
127.08694	1.2
129.06918	1.2
129.10257	6.7
130.04964	1.0
131.08566	10.6
133.04993	3.3
133.06532	1.4
133.10143	8.9
135.08061	17.2
135.09019	1.5
135.11708	8.0
136.07556	2.4
137.09657	1.7
139.03864	0.9
143.08591	2.7
144.09412	1.1
144.30629	0.8
145.04979	4.5
145.06453	1.0
145.10130	4.5
147.08023	1.6
147.11662	4.2
148.06091	2.0
149.05983	0.9
149.09631	11.9
149.13284	5.2
150.10457	1.8
151.11227	1.6
153.09111	4.4
154.45262	0.9
157.10052	1.4
158.10916	4.7
159.08037	1.8
159.11497	1.2
160.08875	0.8
161.09625	3.3
161.13361	0.8
161.67630	0.8
163.06142	0.9
163.11218	4.7
163.14806	8.0
165.12779	2.1
167.10696	2.4
169.10289	0.9
171.11658	1.9
173.09497	0.8
173.13275	29.3
174.13635	0.9
175.07654	1.3
175.11220	2.3
176.11992	2.0
177.09088	1.2
183.11641	0.9
185.13120	0.9
187.14908	1.0
189.12750	3.5
191.14319	100.0
193.12123	1.0
199.11096	0.9
203.10524	0.8
203.14368	1.8
207.13832	1.0
209.15384	71.6
215.14003	5.1
221.15410	3.1
231.10185	1.3
233.15446	1.8
243.13432	1.4
249.15063	1.1
257.15375	1.7
259.16922	1.0
261.14615	4.2
267.12344	2.4
269.15375	1.7
273.84457	0.9
275.16464	2.2
287.16455	2.3
305.17511	7.5
323.18536	40.5
341.19672	1.6
353.19626	2.7
382.52039	1.1
485.23990	8.0
503.24860	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21418	0.8
52.43704	0.8
53.81546	0.8
54.18552	0.9
55.05515	9.9
57.03440	13.1
57.07082	26.1
59.05000	2.9
67.05511	70.9
69.07067	3.9
70.69508	1.6
71.04990	3.3
71.08637	17.6
76.29319	0.8
79.05448	1.1
81.07063	17.4
83.08624	11.2
85.06550	2.5
85.10189	12.0
89.06024	1.5
91.05493	3.6
93.07047	2.8
95.08611	15.7
96.66992	0.8
97.10159	2.1
103.07587	1.5
107.08615	1.8
108.48148	0.7
109.10164	67.8
111.08079	3.1
111.11718	1.1
119.08615	4.1
123.11729	2.5
137.09636	2.1
155.10687	5.5
166.92529	0.8
167.17482	0.8
169.56731	0.8
173.11758	18.2
179.71510	0.9
213.62000	0.9
229.14369	100.0
239.23775	2.4
257.24789	2.1
313.27386	90.9
314.27756	1.1
331.88095	0.9
389.55249	0.9
397.32309	0.8
467.37357	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2486
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
55.05512	3.6
55.60901	1.9
67.05486	3.5
68.05035	2.0
69.03418	5.9
69.07047	4.9
70.06583	2.3
70.66137	4.6
71.04986	2.6
72.08155	1.7
77.69736	1.5
81.07053	4.3
83.04980	4.3
85.02910	2.8
86.06049	2.0
93.07033	4.4
95.08609	11.3
97.02896	2.2
97.06542	1.6
107.08603	17.5
109.06514	3.8
109.10150	11.0
112.26192	1.5
114.05576	2.2
121.06445	2.4
121.10156	17.6
123.08079	2.6
124.10104	1.5
124.17041	1.6
125.09635	12.6
131.08556	2.5
133.10124	6.9
135.08072	7.5
135.11673	4.2
137.09570	4.3
139.11177	2.3
147.11702	5.7
149.09607	7.2
149.13277	11.9
151.11182	55.4
158.10863	2.0
163.14833	9.1
165.12749	4.6
173.13264	7.7
191.14317	50.8
197.11777	2.2
209.15363	100.0
269.49603	1.4
419.18356	1.5
503.21521	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	502.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
57.07080	25.6
69.53707	4.9
69.54139	4.4
71.08636	50.2
82.28664	1.3
85.10188	26.7
87.04472	6.3
89.06036	100.0
91.05486	14.3
93.07057	13.0
95.05000	2.2
95.23709	1.3
103.05458	3.7
105.04499	1.8
105.07056	4.2
107.04946	4.4
107.08598	3.5
118.07778	1.5
119.04972	2.5
119.08592	4.7
121.06510	62.0
121.10145	2.1
127.14839	2.1
131.08562	2.2
133.08612	62.2
135.08083	6.3
147.08047	9.3
149.09612	3.0
150.06755	2.7
163.11147	5.4
165.09119	26.2
177.11252	23.5
191.10693	1.8
209.11780	10.5
221.13773	1.9
234.61028	1.3
235.13486	1.6
247.20583	16.4
253.14293	3.2
271.15268	6.9
273.21924	1.5
291.23187	31.6
315.18045	3.2
335.25793	8.2
337.23703	1.3
359.20627	72.3
385.26700	1.3
399.76703	1.5
406.04239	1.4
469.23325	1.7
485.34781	46.4
502.36966	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	9.3
57.03446	15.5
57.07078	33.9
59.04990	3.1
65.03957	1.4
67.05505	77.7
69.07065	8.1
71.04995	2.6
71.08632	24.3
81.07045	16.9
83.08624	10.9
84.19987	1.3
85.06525	3.3
85.10175	16.6
91.05464	3.8
93.07027	3.1
95.08600	20.3
97.10155	4.9
107.08585	1.7
109.10158	74.9
111.08099	2.6
117.30649	1.3
119.08600	4.4
123.11731	2.7
137.09625	2.1
144.89726	1.6
155.10663	5.5
173.11722	19.0
213.82376	1.3
229.14357	82.7
239.23796	2.5
313.27368	100.0
357.44440	1.5
467.37360	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01888	1.7
55.05515	8.6
57.03432	1.9
57.07074	1.3
67.05518	6.0
69.03433	7.5
69.07063	3.9
70.03941	4.6
70.06581	4.1
71.04992	11.6
73.02954	1.2
73.06544	1.2
78.43700	1.0
79.05492	9.5
81.03403	3.9
81.07056	25.3
83.04972	3.1
83.08651	1.8
84.08140	4.8
85.02908	11.3
85.06551	2.1
87.00842	5.6
91.05482	22.9
93.07045	20.9
95.04980	3.9
95.08607	14.0
97.02882	4.4
97.06515	4.4
97.10156	3.2
99.04452	2.0
99.08104	1.7
103.05508	1.2
105.01861	5.5
105.07034	79.6
107.08592	18.9
109.02889	3.1
109.06519	1.4
109.10147	8.0
115.03941	2.1
115.05410	1.5
117.07017	6.2
118.07816	2.0
119.08583	26.5
121.06464	2.6
121.10140	13.6
123.11679	7.8
125.09631	44.7
127.03915	6.1
127.11255	2.3
128.06194	1.1
129.10268	1.6
130.07748	1.4
130.08629	1.9
131.08568	9.1
133.10130	100.0
134.05992	1.2
135.11690	4.7
136.07582	1.4
137.09590	1.7
139.11153	1.6
142.07776	2.1
143.08562	1.8
143.10667	39.3
145.04939	2.6
145.10124	18.8
147.11687	34.0
147.12825	2.3
149.13277	2.6
157.10146	4.9
159.02888	2.2
159.07925	1.2
159.11702	15.4
161.13240	9.3
166.69023	1.1
167.10660	2.6
169.10172	1.1
171.11723	1.3
173.13246	2.5
185.13286	1.7
187.97057	1.3
188.82753	1.1
201.16371	14.4
203.10612	1.8
203.17923	7.6
209.11792	1.7
219.17444	53.5
221.19087	1.7
231.05070	1.4
233.11790	1.4
327.19543	1.3
347.34952	1.3
467.28751	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
54.74300	0.1
55.01871	0.3
55.05511	0.2
56.05033	0.2
57.03423	0.1
59.04998	0.1
60.04520	0.1
65.03944	0.1
67.05502	0.3
68.05031	2.2
69.03432	3.0
69.07082	0.4
69.26736	0.5
70.06593	0.3
71.04994	5.6
72.04482	0.1
72.08166	0.1
72.62428	0.1
73.02914	0.1
77.30862	0.1
79.05499	0.6
80.05009	0.1
81.03416	1.0
81.07063	1.0
82.06577	0.1
83.03715	0.1
83.04964	0.1
84.04507	1.6
84.08130	0.2
85.02891	0.2
85.06550	0.3
86.02412	0.1
86.06065	0.4
86.09702	0.2
87.04487	0.1
87.24431	0.1
91.05489	0.4
93.06480	0.1
93.07042	1.8
94.06538	0.1
95.04977	0.1
95.08632	0.2
96.04492	9.8
97.02905	1.7
97.06532	0.4
98.06077	0.1
98.09698	0.1
99.04458	0.5
100.48775	0.1
105.07031	1.2
107.04936	0.1
107.08591	1.7
108.04480	0.6
109.02890	0.8
109.06499	0.4
109.10168	0.2
110.06035	0.3
111.04400	0.1
111.08038	0.3
113.06010	0.1
114.05531	100.0
115.05888	0.3
117.07008	0.2
119.08587	0.4
120.04467	0.1
121.06492	0.6
121.10149	1.6
123.08043	0.1
126.05508	0.2
127.03922	1.0
127.07536	0.2
129.10251	0.1
131.08525	0.2
135.08047	0.4
135.11681	0.6
137.09619	0.1
138.05516	0.4
139.07658	0.1
139.11197	0.1
143.08492	0.1
144.06578	0.1
145.10138	1.3
147.11691	0.1
149.09630	0.6
151.07584	0.1
156.06561	1.9
163.11180	3.1
167.10692	0.8
169.08607	0.8
173.09656	0.4
174.98929	0.1
176.07077	0.1
180.06586	0.2
181.12233	0.6
185.11714	0.2
191.10686	1.9
204.06586	0.2
209.11739	1.2
222.07645	0.1
227.12791	2.3
240.08708	0.2
240.10965	0.1
258.09723	0.1
268.16788	0.1
269.13791	0.3
289.14291	0.1
311.14954	0.1
317.13791	0.2
330.09399	0.1
335.14960	0.2
345.32407	0.1
352.17514	0.1
353.15964	0.7
371.17007	0.6
389.18555	0.1
422.21719	0.1
466.20627	0.3
484.21783	1.9
502.22867	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	501.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
55.05513	9.6
56.05032	1.1
57.05816	1.1
65.03942	0.3
68.05032	0.3
68.24732	0.2
69.07068	0.5
69.41274	1.7
70.06596	4.6
71.04978	0.3
72.08160	100.0
74.06071	0.4
79.05491	0.3
81.07053	0.3
83.06141	0.3
84.04516	1.4
84.08146	4.0
85.02910	0.7
85.52757	0.2
86.06087	0.8
86.09711	4.2
91.05482	4.2
95.04980	0.2
98.09682	0.9
101.07160	0.6
107.04973	0.5
110.07182	0.5
118.06564	0.3
119.04956	4.9
120.08142	0.7
121.02902	0.5
121.06506	0.4
123.04447	1.2
128.74974	0.2
129.10263	1.7
130.04985	0.4
136.07584	75.2
137.07965	0.4
147.04416	0.7
147.07675	0.5
148.07550	0.5
165.05472	2.8
165.10211	0.3
176.07080	0.3
182.08125	6.9
186.08852	0.3
193.09735	39.6
201.12396	0.2
221.09216	39.1
235.14429	1.1
244.12909	0.2
247.14595	0.6
260.16010	0.6
263.14032	0.6
275.13919	6.0
281.14969	21.4
292.16367	0.5
320.16052	12.3
483.22214	0.8
501.17709	1.2
520.36548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.01869	0.3
55.05519	0.2
56.05031	0.2
60.04532	0.3
67.05499	0.3
68.05025	1.9
69.03433	2.4
69.07078	0.4
69.82082	0.5
69.82496	0.6
70.06592	0.7
71.04607	0.3
71.05000	5.4
72.08153	1.2
73.52172	0.2
76.43041	0.2
79.05486	0.4
81.03411	0.8
81.07068	0.6
84.04507	1.7
84.08141	0.7
85.02901	0.4
86.06071	0.4
86.09715	1.7
91.05512	0.3
93.07063	1.3
96.04495	8.7
97.02909	1.8
97.06563	0.3
98.09705	0.5
98.20842	0.3
99.04451	0.4
105.07041	0.9
107.08619	1.5
108.04468	0.5
109.02893	0.7
109.06553	0.4
110.06058	0.4
114.05536	100.0
115.05850	0.3
119.08575	0.4
121.06504	0.5
121.10147	1.2
127.03941	1.1
135.08031	0.3
135.11713	0.3
138.05453	0.4
140.14299	0.2
143.11810	0.5
145.10118	0.9
149.09644	0.6
156.06564	2.1
161.09569	0.3
163.11182	2.2
167.10681	0.5
169.08594	0.3
171.11377	0.5
173.09529	0.2
181.12231	0.4
184.47757	0.2
185.11732	0.2
191.10681	1.3
201.12477	0.3
204.06593	0.2
209.11699	0.5
209.15327	0.3
219.05675	0.2
219.13365	0.3
227.12784	1.7
284.19681	0.2
311.35614	0.2
332.22031	0.2
353.15866	0.4
371.17053	0.3
466.20874	0.2
484.22012	1.9
502.22812	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	500.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	22.4
55.74864	1.9
57.03443	12.9
57.07067	7.1
57.86551	2.0
59.04996	4.0
67.05507	71.0
69.07073	22.4
71.04979	2.7
71.08629	6.4
79.05524	2.1
81.07058	10.6
83.08620	21.7
85.06554	2.9
85.10175	2.3
91.05475	6.4
93.07033	3.9
95.08604	5.6
97.10186	17.0
98.20762	4.0
107.08582	3.3
109.10167	70.7
111.08102	2.8
111.11746	4.3
119.08591	5.1
135.11646	2.4
144.29590	2.7
155.10663	9.4
173.11754	21.7
215.20349	2.2
219.47815	2.4
228.73518	2.7
229.14355	100.0
311.25812	79.3
465.35806	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.1
55.01860	2.9
55.05514	14.4
56.05034	2.8
57.03431	4.1
57.07066	2.9
59.04989	3.2
61.02924	12.3
65.03932	5.0
67.05180	3.0
67.05505	39.5
68.99799	14.7
69.03431	18.2
69.07074	24.4
69.29642	7.5
69.30082	7.0
70.06597	12.3
71.04992	36.3
72.08140	6.1
73.02928	2.2
73.06543	5.7
79.05492	21.7
81.03421	16.3
81.07058	56.3
83.04960	7.4
83.08607	7.6
84.04468	4.8
84.08151	11.5
85.02911	16.3
85.06529	2.7
86.06068	3.0
86.09705	9.6
87.00824	7.4
87.04536	1.6
89.06030	5.1
91.05477	27.2
93.06481	3.2
93.07047	49.2
95.04967	37.5
95.08609	26.3
97.02903	13.1
97.06538	8.2
97.10162	4.7
98.09689	4.3
98.20623	2.0
99.04455	5.6
103.03938	2.1
105.01860	3.6
105.04552	1.7
105.07042	46.2
107.04941	1.8
107.08597	100.0
108.08089	2.2
109.02885	12.3
109.06502	7.3
109.10162	67.3
110.07208	2.4
111.04477	2.0
111.08087	49.3
114.05534	3.7
117.06996	4.2
119.08583	42.8
120.08124	3.7
121.06499	7.2
121.10152	30.1
123.08074	5.2
123.11710	12.6
125.08782	3.2
125.09636	45.9
127.03925	21.3
127.11189	5.7
127.41574	1.8
129.01810	10.9
129.06989	2.4
129.10248	4.4
131.08565	22.8
133.06447	2.0
133.10129	26.7
135.08031	3.2
135.11697	54.9
136.07629	2.0
137.09596	3.8
138.09163	3.7
139.11142	1.9
142.07726	3.7
143.08592	4.1
145.04907	2.9
145.09050	3.2
145.10121	33.5
147.02927	5.0
147.08054	12.6
147.11700	88.8
149.09650	3.1
149.13228	4.3
150.09146	1.8
151.07573	2.2
151.11159	2.6
153.12759	53.3
155.08443	1.9
157.10152	9.3
159.02948	2.0
159.07813	2.1
159.11693	15.6
161.09624	8.3
161.13228	4.9
163.11157	3.7
165.09108	3.2
165.12773	9.1
171.11578	2.9
173.09589	1.9
173.13257	7.7
175.11249	11.5
175.14845	10.1
177.12831	2.7
178.10864	1.9
179.10672	2.4
187.14885	1.9
189.12730	2.5
189.16399	34.2
191.10460	2.5
191.17961	4.9
193.15855	7.1
199.14853	6.1
207.17422	6.5
213.03946	2.6
217.15909	50.0
231.05040	4.0
235.14714	3.6
235.16927	45.6
253.17990	38.6
273.24969	2.0
325.17902	4.9
343.18484	1.8
439.22986	3.7
465.21030	7.0
483.22211	28.0
501.22635	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	500.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
55.05502	0.8
56.05023	0.7
60.04527	0.4
61.02924	0.3
65.03945	1.3
67.05504	2.2
68.05029	1.1
69.03425	0.8
69.07064	0.7
69.44813	1.4
69.45220	0.6
70.06596	11.1
71.04983	0.9
72.08156	3.4
74.06046	0.6
79.05489	0.4
81.03429	0.7
81.07065	0.7
82.54452	0.3
84.04515	1.1
84.08146	4.8
85.02902	0.9
86.06058	0.5
86.09708	5.5
87.10061	0.4
88.03960	0.5
89.03934	0.7
91.05486	10.8
93.07049	0.6
95.04964	0.7
96.04487	1.1
96.08144	0.7
97.02896	1.2
97.06544	0.3
98.09696	67.0
99.10013	0.5
100.07596	0.4
102.05537	0.6
103.03970	0.4
105.07029	0.7
107.04959	0.7
107.08642	0.4
109.10165	1.0
110.07173	1.0
110.09682	0.6
111.10487	1.0
112.11243	0.8
114.05534	8.0
117.03394	3.1
119.04947	28.4
119.08646	0.5
120.08109	1.4
121.06509	0.6
127.03924	0.7
129.10207	1.5
130.05023	0.4
131.08586	0.4
133.10085	0.3
136.07625	0.5
137.05971	1.3
138.09183	0.8
140.14345	21.8
141.14677	0.4
143.11830	0.5
145.02858	7.6
145.04872	0.3
147.04414	100.0
148.04761	0.6
149.06004	1.4
157.61201	0.3
158.15407	13.9
161.09657	0.3
165.09109	0.6
166.08647	0.7
171.04419	0.7
177.05463	9.1
177.06866	0.6
179.07082	0.4
201.05508	0.4
204.72255	0.3
205.06262	0.3
271.02615	0.3
303.18280	0.7
341.25497	0.3
343.11777	10.2
343.85645	0.3
500.26505	63.4
501.26712	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
57.07079	37.5
69.07062	2.0
71.08241	1.4
71.08634	24.8
73.06560	7.2
81.07076	0.7
83.08628	2.5
85.10185	20.3
87.04482	3.9
89.06035	100.0
91.07594	0.6
97.10172	3.2
98.20734	1.7
99.11729	3.9
107.07091	1.8
109.10175	0.6
111.11714	0.8
113.13255	1.1
117.09147	5.1
130.08662	2.7
131.07057	1.3
133.08607	52.9
135.10193	0.9
145.09973	0.6
151.09665	0.7
155.17973	5.1
161.11740	0.7
167.83647	0.8
177.11226	20.6
195.12276	0.9
199.20544	4.8
210.07352	0.5
214.85889	0.6
221.13826	4.8
239.14986	2.3
240.23251	0.7
243.23219	12.5
265.16464	0.8
283.17569	3.2
287.25836	7.0
314.51306	0.7
327.20142	14.4
393.32156	1.4
421.70163	0.6
429.35736	0.6
437.34909	1.8
481.37411	24.8
498.39838	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	499.216
Annotation	Val Glu His Asp
Peak:m/z	Relative Intensity
55.01865	0.6
55.05528	1.9
57.03442	0.4
67.05510	0.9
69.03428	1.0
69.07060	1.5
69.67682	0.6
69.68092	1.3
70.06599	6.1
71.05000	0.7
71.06923	0.4
72.08154	1.3
75.49651	0.4
79.05491	0.8
81.03425	1.8
81.07069	2.3
81.42755	0.3
83.05000	1.9
84.04501	0.4
84.08155	2.8
85.02907	1.2
85.06567	0.5
86.06089	0.5
86.09715	2.3
87.10051	0.5
91.05506	1.0
93.07067	1.9
95.04959	0.7
95.08621	1.6
96.04469	0.4
97.02895	1.0
97.06546	0.6
97.10175	0.6
98.09671	0.5
99.04449	0.9
105.07054	2.0
107.05029	0.3
107.08614	2.2
109.02889	1.8
109.06510	0.8
109.10139	1.1
110.07167	0.6
111.04453	4.2
111.08093	1.2
114.05528	1.5
117.07063	0.6
119.08588	1.3
120.08115	0.8
121.06532	0.9
121.10149	2.2
123.08071	0.6
123.11671	0.5
125.05967	0.4
127.03951	2.4
129.10268	0.8
129.11758	0.3
133.10153	1.1
135.11659	0.6
137.05989	0.5
137.09630	0.5
138.02852	0.3
145.10115	1.1
147.08057	0.4
147.11736	0.5
161.09627	0.9
163.11229	1.9
167.10704	0.7
168.89075	0.3
169.08626	0.6
179.10658	0.4
181.12300	0.4
187.10806	1.4
188.11159	0.6
189.09055	0.3
191.10722	1.3
191.14380	0.5
200.14059	0.6
209.11691	0.6
209.15366	1.1
225.11378	0.6
227.12834	0.7
243.10880	0.9
251.61858	0.3
255.08434	1.0
255.54347	0.4
273.09247	0.4
280.64548	0.4
281.15146	0.6
285.94034	0.3
337.90598	0.3
351.14069	0.6
353.15967	0.4
411.16309	0.5
437.21487	10.4
439.19226	3.7
467.53537	0.4
481.20660	0.8
499.21509	100.0
500.21967	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05514	1.9
56.05032	0.3
56.09092	0.2
57.03440	5.5
57.31712	0.2
58.06604	27.8
59.04983	0.3
59.07386	8.8
60.08167	9.3
65.03954	0.3
67.05506	5.5
69.07073	2.1
69.74426	1.2
71.56138	0.2
73.02916	1.2
75.04492	3.4
79.05515	1.3
81.07066	4.8
83.04946	0.4
83.08604	0.5
85.02906	1.9
85.10162	0.3
87.04472	5.1
89.48182	0.3
91.05476	0.7
91.13439	0.3
93.05501	0.4
93.07035	0.9
95.08624	2.4
97.06536	0.5
100.11270	0.3
103.03931	1.1
103.11268	0.3
105.05493	0.6
105.07023	0.7
107.08580	0.8
109.10125	0.7
113.05997	0.6
119.08578	0.6
121.10136	0.6
123.11698	0.5
129.05470	0.2
131.07051	1.9
144.10202	7.3
159.06555	0.6
162.11255	4.8
163.14389	0.3
186.89592	0.3
200.12881	0.3
218.13872	0.8
236.14937	100.0
480.31253	0.3
480.36847	20.6
498.37918	76.2
499.38263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.05503	1.3
56.05032	1.4
57.03434	1.7
58.06607	0.8
60.04512	0.7
62.31691	0.4
65.03942	0.5
66.13960	0.3
67.05510	4.7
68.05034	1.2
69.03426	0.8
69.07058	0.7
70.02966	0.7
70.06594	17.6
71.01332	0.5
71.04996	7.4
71.06933	0.4
71.52151	0.5
72.08160	2.2
73.02908	0.6
74.06076	0.9
75.04490	0.7
81.07056	1.6
82.06601	0.7
83.04999	0.6
83.06098	0.5
84.04537	1.9
84.08149	9.3
85.02905	9.2
86.06068	1.1
86.09705	4.3
86.16795	0.4
89.03907	0.8
91.05490	1.5
92.77081	0.4
96.08125	2.2
97.02909	0.9
98.09697	100.0
99.04503	0.4
99.10018	0.7
100.06428	0.4
101.07185	0.4
101.78114	0.4
102.05514	0.6
109.10180	1.4
110.06036	0.6
110.07178	1.7
110.09701	0.5
111.04427	1.0
111.10458	1.7
112.08692	0.7
112.11252	1.6
117.03394	3.1
119.04988	0.7
120.08139	2.0
121.02861	0.5
121.06482	0.5
125.06023	0.8
129.05498	0.8
129.10257	2.2
130.06525	0.4
131.15285	0.4
136.07605	1.7
137.06007	1.0
138.12817	3.5
140.14349	35.6
145.02853	16.1
147.04398	2.3
149.06030	1.3
153.05525	1.2
156.13828	0.5
158.14075	0.5
158.14447	0.3
158.15414	19.0
177.05472	38.2
179.03459	1.1
186.09425	0.4
187.10820	0.8
200.16664	0.9
222.02475	0.4
231.09801	0.5
234.57838	0.5
334.20111	23.0
335.20847	0.5
352.17584	0.7
352.21234	3.0
457.82422	0.4
466.24673	0.6
480.15756	0.7
480.26025	17.6
498.27039	85.0
499.27353	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29983	1.3
55.05515	8.4
57.03428	6.1
57.07084	1.8
65.03943	1.5
67.05510	39.6
69.07066	13.7
69.21679	15.3
69.26191	1.3
71.05006	2.6
75.97672	1.5
79.03013	1.8
79.05502	23.2
80.57533	1.5
81.03400	3.0
81.06595	2.7
81.07062	50.9
83.04988	3.4
83.08633	8.7
85.06522	2.9
91.05483	16.9
93.07046	32.3
95.04999	3.2
95.08627	17.3
97.06522	7.1
97.10154	2.2
105.07014	9.6
107.08595	19.9
108.07415	1.3
109.06534	3.1
109.10153	5.3
111.08080	3.7
117.07033	10.7
119.08569	4.8
121.06488	3.2
121.10177	8.2
123.11662	2.4
125.09656	1.7
129.06998	2.3
131.08592	12.5
133.10121	10.2
135.11671	6.2
145.10117	2.8
149.13284	13.9
157.10094	2.0
159.11673	8.2
171.11635	2.2
177.12740	4.0
190.67088	1.6
194.80220	1.5
195.13841	7.6
213.14885	2.4
251.16434	1.9
269.17487	57.9
307.59787	1.4
313.81000	1.6
353.24713	2.9
371.25595	3.4
389.26730	1.6
445.29523	14.4
463.30551	100.0
481.32327	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	498.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50052	0.3
53.46045	0.3
55.05510	1.4
56.05030	1.2
57.03436	2.0
58.06593	1.0
61.02930	0.4
67.05502	6.0
68.05024	0.7
69.03429	0.5
69.07059	1.4
70.06594	19.1
71.04996	11.9
71.06940	0.5
71.51708	0.7
72.08157	1.8
73.02925	0.6
74.06078	0.4
75.04492	0.5
79.05484	0.4
81.07060	1.5
82.06615	0.5
83.04986	0.8
84.04515	1.5
84.08150	7.7
85.02907	11.5
85.08508	0.4
86.06028	0.4
86.09686	3.0
86.74636	0.4
87.04443	0.5
87.05548	0.4
87.63372	0.4
91.05472	0.9
96.08106	1.8
98.09695	88.3
102.05574	0.4
107.04962	3.4
109.10152	2.2
110.07166	1.8
110.09650	0.6
111.04472	1.1
111.10462	0.8
112.08707	0.7
112.11273	1.2
116.07100	0.4
116.84473	0.4
117.94657	0.4
118.96210	0.3
120.08109	2.8
122.95726	0.5
129.05457	0.9
129.10263	2.0
133.05045	0.4
133.06351	0.4
135.04405	0.5
136.07565	0.7
137.04912	0.4
137.05980	10.1
138.12814	1.8
140.14343	47.3
141.14648	0.4
145.02888	0.8
147.04457	0.4
155.08203	0.5
158.15407	19.6
177.05505	1.6
187.10680	1.9
188.20146	0.3
233.16548	0.5
266.29892	0.4
283.15408	0.5
320.18573	19.1
334.20190	0.9
338.00119	0.4
352.21228	2.6
463.10294	0.5
466.24380	21.5
480.25677	0.6
481.11261	0.6
498.27011	100.0
499.20258	0.5
499.27200	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3628
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
53.03934	1.0
55.05509	2.6
57.07073	3.3
58.86544	0.6
62.85053	0.7
65.02026	0.6
65.68992	0.6
67.05501	3.6
69.07082	3.9
70.97906	1.2
77.95182	0.7
79.05478	2.9
81.07053	8.2
82.33981	0.7
82.79084	0.6
83.08624	2.3
89.06033	12.0
89.55479	0.7
90.06357	1.9
91.04993	0.7
91.05457	3.5
93.07048	7.1
95.04960	0.9
95.08606	11.3
97.10192	1.3
105.07030	3.1
105.24558	0.7
107.04969	2.2
107.08599	10.8
109.06513	3.8
109.10174	5.7
117.07037	1.6
119.04954	0.7
119.08566	9.3
121.06510	14.1
121.10147	10.3
123.08097	7.7
123.11710	11.4
125.09653	0.7
131.08607	2.3
132.54195	0.7
133.06508	1.4
133.08612	5.8
133.10149	2.5
134.08971	1.5
135.08041	5.8
135.11716	4.5
137.09576	1.5
137.13266	1.6
143.08586	1.0
145.06488	1.3
145.10153	4.0
147.08051	12.2
147.11737	1.5
149.09625	1.0
149.13286	2.3
151.14836	2.0
156.09317	0.7
157.10181	1.4
159.08061	13.5
159.09285	1.3
159.11688	4.3
161.09637	6.3
161.13217	1.1
163.11211	1.1
163.14824	6.2
169.10164	1.5
171.11679	2.4
173.09669	4.7
173.13266	2.2
175.11174	5.2
177.11218	1.1
177.16412	1.6
183.11729	1.4
185.09663	1.0
185.13277	1.5
187.11214	5.2
187.14841	2.4
189.12805	1.7
191.17963	2.1
197.13353	0.9
199.11211	1.9
199.14824	1.0
200.11987	0.9
201.12834	2.8
201.16379	3.4
211.14896	2.6
213.12817	1.5
213.16473	0.9
215.14394	1.2
215.18008	1.4
225.16380	1.0
229.15901	17.3
237.16502	1.1
243.17416	10.8
247.17036	3.1
257.19052	2.0
261.18726	1.0
283.17648	7.9
283.20526	1.1
284.17908	6.1
289.18121	1.3
303.19437	4.8
317.21396	0.7
329.21277	0.9
341.20837	0.8
343.22525	1.5
361.28867	1.3
369.24683	0.7
421.31033	8.1
439.32098	5.4
461.34348	0.7
479.35254	17.0
497.36270	100.0
498.36902	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	496.34
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05507	0.4
56.05044	1.2
57.03432	0.5
57.07080	2.9
58.06587	1.4
59.07389	0.4
60.08167	16.7
67.05505	0.6
69.07069	0.6
69.48120	1.2
70.06583	0.4
71.07377	6.4
71.08634	2.0
81.07039	0.9
82.83574	0.2
83.08627	0.7
85.10205	0.9
86.09710	50.4
95.08609	1.3
97.10140	0.3
98.98474	3.6
104.10749	100.0
109.10177	0.4
125.00011	27.4
143.01080	0.2
163.01566	0.7
181.02602	0.2
184.07347	96.9
185.07782	0.2
250.77284	0.2
258.11090	0.8
313.27380	2.1
419.25909	0.2
454.94958	0.2
478.32971	8.4
496.34000	38.1
497.34351	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1424
Annotation	CHEBI:67641
Peak:m/z	Relative Intensity
55.05505	1.1
56.96562	2.3
67.05508	1.4
69.07064	1.0
70.03986	2.6
70.06607	5.0
72.08155	1.9
79.05474	0.6
81.07056	1.7
84.04473	0.9
84.08144	4.6
84.96026	0.7
86.09716	3.9
93.07032	1.0
95.06117	0.8
95.08619	1.0
98.09682	1.9
98.97604	3.1
99.54887	0.7
105.07054	1.1
110.07144	0.9
116.98665	1.0
120.08186	1.4
123.04474	0.7
124.99133	0.9
128.98587	0.8
129.10252	1.9
133.06462	1.4
135.09125	0.7
143.00146	1.2
151.08638	3.5
152.15077	0.6
158.99661	1.6
170.99727	0.8
177.00667	1.1
219.01767	1.9
237.02927	0.9
265.40323	0.6
281.24561	0.7
285.12088	0.8
331.16656	1.2
351.06104	1.9
365.09460	0.8
411.19974	1.4
453.20908	1.6
497.14145	100.0
497.20395	8.4
498.14429	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
56.05036	0.9
58.06598	0.6
67.05508	4.3
69.07059	1.0
70.06597	10.9
70.24071	0.4
71.05004	1.1
71.37493	0.9
72.08150	1.0
81.07060	0.5
82.76212	0.5
83.91576	0.4
84.04524	0.6
84.08157	4.6
85.02938	0.7
86.09698	2.7
89.03925	2.8
91.05465	0.9
92.16467	0.4
96.08119	0.6
98.09696	97.2
109.10162	1.2
110.07186	1.4
111.10466	1.0
111.75598	0.4
112.11228	1.2
117.03371	10.3
120.08114	1.4
121.06553	0.4
129.10257	1.3
135.04391	0.6
136.07564	0.5
137.06038	0.6
138.35413	0.4
140.14348	33.2
145.02850	38.5
146.10648	0.5
149.06010	3.8
151.03900	1.5
158.15410	65.6
177.05478	50.7
177.07095	1.1
183.14992	0.5
300.11542	0.5
325.18024	0.6
334.20084	2.3
350.19632	21.0
378.87802	0.5
417.07370	0.5
496.25427	100.0
497.26019	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	496.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05029	0.4
57.03434	0.4
57.07077	0.8
58.06365	0.2
58.06635	0.4
59.07392	0.2
60.08170	5.7
67.05503	0.3
69.07074	0.2
70.06580	0.2
70.70582	0.2
70.70931	0.2
71.07378	2.6
71.08640	0.6
81.07053	0.5
84.08133	0.1
85.10180	0.3
86.09711	28.2
91.05460	0.1
91.68799	0.1
93.07040	0.3
95.08604	0.4
98.98475	2.5
104.10754	3.1
105.07029	0.2
107.08608	0.1
125.00014	19.9
143.01091	0.1
177.69214	0.1
184.07352	100.0
185.07741	0.3
258.11023	0.2
313.27325	0.4
414.52881	0.1
478.33005	1.0
479.34064	0.1
496.33963	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	495.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.2
57.07079	27.8
66.83822	3.6
67.05508	9.1
69.07069	16.5
69.52564	21.8
71.08636	24.4
79.05477	6.3
81.07058	23.3
83.08630	13.3
85.10165	12.4
85.10667	3.6
93.07053	6.9
95.08607	12.3
97.10168	7.3
98.20790	7.7
99.04448	4.2
105.07037	4.3
107.08617	4.7
109.06522	11.0
109.10148	10.3
111.08109	3.8
111.11732	5.8
116.53391	3.7
121.06494	4.4
123.08067	7.0
123.11732	5.4
125.06052	11.1
127.07576	26.2
131.08623	4.2
131.89066	3.8
139.06531	5.3
139.07555	72.4
147.11708	5.3
177.09093	8.7
205.19337	3.1
228.40572	3.2
231.91132	3.0
237.40572	3.4
261.72296	3.6
271.91794	3.9
277.56168	4.0
319.29892	5.5
347.33133	7.2
417.37216	11.8
445.36777	32.1
451.62552	4.2
477.39429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31333	2.4
53.03956	7.8
54.02368	2.4
55.01866	5.9
55.05513	78.2
55.65359	2.5
57.03445	13.3
57.07079	11.4
60.00962	2.6
65.03947	3.1
67.05509	79.5
68.68919	2.3
69.03433	5.2
69.07069	26.4
70.02872	10.3
71.04984	4.7
71.08623	6.6
79.05497	73.4
81.07059	100.0
83.04974	7.7
83.08614	24.0
85.06569	4.2
85.10181	4.2
87.04469	4.7
87.11378	2.1
89.06015	9.2
91.05485	24.5
93.07054	52.5
95.04947	5.0
95.08612	73.6
97.06509	4.1
97.10183	44.5
99.08071	2.6
104.71967	2.4
105.07052	19.3
107.08599	54.0
109.10172	33.0
111.11689	2.5
113.09614	2.7
117.07037	8.1
119.08582	13.4
121.10146	26.8
123.08064	3.8
123.11711	15.0
125.09624	35.8
131.08575	15.8
133.08574	6.0
133.10135	15.5
135.11694	20.3
135.90013	2.7
137.13300	4.6
143.08525	3.0
143.10640	8.1
145.10121	12.4
147.11697	10.1
149.13245	15.0
159.10510	2.9
159.11696	18.2
161.13264	7.0
163.14911	11.2
164.29790	2.5
173.13266	9.2
177.11214	2.7
177.16441	3.4
187.14867	5.6
199.13295	7.1
201.16444	2.2
208.31029	2.4
215.12744	12.1
217.14362	92.6
217.16454	4.7
243.21078	14.6
261.22159	61.1
279.23166	6.1
317.24838	8.4
335.25815	58.6
337.27359	13.3
353.26883	17.8
385.31052	3.9
403.31998	27.1
459.34833	4.6
477.35663	51.2
495.37427	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	495.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51587	2.6
55.01875	5.0
55.05512	74.3
56.82166	2.0
57.03445	14.1
57.07080	11.1
59.04994	3.3
65.03944	3.6
67.05508	92.5
69.03438	3.5
69.07072	23.5
71.04987	3.8
71.08632	5.5
71.38518	2.4
73.06527	2.2
76.36274	2.3
77.43616	2.1
79.05495	70.2
79.05972	3.3
81.07058	100.0
83.04993	5.8
83.05553	2.1
83.08618	33.3
85.06567	2.7
85.10226	3.2
89.06020	3.0
91.05479	25.4
93.07043	54.3
93.98577	2.2
95.05022	3.0
95.08612	70.2
97.06523	5.6
97.10172	46.9
98.20731	5.8
105.07032	27.5
107.08599	57.6
109.06516	2.4
109.10159	39.1
113.09564	2.2
117.07016	5.1
119.08577	18.4
121.10137	30.3
123.08070	3.8
123.11726	18.6
125.09628	36.0
131.08556	18.5
133.10152	14.1
135.11705	24.0
137.13286	7.3
143.10680	9.4
145.10156	10.7
147.10722	3.0
147.11679	14.0
149.13240	18.2
149.14038	1.8
151.14861	4.0
159.11678	13.7
161.13274	12.3
163.14862	12.9
173.13309	16.8
175.14859	5.9
175.16350	2.1
177.16417	3.0
179.14296	2.4
183.13928	2.5
187.14819	7.7
191.61047	2.4
199.13287	5.8
201.16467	2.3
215.12804	9.3
217.14354	66.2
228.84639	2.7
243.21063	19.1
261.22144	60.4
279.23145	4.5
316.19025	2.8
317.19302	3.5
317.24701	8.9
328.43793	2.3
333.24280	2.4
335.25803	60.0
337.27362	6.6
353.26834	10.5
385.30917	9.6
403.26907	3.8
403.32010	33.3
459.34818	5.4
477.35751	62.5
495.37173	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	495.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.8
55.01864	14.5
55.05521	34.0
57.03434	13.3
57.07072	6.8
59.04961	3.1
67.05509	91.9
69.03434	5.7
69.07071	26.9
70.06579	3.9
70.60487	9.5
70.99181	3.7
71.01346	3.6
71.04977	9.0
78.71455	2.9
79.05080	3.7
79.05503	57.7
81.03430	20.9
81.06595	4.7
81.07057	83.9
83.04988	15.9
83.08624	24.7
84.08134	3.0
85.02893	10.1
85.06505	7.2
86.09714	4.0
88.07610	6.4
91.05477	39.7
93.07047	61.6
95.04964	18.7
95.08614	31.8
97.02880	6.3
97.06538	20.9
97.10172	11.2
99.04421	3.3
105.07035	38.1
107.04953	8.9
107.08602	43.4
109.06508	8.3
109.10149	27.5
111.04443	6.2
111.08089	7.1
117.07035	18.6
119.08557	20.5
121.06508	6.8
121.10150	27.6
123.08121	3.7
123.11694	8.0
125.09631	12.1
129.07021	7.8
131.04941	4.2
131.08580	17.1
133.10173	16.1
135.11694	20.1
143.08537	4.6
145.06400	3.3
145.10138	16.4
147.08064	4.1
147.11690	7.3
149.02313	8.2
149.09650	4.9
149.13264	17.2
150.02748	4.9
153.12746	7.6
155.08583	5.2
157.10025	3.4
159.11679	8.0
163.11197	26.2
173.09610	9.1
177.12717	4.6
181.12209	7.8
191.10709	5.9
193.05029	8.1
193.12259	6.5
195.13809	11.0
209.11659	22.3
211.13210	4.9
227.12787	13.1
237.07462	6.9
238.07928	5.6
255.16093	3.7
265.14365	5.7
269.17511	9.7
283.15308	9.3
284.29617	5.0
285.29684	8.7
385.23749	4.1
423.27377	8.5
459.27328	6.2
460.27762	3.8
477.28604	32.2
495.29312	100.0
495.35483	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
55.05495	1.3
56.05037	76.7
57.03434	4.4
58.06606	8.1
60.04519	2.0
61.02932	1.1
68.05038	5.9
68.82471	1.0
69.03420	4.1
70.02959	4.1
70.06593	12.9
71.01356	1.0
71.52003	0.9
72.08160	7.2
73.02909	3.0
73.04017	2.2
73.30469	1.2
74.02476	1.4
74.06081	73.8
80.05025	1.5
81.04563	1.1
82.02937	3.9
82.06584	6.8
83.06109	1.5
84.04505	15.7
84.08141	19.5
84.95901	0.8
85.02908	3.4
86.06068	6.8
86.09702	25.2
87.05618	1.1
88.03979	5.1
91.05491	1.7
96.04498	2.0
97.02913	1.9
97.03996	3.2
98.06032	2.5
98.09679	1.5
99.05582	7.5
100.07641	1.4
101.07172	5.6
102.03796	1.4
102.05510	4.9
108.04478	3.6
109.04028	1.0
110.06042	12.2
110.07169	3.3
110.09700	1.3
111.04447	1.1
111.05557	6.2
112.08791	1.5
112.11246	2.4
113.07096	2.1
114.05494	1.6
115.03941	1.3
115.08705	1.1
119.04961	1.7
120.04836	1.6
120.08096	5.5
121.06499	1.6
124.11220	2.0
125.03497	2.2
125.07150	2.6
126.05524	3.7
127.03945	2.4
127.04970	1.3
127.08688	15.9
129.06589	1.1
129.10251	7.2
130.03223	3.4
130.04997	3.2
130.08615	1.8
130.10629	1.5
132.10225	8.1
133.04970	1.9
135.05573	1.5
136.03915	3.7
136.06235	1.2
136.07587	5.9
137.07127	3.0
138.05479	2.9
138.06473	1.3
139.04985	4.8
139.08751	1.3
141.06598	1.6
141.13866	1.9
143.04544	4.3
144.06558	4.2
147.04424	2.4
148.04271	1.6
151.04889	1.1
151.08598	1.3
153.06583	22.4
153.07813	1.1
154.04999	2.2
155.08159	1.3
158.11702	1.3
163.05025	1.6
165.06621	1.3
169.13370	3.5
171.04062	1.2
171.07687	4.6
181.06073	21.4
182.04564	1.6
183.07729	2.3
187.14484	2.3
189.08658	3.3
191.08469	3.3
192.07755	1.3
197.12830	4.6
199.05309	2.5
199.07141	38.7
201.08879	1.2
208.07222	1.1
211.07184	1.9
215.13911	26.4
217.06433	15.8
217.08264	3.1
220.07303	1.3
226.08208	2.3
227.06535	5.0
233.14955	14.2
235.07402	4.3
235.80840	1.0
236.06781	1.5
238.08249	5.5
243.13356	4.0
244.09334	1.0
245.05841	6.6
246.04199	1.5
254.07803	1.7
254.11389	2.2
255.06181	1.6
256.09384	2.5
263.06979	100.0
264.09772	2.0
272.08731	1.8
272.12448	1.6
282.10916	3.6
284.15961	1.3
300.11978	10.7
302.07983	4.2
306.83627	1.0
312.15344	1.8
320.09015	1.3
330.16733	2.6
336.12308	1.8
340.15149	5.4
346.10669	9.0
358.16159	3.4
364.11716	42.6
368.14508	1.4
386.15613	3.1
387.16626	1.1
395.19272	1.6
413.20303	4.9
431.20639	6.9
441.89413	1.1
444.73331	2.4
459.19116	6.6
477.20074	22.4
478.18961	1.8
495.21555	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	494.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.01870	3.7
55.05505	2.8
57.03426	2.4
67.05512	8.1
69.03442	11.0
69.07072	9.4
70.06582	3.0
70.07350	4.6
71.05000	6.4
72.08141	0.9
74.49056	0.8
74.92072	1.0
79.05069	1.2
79.05500	12.7
81.03426	30.8
81.07061	23.6
83.04979	3.9
84.08144	2.4
85.02906	5.5
85.06564	7.1
85.08441	0.9
86.09704	1.7
91.05482	9.8
93.07051	36.7
95.04983	4.3
95.08608	6.2
97.02887	4.4
97.06548	9.9
98.09682	1.4
99.04469	16.4
101.05994	1.4
105.07043	30.6
107.04980	2.4
107.08607	43.8
109.02894	33.4
109.06544	10.3
109.10172	2.8
111.04450	3.0
111.08065	3.8
113.06027	4.8
117.07015	4.8
117.75819	0.8
119.08601	10.9
121.06519	22.0
121.10158	42.3
121.11044	2.3
122.09649	0.9
123.08108	4.9
126.59756	1.0
127.03925	33.6
127.07577	1.6
130.07756	2.7
131.08546	3.7
133.06401	1.1
133.10127	1.8
134.80386	0.9
135.08087	8.8
135.11702	14.4
137.09616	1.6
139.07498	1.4
139.11171	2.1
143.08551	1.9
145.04895	1.4
145.10135	37.1
147.08057	1.6
147.11676	4.7
149.05997	2.0
149.09636	15.1
151.07524	4.4
155.08534	1.6
161.09653	1.5
163.11197	94.7
165.09193	1.0
167.10690	24.4
169.08624	27.5
173.09639	9.8
179.10699	1.0
181.12234	20.3
182.12587	1.0
185.11746	7.8
189.09070	0.9
191.10695	59.7
192.11108	1.1
192.58771	1.0
193.08583	1.0
209.11751	53.0
227.12808	100.0
228.13133	1.4
245.13904	2.4
253.12366	1.0
269.13922	15.8
271.13281	2.6
289.14371	6.3
299.12860	4.3
307.15338	1.0
311.14615	1.2
317.13831	6.3
335.14856	9.5
353.16010	48.1
371.17050	29.4
389.18280	4.9
423.19836	1.4
494.14993	1.0
494.24182	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	495.1841
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
55.05490	0.3
57.03427	0.5
67.05505	0.6
69.03424	0.7
70.06588	2.2
71.04982	1.3
72.08146	0.6
73.02912	0.4
78.94346	0.3
79.05479	0.3
81.03378	0.3
81.07061	0.5
84.04497	0.7
84.08147	2.1
84.65074	0.3
85.02905	2.7
86.06050	0.7
86.09716	1.7
87.04448	0.3
91.05476	0.6
93.07049	0.8
95.04942	0.3
97.02888	0.7
98.09670	0.8
98.20756	0.8
99.04441	0.4
103.03951	0.8
103.05405	0.3
105.07027	0.6
107.04973	0.4
107.08594	0.9
109.02866	0.3
110.07182	0.7
115.03931	0.4
119.04919	0.4
119.08545	0.4
120.08072	0.6
121.06482	0.5
121.10188	0.4
127.03924	1.1
128.04245	0.4
129.05418	0.4
129.10233	0.5
133.06528	0.4
134.07269	0.4
135.11684	0.6
136.07578	0.6
136.12032	0.4
138.05447	0.5
140.14311	0.3
145.04951	0.3
147.04370	0.8
157.06499	0.4
169.04707	0.3
171.04059	0.4
185.04292	0.4
185.05916	0.5
186.06415	0.9
229.06683	0.4
230.05499	0.4
238.98785	0.4
239.40224	0.3
246.40172	0.3
259.05582	0.4
279.09988	0.4
280.10489	1.1
295.10828	0.6
298.11676	0.9
303.47964	0.3
321.42429	0.3
331.09973	1.6
349.12494	3.6
364.41565	0.3
478.20847	0.4
495.18372	100.0
496.18628	1.3
501.05460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01842	0.9
55.05514	3.5
57.03406	0.7
57.07053	0.8
65.03918	0.8
67.05511	6.7
69.03402	1.1
69.07071	7.9
70.06566	1.6
70.66648	0.8
71.04967	0.9
72.08147	0.4
72.52278	0.3
79.05499	3.5
79.14820	0.3
80.47231	0.3
81.03408	2.3
81.06609	0.7
81.07057	12.2
83.01328	0.4
83.04955	1.2
83.08607	1.9
84.08131	1.6
85.02889	0.6
85.06536	0.5
86.09692	0.9
91.05485	3.4
93.06586	0.3
93.07048	4.3
95.04951	1.6
95.08616	5.6
97.02844	0.5
97.06513	1.0
97.10150	1.8
99.00795	1.6
99.04427	0.8
103.33698	0.4
105.07038	3.3
107.04939	1.6
107.07365	0.5
107.08611	3.6
109.02854	0.7
109.06516	1.3
109.10155	7.6
110.07167	0.5
111.04388	0.4
111.08057	0.6
111.11705	0.7
117.06987	0.9
119.04963	0.4
119.08571	4.6
120.08029	0.5
121.06477	1.4
121.10168	2.4
122.07279	2.2
123.04430	0.5
123.08022	0.8
123.11717	5.3
125.09626	0.8
127.03891	0.7
129.07051	0.8
129.10277	0.4
131.08586	0.8
133.06485	0.7
133.10132	2.1
135.04279	0.3
135.08041	1.3
135.11679	1.9
136.07588	0.8
137.05980	0.6
137.09625	11.6
137.13203	0.7
139.07565	0.6
139.11156	0.4
141.12704	0.5
143.08545	0.6
145.06448	0.6
145.10097	1.3
146.06067	0.5
147.04443	0.4
147.07996	0.4
147.11662	1.5
149.06013	0.5
149.09625	4.1
149.13278	2.3
150.09151	1.3
151.07535	0.6
151.09413	0.6
151.11226	0.7
153.05472	0.8
153.09079	0.5
153.12740	0.5
155.07103	0.4
157.10075	0.5
159.11720	0.5
161.05952	0.7
161.09621	1.0
163.07570	0.6
163.11166	1.1
165.09120	100.0
175.07515	0.7
175.11169	0.9
175.14722	0.5
177.05481	0.6
177.09131	1.2
179.10735	0.9
181.04971	1.8
181.12283	0.7
183.06529	1.0
187.11226	0.8
187.13380	0.8
189.09143	1.5
189.12761	1.0
190.09865	0.4
191.03352	0.6
191.10742	1.1
193.12213	0.7
195.06512	4.5
203.10750	0.9
203.14403	0.7
205.12245	7.6
209.08148	2.4
209.11694	0.7
221.08165	0.8
221.15492	0.4
223.09705	3.6
227.12883	0.6
229.12367	0.4
231.13779	0.4
235.09671	0.7
237.11246	2.2
249.11258	1.5
258.87201	0.4
265.14038	0.4
279.11172	0.4
283.15384	0.4
287.23636	0.5
289.21637	1.3
291.15887	0.8
291.19730	0.3
299.13947	0.5
300.14014	0.7
305.17563	1.4
305.21271	0.7
305.24701	4.2
307.19141	0.6
309.12503	0.5
310.12701	0.5
319.19189	1.2
323.25891	0.5
333.16974	0.4
338.12592	0.4
411.32831	0.5
439.32217	2.5
457.33438	3.5
475.31302	1.5
493.20444	1.0
493.31833	29.6
494.31870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24688	0.2
53.01939	0.2
55.05500	0.5
56.05027	0.7
58.09155	0.2
67.01886	0.2
67.05500	0.6
68.05013	0.5
69.03422	0.7
69.07037	0.3
69.32922	1.5
70.06598	3.0
72.08160	1.4
79.05489	0.5
81.03419	0.4
81.07044	0.5
82.06590	0.3
84.04494	0.6
84.08142	2.0
85.02892	0.4
86.06045	0.4
86.09702	1.9
86.81638	0.2
90.60892	0.2
91.05459	0.3
93.07036	0.4
94.06567	0.4
96.08131	0.5
98.06049	0.7
98.09701	2.5
102.05608	0.3
105.07026	0.7
107.08618	0.3
110.06052	3.3
110.07182	0.3
110.09695	0.3
111.41973	0.2
119.04949	0.5
119.08577	0.6
120.08099	1.5
121.06549	0.3
122.06007	0.5
122.09669	6.4
124.07584	0.6
124.11236	0.4
126.12728	0.2
127.03938	0.3
129.10243	0.7
131.08603	0.5
134.09633	0.9
136.07568	0.7
136.11208	0.5
140.14360	1.1
143.11728	0.2
146.09700	0.3
147.04411	1.8
147.10439	0.3
148.11218	4.2
150.09149	15.6
150.12781	0.3
155.08626	0.2
158.15395	0.3
160.11259	0.2
162.12776	1.5
174.09027	0.3
175.09967	0.6
178.12279	6.4
188.14394	0.3
190.12273	26.6
190.15866	1.6
191.12540	0.3
204.13911	0.3
205.17017	0.3
216.10339	0.2
216.13852	0.3
233.16495	100.0
234.16870	1.1
258.57166	0.2
287.05560	0.3
288.05801	0.7
369.19162	0.2
434.21838	0.2
492.26886	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	493.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.8
57.03439	5.4
57.07078	58.7
58.06602	4.5
65.01026	3.0
67.05499	19.0
69.07063	7.9
71.08634	39.9
79.05490	6.1
81.07055	27.4
83.08610	11.9
85.10178	18.3
87.79315	2.7
89.06044	2.7
89.70148	3.4
93.07050	4.8
95.08611	29.2
97.10159	7.1
105.06993	2.9
107.08607	3.8
109.10163	13.6
111.11675	3.1
123.11710	7.1
127.13007	2.7
137.13341	3.1
239.23683	36.5
257.24707	3.3
287.98129	3.3
313.27386	100.0
331.28189	4.2
357.39978	3.5
390.87650	3.1
498.56519	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.373
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
51.02362	0.5
53.03944	1.4
55.01863	0.8
55.05513	12.9
57.03436	2.1
57.07079	3.2
59.05006	3.3
59.85421	0.4
63.18892	0.4
65.03944	3.4
65.25504	0.5
67.05507	100.0
69.07072	10.4
69.27808	3.9
71.05004	2.6
71.08636	1.3
71.44086	0.4
79.05493	14.7
81.07059	49.7
83.04992	1.2
83.08624	9.4
85.06539	2.2
85.10184	0.7
91.05486	11.7
93.07046	16.2
95.04984	1.5
95.08611	33.9
97.06532	2.0
97.10178	3.3
98.21553	0.9
99.08098	1.3
104.46831	0.5
105.04549	0.5
105.07036	6.9
107.08596	8.6
109.06574	0.6
109.10160	60.2
111.08079	2.8
111.11750	0.6
113.09676	0.6
117.07039	1.8
119.08584	10.0
121.10154	6.9
123.08102	0.5
123.11715	5.9
125.09628	0.7
127.11201	0.9
129.07028	0.6
131.08583	2.5
133.10132	4.4
135.11685	4.1
135.22870	0.4
137.09628	2.9
137.13266	1.9
139.11209	0.8
143.08577	0.7
145.10147	2.0
147.11700	3.0
148.74664	0.5
149.13251	2.7
155.10690	3.0
157.10103	0.9
159.11711	1.2
161.13234	2.2
163.11143	0.5
163.14839	2.0
165.16428	0.5
171.11719	0.8
173.11758	14.4
173.13193	0.9
175.14832	2.1
177.16322	0.5
185.13348	0.8
187.14874	0.8
189.16425	0.9
190.51930	0.4
201.16403	0.6
203.48128	0.5
213.14830	0.8
229.14380	2.0
245.22684	2.2
263.23697	4.7
287.23825	0.5
300.86209	0.6
319.26456	1.3
381.31085	0.8
393.30182	0.5
399.32452	2.8
417.33594	0.9
473.36270	4.6
491.37375	84.0
492.37793	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41040	0.3
53.03934	0.4
55.05508	1.8
56.30235	0.3
57.03428	0.4
57.07085	0.3
65.03935	0.4
65.65505	0.3
67.05510	4.9
69.03423	0.8
69.07080	1.8
69.51907	0.3
69.97752	1.1
70.06577	1.3
72.08141	0.4
74.64079	0.3
77.03948	0.3
77.65492	0.3
79.05501	1.6
81.03429	0.7
81.07067	4.1
83.04964	1.0
83.08617	0.5
84.08147	0.7
85.02901	0.7
85.06540	0.4
86.09710	4.5
90.87695	0.3
91.05480	2.7
93.07041	2.5
95.04993	0.7
95.08612	3.4
97.02836	0.4
97.06492	0.6
97.10185	1.4
103.05470	1.1
105.07036	2.5
107.04961	0.9
107.08625	1.4
109.10155	6.3
111.08089	0.4
111.11726	0.8
117.07019	0.9
119.04932	0.3
119.08580	3.9
120.08111	24.6
121.06512	1.3
121.10116	1.5
122.07295	2.3
123.04489	0.4
123.08047	0.5
123.11707	2.2
128.10730	0.7
129.07002	0.4
131.08566	0.7
132.10222	1.4
133.10127	1.1
135.11696	1.0
137.09621	13.0
139.11174	1.2
141.07056	0.3
143.08661	0.4
143.11743	0.5
145.10155	0.6
147.04381	0.5
147.11688	1.1
149.09607	1.3
149.46069	0.3
157.12308	0.6
159.08043	0.5
159.11710	0.6
165.09116	100.0
166.09489	0.6
173.09634	0.3
177.09041	0.7
185.13242	0.3
189.09317	0.3
189.12476	1.6
193.04936	0.5
203.10713	1.0
203.12585	0.4
205.09766	2.1
205.12239	4.9
223.13306	0.4
233.18985	0.8
251.16606	0.6
287.20123	0.3
303.16980	1.1
303.23190	1.3
321.24344	0.5
332.24966	0.4
336.19168	2.5
360.19315	0.8
399.72141	0.3
437.30707	0.6
455.31763	3.1
473.28232	0.4
491.26761	0.5
491.33688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.9
55.01881	1.0
55.05519	1.4
57.03435	1.3
65.03951	0.5
67.01854	0.6
67.05508	15.8
68.05029	0.6
69.03431	4.3
69.07086	1.5
69.42477	2.5
70.06594	3.3
71.05008	1.3
72.08161	2.9
73.02934	0.6
74.06122	0.5
79.05491	2.0
81.03424	14.9
81.07063	8.9
83.04983	0.9
84.04507	0.7
84.08156	1.8
85.02908	3.9
86.06084	0.7
86.09708	5.1
91.05480	1.6
93.07063	3.8
95.04975	2.8
95.08620	5.7
97.02906	3.8
97.06531	0.6
98.21558	0.8
99.04472	1.7
99.08088	0.7
105.07016	0.6
107.04933	0.5
107.08598	2.9
109.02129	0.8
109.02885	15.1
109.06509	2.0
109.10160	40.5
110.03655	0.5
110.07154	0.6
111.04447	1.0
111.08130	0.4
112.80190	0.5
113.06007	0.4
119.08599	3.2
120.08115	3.5
121.06512	0.9
121.10155	1.0
125.05998	2.4
127.03941	6.6
129.10274	0.5
130.04996	7.2
135.08037	1.8
136.07631	0.7
137.09621	100.0
138.09933	0.6
144.83170	0.5
145.04974	0.7
147.04442	0.6
147.07994	0.7
155.10698	6.6
163.07552	0.6
165.09120	86.3
166.09515	0.8
183.10185	7.1
188.14316	0.6
201.09454	0.8
201.11232	10.5
203.10561	0.5
208.14360	0.5
216.13829	0.6
221.86534	0.4
231.17036	0.9
233.16547	1.2
234.15013	0.6
261.15997	1.1
287.05484	4.6
291.12204	6.5
309.13336	50.5
327.14389	15.1
328.14767	0.5
345.15344	2.2
474.19531	0.6
491.23328	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1191
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.00290	0.5
53.03946	2.3
55.01874	1.9
55.05501	1.2
56.05037	0.6
57.03442	2.2
58.99665	0.3
60.05622	0.3
61.02929	2.6
67.05505	1.8
68.05030	1.2
68.99799	0.9
69.03433	23.7
69.07064	1.0
70.06599	5.5
71.01335	0.4
71.04987	2.7
71.06921	0.5
71.51836	0.4
72.08161	4.8
73.02919	0.8
74.06068	0.4
79.05489	1.3
81.03425	11.2
81.07048	1.4
83.01353	1.9
83.04993	0.6
83.06119	0.5
84.04493	1.3
84.08138	3.9
84.68371	0.4
85.02909	23.4
85.06544	0.5
85.08483	0.6
86.03229	0.4
86.06071	2.5
86.09709	10.2
87.04464	0.6
91.05489	2.3
93.07051	2.0
95.04986	0.9
95.08596	3.4
97.02898	26.3
97.06567	0.5
98.09676	1.3
99.04466	7.8
99.05102	0.4
102.38535	0.4
103.03900	0.5
103.05462	0.4
105.07047	0.8
107.04984	1.0
107.08585	1.5
109.02886	46.0
109.10168	2.0
110.03230	0.4
110.07154	0.9
111.00812	0.8
115.03933	1.5
117.06973	0.5
119.08591	1.8
120.08112	6.6
121.02873	3.0
121.06513	1.3
121.10114	0.6
123.08044	0.4
127.03926	28.6
129.10246	1.6
130.05048	0.9
133.04971	0.4
133.10114	0.8
135.04453	0.4
135.06737	0.4
135.08018	0.6
136.06221	0.4
136.07599	1.0
137.02354	1.1
137.06033	0.9
137.09605	2.8
138.09132	0.6
139.03917	2.7
140.14375	0.6
145.04968	11.1
145.10123	0.7
147.04424	1.2
148.07582	0.4
149.09615	0.8
151.07599	0.6
153.01831	3.8
155.10648	0.4
157.06483	0.5
161.09633	0.5
163.11194	0.5
165.01837	1.7
165.09146	1.8
169.04958	5.8
175.07385	0.4
183.02905	1.1
183.10187	1.2
185.05994	1.1
185.16440	0.8
187.06027	6.6
189.12794	0.4
191.10632	0.4
201.11096	0.8
202.12297	0.4
205.07089	8.8
205.08936	0.7
208.14182	0.5
213.05492	1.3
213.15987	1.4
216.13971	0.5
231.06590	0.8
231.17015	0.9
233.16492	1.0
241.05006	0.9
258.05234	0.9
259.06073	0.4
261.16000	1.2
277.15524	0.7
279.17059	1.4
287.05511	100.0
288.05942	1.1
291.12320	0.4
309.13309	1.3
327.14441	1.2
361.17697	0.8
407.18201	0.5
407.42517	0.4
450.19873	0.4
459.16754	0.8
463.20404	0.7
491.20029	3.9
491.25955	1.1
505.66812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1191
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
53.03951	2.1
55.01856	0.6
55.05508	0.3
57.03446	1.0
61.02929	1.1
67.05511	0.2
68.99795	0.5
69.03434	7.9
69.07079	0.3
70.05477	0.8
70.06571	0.5
71.01351	0.3
71.04975	0.8
73.02908	0.8
79.05478	0.6
81.03423	9.9
81.07051	0.8
82.31466	0.2
83.04977	0.3
84.08137	0.3
85.02909	6.2
85.06542	0.3
86.09692	0.2
87.04451	0.3
89.33580	0.2
91.05482	0.5
93.07038	1.6
95.04984	0.5
95.08588	0.3
97.02306	0.3
97.02900	5.6
97.06537	0.5
99.04452	2.1
105.03428	0.3
105.07032	1.7
107.04964	0.4
107.08586	1.7
109.02884	7.5
109.06523	0.7
111.00788	0.8
117.07008	0.4
119.08572	0.5
120.22835	0.2
121.02867	2.4
121.06505	1.3
121.10161	1.5
123.08080	0.3
127.03924	6.8
131.08566	0.3
133.02827	0.4
135.08064	0.8
135.11700	0.5
137.02357	0.6
139.03868	0.2
139.11145	0.3
145.04953	1.5
145.06128	0.2
145.06310	0.2
145.10136	1.6
147.04433	0.6
147.11682	0.2
149.09621	1.2
153.01839	3.4
157.06508	0.2
163.11180	3.4
165.01868	1.6
167.10703	0.8
173.09642	0.4
176.92210	0.2
181.12251	0.9
183.02905	0.7
185.05933	0.5
187.06017	5.5
187.07559	0.2
189.05406	0.3
191.10674	3.0
205.07100	0.4
209.11780	1.1
213.05504	1.3
217.05042	0.3
227.12822	1.5
231.06554	0.6
241.04961	0.8
258.05267	1.0
287.05505	100.0
288.05865	1.0
311.14880	3.2
338.12317	0.3
353.15872	0.5
432.25012	0.2
455.18344	0.2
486.87482	0.2
491.20261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
55.05509	1.7
56.05036	3.3
56.96564	1.3
57.03438	2.7
58.06602	0.9
60.04529	6.5
61.02945	0.9
61.31899	0.4
68.05029	5.2
69.03425	3.1
69.78730	2.1
70.02931	0.6
70.06594	100.0
71.01359	1.4
71.06904	0.5
72.08159	18.1
73.02929	2.3
74.06085	13.0
77.63174	0.4
78.81185	0.3
82.06583	0.7
84.04508	4.2
84.08145	9.4
84.96040	1.1
85.02898	3.6
85.07680	0.7
85.08440	0.5
86.06071	10.6
86.09709	5.0
87.05587	4.6
87.06403	0.6
88.03982	0.8
91.05499	0.6
96.04479	0.6
96.08137	1.0
97.02901	1.9
98.06064	0.4
98.07172	0.6
98.09663	0.4
98.97600	1.5
101.06040	0.5
101.07139	1.0
102.05543	0.9
103.03969	0.4
106.05041	0.4
109.02885	0.4
110.07178	1.5
110.09689	0.5
111.09243	0.5
112.07610	0.5
112.08733	1.4
113.07131	0.9
114.05524	1.2
114.06667	0.5
114.09179	5.0
115.03938	1.7
115.08644	0.4
116.07114	1.3
116.98608	0.7
119.04930	0.8
120.08120	7.1
125.07121	0.5
127.03942	0.9
127.08665	1.3
128.07056	1.0
129.10242	3.2
130.05025	1.5
133.04985	1.6
136.07591	2.6
137.07106	0.4
138.06625	1.0
138.09135	1.0
139.08731	0.5
140.07106	0.4
141.06570	0.9
147.04460	2.3
147.07661	1.6
149.05888	0.5
153.10269	2.3
155.08151	1.7
155.11784	0.5
159.11293	35.1
164.10715	0.6
165.06583	0.6
166.08656	3.8
167.08141	0.7
171.11270	4.0
172.09161	0.4
177.00685	0.4
181.09697	1.9
183.07672	0.6
185.09204	2.1
187.10793	14.8
199.10777	3.7
201.12373	0.9
203.10277	91.1
209.10353	1.2
215.13872	1.1
219.01805	1.5
233.15143	0.4
237.02853	1.1
243.09790	1.2
243.13423	1.2
244.12881	0.4
258.10645	0.4
260.12439	1.0
260.16116	1.0
270.14423	0.8
286.13925	3.0
288.15536	8.3
304.15027	20.5
341.18256	1.0
367.19919	0.6
389.21317	0.6
392.20218	1.4
392.53781	0.5
411.88147	0.5
422.88998	0.6
427.96359	0.5
430.10080	0.4
440.56821	0.5
444.89606	0.4
455.90475	1.0
456.24109	0.6
472.18176	0.5
472.24127	4.6
490.13290	0.9
490.24731	1.4
500.05521	0.5
505.05792	1.1
505.25879	0.8
505.45758	0.6
508.66068	1.3
508.86517	2.1
509.06577	1.1
513.46271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
54.38169	0.4
54.90224	0.4
55.01881	0.8
55.05514	1.8
56.20942	0.4
57.03445	10.0
59.05010	0.6
60.04522	0.5
61.02937	1.5
65.16398	0.3
69.03439	1.8
69.23186	0.7
69.23586	3.1
70.06588	1.1
71.01363	0.6
71.05003	79.3
71.66430	0.4
73.02919	2.0
75.04484	4.3
79.05458	0.4
81.03420	0.7
82.34804	0.4
83.04993	6.2
85.02916	100.0
86.06075	0.8
86.09675	0.5
87.04482	2.3
95.04977	0.4
97.02899	3.6
98.06049	0.4
99.04456	2.0
101.06010	0.5
103.03933	1.4
105.07038	1.8
106.66751	0.4
109.02888	1.1
111.04448	3.7
114.30130	0.4
124.05210	3.2
127.03939	3.2
129.05496	44.6
133.06496	1.5
137.05994	2.4
144.06578	0.8
145.04979	2.3
146.08128	1.4
147.06540	22.2
162.07573	1.0
163.06061	0.6
164.08124	0.5
164.09216	5.7
165.07777	0.7
165.09117	8.0
166.54095	0.4
180.08673	1.1
189.09204	0.6
193.39633	0.4
225.07489	0.5
229.15410	0.4
231.10138	0.8
237.07657	0.5
255.08566	1.0
273.09665	0.8
287.05542	0.5
309.11365	0.6
453.13229	0.4
492.58496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3573
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03942	2.3
55.01860	1.0
55.05514	12.5
57.03441	3.1
57.07076	2.3
59.05003	1.5
61.18853	0.6
62.51471	0.6
65.03944	2.0
67.05506	56.5
69.03416	1.5
69.07065	10.3
70.59755	1.9
71.04993	2.3
71.08612	0.9
79.05492	20.6
81.07057	27.9
83.04970	1.5
83.08617	6.3
85.06552	1.7
91.05481	17.4
93.07041	25.7
95.04948	1.3
95.08609	19.5
97.06529	2.0
97.10193	1.9
105.04565	0.8
105.07030	15.0
107.08591	13.0
109.06562	1.1
109.10160	30.9
111.08081	2.3
115.05382	0.8
117.07002	5.6
119.08587	17.8
121.06498	1.1
121.10146	11.5
123.08070	1.2
123.11702	2.2
125.09634	1.3
128.06226	0.8
129.07016	2.6
131.08560	11.2
132.09241	0.8
133.10124	12.5
135.08138	0.6
135.11700	6.8
137.09633	1.9
139.11208	1.7
141.07085	1.2
143.08530	3.3
145.10127	11.0
147.11687	7.7
149.13260	3.0
151.11337	0.6
153.12845	0.8
155.08551	2.2
155.10677	2.2
157.10110	3.7
159.11699	8.3
161.13266	4.5
163.14766	0.9
169.10124	1.8
171.11691	3.2
173.11752	8.1
173.13278	5.4
175.14828	2.0
180.77016	0.7
181.10223	0.8
183.11739	2.5
185.13203	3.8
187.14847	2.6
195.11729	1.0
197.13280	1.5
199.14825	2.3
201.16396	1.0
211.14891	1.6
213.14818	1.6
213.16585	1.5
227.18056	0.9
241.19574	0.9
243.21227	1.3
259.20618	1.5
261.22156	2.5
271.20645	0.8
273.22101	0.8
275.19986	1.0
285.22162	1.6
299.23633	1.1
317.24652	0.9
361.29117	0.9
363.25427	0.8
379.30038	4.9
391.28140	0.8
397.31027	10.7
415.32013	2.4
435.32513	1.0
471.34644	9.5
489.35764	100.0
490.36066	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.6
55.01870	3.0
55.05502	5.3
56.05025	5.8
57.03427	8.2
57.91106	1.5
58.06571	2.0
60.04519	2.1
60.05646	2.3
60.97848	1.6
61.02927	3.8
67.05502	5.0
67.46956	1.5
68.05029	9.3
69.03442	16.7
69.07056	8.6
70.06596	11.8
70.57696	1.8
71.01374	1.9
71.05000	10.4
72.08160	2.6
73.02912	6.8
74.06074	3.0
79.05497	4.6
81.03421	18.8
81.07071	9.7
83.04968	3.7
84.08151	19.3
85.02913	69.1
85.08487	2.7
86.06077	16.9
86.09692	5.8
87.04449	3.4
91.05466	4.4
93.07046	5.7
95.04917	1.8
95.08586	6.3
97.02903	41.5
98.06003	2.1
99.04460	41.4
100.07626	9.1
103.03951	60.3
105.06995	5.3
107.08600	4.8
108.08923	1.8
109.02901	19.9
109.06532	2.2
109.10175	2.5
110.07152	2.4
113.09613	2.1
115.03945	4.0
119.08580	3.8
120.08102	2.8
120.08928	2.1
121.06487	4.4
121.10166	3.6
123.09164	2.1
125.09689	1.5
127.03928	100.0
129.10277	2.3
135.11713	4.4
136.07579	6.7
138.43124	1.8
145.04968	66.1
145.10085	2.9
147.11696	2.0
149.09615	1.8
163.06033	30.0
163.11154	5.0
165.09077	2.4
187.06024	4.4
205.07117	4.2
227.12762	2.4
257.63107	2.0
271.08215	9.1
289.09201	8.4
307.10263	4.2
348.47391	1.7
353.15793	2.1
387.51947	1.8
397.21570	2.2
398.54010	2.3
415.87592	2.0
488.19675	10.3
488.32367	2.3
502.25815	3.0
506.05124	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	487.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.8
55.01889	2.6
55.05511	19.8
55.11382	2.8
57.07068	11.4
59.04987	3.0
60.47429	3.2
67.05174	5.3
67.05510	48.2
69.03423	11.1
69.07066	26.2
69.25804	19.9
71.04995	16.1
77.03918	3.7
77.17342	2.7
79.05495	53.3
81.03433	3.9
81.07066	59.7
83.04961	8.7
83.08625	8.9
85.06570	3.9
87.04464	9.2
91.05489	28.9
93.07050	64.9
95.04989	8.0
95.08608	71.2
97.06528	5.5
97.10176	11.1
99.08080	6.2
101.63542	2.5
105.07030	31.7
107.04993	6.0
107.08595	100.0
109.06516	8.4
109.10157	42.5
111.08097	9.4
115.07552	6.1
117.07037	8.7
119.08605	20.9
121.06503	10.4
121.10152	49.8
123.08084	6.0
123.11728	14.7
125.09641	18.7
131.08583	26.8
133.10103	23.0
135.08041	20.3
135.11691	23.5
137.09624	10.1
143.10704	5.3
145.10112	16.7
147.11664	28.3
149.09621	12.3
149.13272	30.7
151.11174	20.1
153.09102	6.8
159.11678	10.2
161.13275	9.4
163.14824	25.3
165.12761	3.2
173.13277	32.0
177.16386	3.7
187.14789	7.0
190.82628	2.7
191.12811	2.0
191.14313	68.9
209.15369	51.9
227.16441	99.1
233.22758	3.7
243.21092	17.7
259.68832	3.4
261.22180	59.1
305.29898	3.0
469.36560	6.6
487.37543	22.9
487.48209	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	487.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13436	2.3
53.03936	5.9
53.15887	2.3
55.01860	10.1
55.05512	40.2
57.03426	10.0
57.07067	10.6
61.02929	5.6
62.78795	2.6
65.03954	2.6
67.05506	26.4
69.03147	2.9
69.03437	33.6
69.07070	34.3
69.80051	8.1
69.80460	6.2
70.06586	7.7
70.12542	2.7
71.05000	21.8
71.08634	3.8
73.02911	6.8
73.06538	3.4
79.05501	22.7
81.03413	15.0
81.07059	96.6
83.04971	4.9
83.08630	31.9
84.08145	8.4
85.02914	52.5
85.06532	8.7
87.00827	23.2
91.05479	23.6
93.06485	4.8
93.07044	71.8
95.04951	9.3
95.08613	71.7
97.02901	24.5
97.06528	8.2
97.10156	9.5
98.20860	6.1
99.04452	3.8
99.08087	22.6
105.01861	14.1
105.07028	28.6
107.08593	78.1
109.02882	9.6
109.06522	4.5
109.10168	47.2
111.08087	4.1
111.11700	6.2
113.09614	4.5
115.03935	21.4
117.07007	4.8
119.08601	26.8
121.06535	4.2
121.10143	43.6
122.09679	4.3
123.08119	4.2
123.11707	56.3
125.09621	15.3
127.03909	14.3
127.11187	10.1
129.01875	5.2
131.08569	9.0
133.06506	3.1
133.10136	24.7
135.11693	100.0
137.13274	25.5
139.11179	5.0
141.12738	5.8
142.07780	3.5
143.08507	3.3
143.10690	28.0
145.04985	4.4
145.10085	12.6
147.02835	3.7
147.11681	18.5
149.05942	2.6
149.13266	49.8
151.11182	6.1
153.12717	12.2
155.08511	2.8
157.10104	6.4
159.02858	5.9
159.11694	11.7
161.04492	3.7
161.13290	16.7
163.14809	11.8
169.10126	3.7
171.11623	4.4
173.13300	3.0
175.14833	4.1
177.12785	4.2
177.16411	5.1
185.13358	3.4
187.11168	4.8
187.14864	3.5
189.09045	5.6
201.03964	12.1
203.18001	27.0
205.19557	34.3
213.12819	2.9
215.14342	3.1
219.04953	5.4
221.19017	33.5
221.89252	2.7
223.20508	15.8
227.07085	4.0
229.31245	3.5
233.18942	3.0
241.15858	3.3
245.18863	3.2
247.04478	7.0
269.08096	4.3
311.19998	3.4
325.14252	13.9
329.21216	4.8
451.23254	5.6
469.24484	4.8
487.25244	3.8
487.31561	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	486.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38843	0.1
53.03940	0.5
55.01874	0.2
55.05512	5.8
56.05039	0.1
57.03418	0.2
57.07057	0.1
58.99601	0.7
65.03914	0.1
67.05504	2.1
68.05026	0.2
69.03430	0.8
69.05803	0.1
69.07065	0.7
70.06591	3.9
70.47899	0.2
70.48275	0.2
71.04992	0.5
72.08168	0.2
76.02226	3.0
79.05493	1.0
80.05012	0.2
81.03415	1.2
81.07056	2.6
82.06570	0.2
83.04974	0.2
83.08624	0.2
84.04507	0.9
84.08153	0.5
85.02901	0.4
85.06547	0.4
86.06051	0.5
86.09680	0.2
86.99068	0.1
91.05496	0.9
93.07042	2.0
94.06583	0.2
95.04979	0.4
95.08611	2.4
95.09174	0.2
97.02890	0.3
97.06538	0.5
98.06056	100.0
98.20866	0.1
99.04456	0.4
99.05769	0.1
99.06368	0.5
102.05508	0.2
105.07030	1.5
107.04925	0.1
107.08595	1.9
108.04476	0.4
108.08137	0.1
109.02901	0.8
109.06521	0.4
109.10165	1.7
110.06034	0.7
110.07283	0.1
111.04511	0.2
111.08087	0.2
112.07628	0.5
113.06013	0.2
114.05505	0.1
116.01675	1.1
117.07027	0.2
119.08565	0.9
120.08112	0.1
121.06484	0.7
121.10152	1.6
122.06038	0.3
123.08063	0.2
123.11713	0.1
127.03934	0.9
129.06650	0.2
129.10289	0.1
130.05023	0.5
130.06816	0.1
131.08580	0.2
133.10164	0.2
134.56723	0.1
135.08047	0.3
135.11670	0.6
136.07622	0.1
137.09610	0.3
140.05983	0.1
140.07072	2.8
140.08104	0.2
141.07297	0.1
142.03221	0.3
144.01172	0.6
145.10117	1.2
147.04453	0.1
147.08026	0.2
147.11725	0.2
149.09659	0.6
151.07568	0.1
151.14798	0.8
152.07065	0.2
161.13272	0.7
162.02203	2.1
163.11198	2.5
164.07109	0.1
167.10658	0.6
169.08623	0.7
170.02676	0.1
173.09702	0.2
179.04854	5.0
179.14313	1.5
181.12227	0.5
185.11763	0.4
187.05481	0.2
188.07074	1.1
191.10669	1.3
206.08199	0.3
209.11748	1.1
215.05031	0.1
224.09177	0.4
227.12788	2.0
233.05876	0.8
233.09502	0.2
242.10330	0.2
250.16406	0.1
269.13757	0.2
308.09052	1.0
339.17343	0.6
353.15845	0.6
354.11646	0.1
357.18362	0.2
371.16986	0.3
411.19446	0.9
450.21265	0.1
468.22180	2.0
486.23294	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	486.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01869	2.4
55.05268	1.1
55.05514	12.0
56.05031	2.0
56.96582	0.6
57.03434	3.0
57.07077	1.4
58.99588	10.8
60.04519	0.7
65.03930	1.0
67.05508	28.7
68.05032	4.2
69.03437	3.5
69.07063	5.4
70.06592	9.4
70.09595	0.8
70.31182	1.9
71.04990	2.0
72.08144	2.2
73.01154	1.2
73.02918	1.6
76.02230	50.1
76.04016	2.4
79.05499	7.9
80.05023	0.9
81.03417	1.8
81.07059	24.4
83.04978	2.0
83.06120	2.7
83.08617	2.5
84.04507	16.7
84.08146	9.0
85.01116	1.2
85.02913	2.6
85.06521	0.8
86.00658	1.1
86.06079	6.0
86.09701	2.7
86.99065	3.0
87.02686	1.0
88.02219	1.4
91.05488	6.6
93.07050	11.1
94.06570	1.0
95.04939	3.6
95.08613	35.2
97.01160	1.1
97.02895	2.0
97.06560	2.3
98.06059	100.0
98.09701	2.1
99.04475	0.8
99.05570	1.0
99.06336	0.6
100.07610	0.9
102.05573	0.8
105.07037	8.6
107.04939	1.1
107.08600	7.3
108.08135	0.7
109.02879	0.7
109.06490	3.4
109.10165	22.7
110.06030	1.2
110.07187	1.3
111.02654	0.8
111.08045	0.9
112.03954	1.5
112.07615	0.8
113.04241	1.6
113.07262	0.9
114.03790	0.8
114.05532	1.6
115.03928	1.1
116.01682	16.9
116.02499	0.9
117.07030	2.0
117.27157	0.8
119.08593	10.2
120.08118	1.4
121.06536	2.4
121.10135	5.3
122.06065	0.8
123.08049	3.2
123.11746	1.1
126.05513	0.7
127.03942	1.5
129.06715	2.5
129.10245	2.2
130.04996	5.4
130.06870	2.5
130.08606	1.2
131.08563	1.0
133.05049	0.7
133.06427	0.7
133.10135	4.1
134.09683	1.5
135.08054	1.6
135.11716	1.8
136.07607	2.3
137.09659	2.9
137.13205	0.8
139.05800	1.7
140.07069	2.8
141.07361	0.8
142.03221	4.2
144.01144	9.7
145.06119	1.5
145.10143	3.0
147.04414	0.9
147.08057	0.8
147.11716	0.8
149.09634	2.2
151.14824	13.0
157.10176	1.1
161.13254	10.5
162.02208	33.2
162.09151	0.7
163.11171	3.7
167.05391	1.1
167.10664	1.5
169.08743	0.7
170.02756	2.1
179.04861	82.0
179.14316	23.4
179.15846	1.3
181.12311	0.9
187.05287	1.4
188.07092	1.2
191.10718	2.2
192.06146	0.7
203.14307	0.8
209.11800	1.6
227.12798	2.7
233.05930	11.1
233.09584	0.9
236.14639	3.5
237.13094	4.3
245.05945	2.1
253.63399	0.8
254.15715	1.8
284.22797	0.7
290.17633	2.3
291.06473	0.9
308.09125	13.1
339.17368	12.2
357.18542	1.9
393.18631	2.0
411.19458	11.4
423.20291	0.9
455.90750	1.1
468.21823	10.3
486.22925	10.6
499.86548	0.9
503.26477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.4
55.05518	0.9
56.05036	1.5
57.03438	1.7
58.99575	1.1
60.05643	0.8
61.02913	0.5
65.03945	0.7
66.69296	0.4
67.05515	7.2
68.05041	2.9
69.03436	3.5
69.07085	2.4
69.37663	2.9
69.38070	1.2
70.02955	1.0
70.05801	0.5
70.06598	7.2
71.01344	0.8
72.08159	1.5
73.02917	1.6
74.06084	0.7
76.02222	2.0
76.04016	0.6
79.05500	1.6
81.03408	0.6
81.07061	8.8
81.07527	0.6
83.06122	2.0
84.04515	7.1
84.08153	8.7
85.01134	0.8
85.02923	2.6
85.07664	0.6
86.06082	6.5
86.09724	6.5
91.05495	2.5
93.07055	1.9
95.04984	6.4
95.08607	0.8
96.04491	1.5
96.08149	0.8
97.02905	10.6
98.06056	0.5
98.09687	1.0
99.02679	0.8
99.05621	0.7
101.04248	0.6
105.07054	4.2
107.08620	1.1
109.06515	1.0
109.10159	0.7
110.06054	1.6
110.07156	1.2
110.09685	0.6
111.04445	3.2
113.00665	0.5
113.05997	0.7
113.07152	0.6
114.05527	1.5
114.76311	0.5
115.03945	0.9
116.01706	2.7
119.08582	0.7
120.08134	1.9
121.02803	0.6
121.06534	1.2
121.10184	0.5
122.06059	0.6
123.04441	100.0
124.04867	0.5
127.03947	1.4
128.06264	0.9
129.06598	3.0
129.10258	2.9
130.05005	1.6
131.08609	0.7
132.10220	0.8
133.04933	0.7
133.10141	8.3
134.06030	0.9
135.06898	0.7
135.08031	1.2
135.11665	0.8
136.07578	2.2
137.04204	0.7
137.05959	1.7
137.09615	0.7
139.05727	1.3
143.08580	4.6
144.01178	1.7
145.06090	2.3
146.06096	1.2
146.07236	0.7
151.11194	1.9
155.08264	0.6
156.08458	5.4
157.10120	0.8
159.07957	0.6
159.09163	0.7
161.09641	20.3
162.02216	5.0
164.07202	0.6
166.03191	1.2
179.04861	1.1
179.10689	41.6
180.11142	0.7
181.03142	0.5
187.10878	0.5
199.07193	0.7
202.12242	0.7
203.10815	0.6
209.06395	1.5
236.11093	6.3
237.09468	1.9
238.51059	0.7
254.12131	17.2
264.10324	0.6
340.12186	13.5
357.14822	22.2
392.16098	0.5
409.21771	0.5
411.15891	15.1
422.19485	0.6
450.23532	0.6
455.90668	0.6
469.16345	1.0
486.18713	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	485.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.5
57.03444	7.6
57.07080	25.4
65.21766	0.7
67.05502	5.2
69.07079	4.3
69.76342	3.8
71.08249	0.9
71.08639	17.8
73.23448	0.9
73.49122	0.6
76.28188	0.6
79.05499	0.8
81.07062	7.8
83.08623	4.4
85.06539	0.8
85.10188	11.4
87.04462	0.6
89.06047	2.7
93.07059	0.7
95.08604	10.7
97.10197	3.1
98.20740	0.8
98.98475	6.9
103.07562	1.0
109.10164	4.2
121.06540	0.9
123.11724	1.3
133.08615	0.8
137.13275	0.8
155.01086	4.0
204.60332	0.7
207.28535	0.7
239.23802	2.3
255.78287	0.6
257.24780	1.8
285.45532	0.6
303.78098	0.6
313.27380	100.0
420.86560	0.6
449.26730	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.05496	9.0
57.07080	11.8
59.05013	15.4
65.03930	3.0
67.05509	24.4
69.03426	7.2
69.07071	13.6
70.06595	5.7
71.04979	4.9
71.08639	3.5
77.44333	2.4
79.05495	26.0
81.07056	31.6
83.04981	5.5
83.08617	7.8
85.10180	2.5
87.04460	7.7
88.07632	7.6
89.07898	2.7
91.05495	20.2
93.06499	3.4
93.07057	52.7
95.04951	7.5
95.08613	27.6
97.06533	4.8
98.21599	4.8
101.05994	9.8
102.09166	4.1
105.07037	40.9
107.08598	71.8
109.06531	5.6
109.10165	15.2
111.08054	4.8
117.07013	5.0
119.08583	30.5
121.10139	15.6
123.08051	9.7
123.11704	4.2
131.08569	13.3
133.06493	5.1
133.10124	16.3
135.11670	10.4
139.11226	3.1
143.08562	4.6
145.10144	9.0
147.08035	6.4
147.11699	14.8
149.09599	5.2
149.13248	9.3
151.09972	5.2
151.11189	100.0
155.08446	2.5
156.09271	3.2
159.11707	9.2
161.09586	7.2
161.13249	44.1
163.14824	5.2
171.11699	8.8
173.13203	6.3
177.12802	7.1
177.16451	2.7
187.14760	2.9
189.12752	60.2
200.20036	6.1
207.13808	91.3
225.14851	58.1
228.23215	6.3
229.23535	8.1
243.21053	9.7
261.22116	32.9
277.21649	9.1
283.26199	3.3
284.26553	9.1
311.29404	3.0
312.29797	8.5
449.34238	4.0
485.37027	11.7
485.47668	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02664	2.1
53.03939	5.9
53.91264	2.0
55.01874	5.6
55.05514	11.9
57.03430	5.3
57.07058	2.5
58.17273	2.1
59.05001	3.7
61.02905	3.7
65.03935	3.6
65.91203	1.9
67.05506	22.0
68.05030	4.9
68.99778	2.0
69.03432	15.6
69.07066	12.7
69.30735	4.6
69.31133	14.1
70.06596	11.0
70.70964	1.7
71.01316	2.3
71.04993	14.7
71.08173	1.9
73.02905	6.0
73.06530	2.3
73.83408	1.9
79.05499	17.7
81.03413	7.2
81.07059	100.0
83.04998	4.7
83.08611	4.0
84.04475	2.0
84.08128	6.8
85.02905	25.4
85.06539	4.4
85.07711	1.8
86.06059	7.2
87.00832	11.6
87.04496	3.5
91.05480	27.0
93.07052	33.9
95.04968	8.0
95.08616	38.0
96.74609	2.0
97.02897	12.7
97.06530	6.4
97.10161	5.5
99.04463	4.1
99.08072	3.2
103.05487	4.5
105.01876	7.3
105.07039	78.8
107.04971	3.1
107.08592	37.1
108.08119	2.8
109.02898	4.0
109.06548	2.2
109.10156	31.3
111.08105	4.0
115.03953	11.4
117.06992	5.7
119.08586	43.8
120.08080	3.0
121.06510	4.4
121.10139	28.2
122.09680	2.7
123.07995	2.3
123.11711	25.5
125.09625	37.0
127.03951	10.6
127.07598	4.8
127.11202	6.5
129.06937	3.1
131.08571	10.8
133.06502	2.9
133.10139	60.7
135.08014	3.2
135.11690	13.4
136.07576	2.1
137.09613	6.2
137.13251	5.3
139.11200	3.7
141.06885	2.2
142.07791	2.6
143.08470	5.2
143.10663	25.4
145.05000	4.0
145.10143	18.0
147.11699	65.3
149.09668	4.4
149.13237	6.8
150.09128	4.4
151.11130	2.4
157.10094	8.8
159.02916	4.2
159.11673	19.9
161.13263	16.9
163.11205	2.2
163.14935	2.4
167.10686	6.8
169.10194	3.5
171.08214	2.7
171.11676	5.1
173.13300	3.1
175.11288	1.8
175.14847	3.7
183.11723	2.3
185.13214	2.1
191.17886	2.1
201.04019	4.5
201.16435	18.7
203.17946	21.3
219.05022	2.1
219.17438	32.4
221.19049	6.6
231.17433	2.3
233.11795	3.3
237.18643	2.3
251.12643	2.4
305.24661	5.3
307.11679	2.3
400.82199	2.1
485.22925	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	484.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.0
57.07079	27.5
59.05011	1.3
67.05505	1.4
69.07076	2.0
70.06542	6.4
71.08637	25.6
73.06564	7.3
75.74187	1.0
81.07073	1.2
83.08621	5.5
85.09673	1.4
85.10184	27.0
87.04463	4.5
89.06033	100.0
91.82832	1.3
95.08609	1.7
97.10135	1.6
98.20818	1.3
99.11715	2.2
109.11229	1.3
117.09132	5.6
123.42852	1.1
130.08640	3.0
133.08609	51.6
141.16420	3.7
175.09610	1.9
177.11246	22.9
185.18980	6.6
210.88028	1.3
221.13898	4.6
226.21674	1.8
229.21642	13.1
239.14819	2.8
273.24271	9.5
278.07697	1.2
283.17645	2.9
293.99399	1.4
327.20184	12.6
332.93878	1.2
423.33344	1.6
467.35840	28.1
484.38260	2.1
484.47125	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01868	1.5
55.05516	3.3
56.05038	0.9
57.03443	4.6
59.05008	1.1
61.02942	0.8
65.57908	0.5
66.41628	0.5
67.05495	2.4
68.05028	2.8
69.03437	24.9
69.07073	15.0
70.06610	3.5
71.01342	0.7
71.04981	2.1
71.07950	1.1
72.08160	0.7
73.02910	1.9
79.05491	3.5
81.03429	2.9
81.07069	6.5
83.04983	4.2
83.08623	1.1
83.93462	0.5
84.08142	3.7
85.02909	15.2
85.06540	1.5
86.06077	4.1
86.09715	0.7
87.04498	3.2
91.05491	6.1
93.07056	4.6
95.04971	1.1
95.08614	6.8
97.02897	17.5
97.06507	1.7
98.09684	1.1
99.04469	1.4
103.05442	0.7
105.07027	6.7
107.04967	1.4
107.08604	12.0
109.02866	2.3
109.06541	3.5
109.10149	1.5
110.07201	0.9
111.04412	0.7
111.08071	5.6
115.03935	8.1
116.06195	0.7
117.07022	1.3
119.08606	6.8
121.06508	3.5
121.10155	8.9
123.08073	5.8
127.03933	5.4
127.08836	0.5
128.06296	0.6
129.07031	1.0
129.10245	1.3
131.08586	13.7
133.04985	3.0
133.10138	10.7
135.08064	19.6
135.11693	3.0
136.07579	1.4
137.09578	1.2
143.08536	4.3
144.09346	1.0
145.04964	2.1
145.10121	5.2
147.07982	0.7
147.11649	3.9
149.09633	7.4
149.13261	3.0
150.10393	0.8
158.10938	7.0
159.11707	1.3
161.09634	0.9
163.14841	2.6
171.11711	1.4
173.13280	34.8
175.14772	1.6
176.12125	0.6
185.09694	0.6
185.13264	1.1
187.14784	0.6
189.12677	2.7
191.14320	100.0
209.10411	0.7
209.15376	2.3
213.12801	0.6
215.14319	1.1
239.20824	0.6
241.07152	0.6
257.15244	0.9
269.15561	0.8
287.16489	1.3
305.14273	0.9
305.17490	10.4
305.21024	0.6
320.80878	0.6
323.18405	1.4
382.51996	0.8
463.90424	0.6
467.23166	0.7
485.17908	0.8
485.24069	11.1
502.65396	0.7
502.85257	0.6
503.05603	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03426	1.2
53.65562	1.4
55.05509	7.3
55.38920	1.3
57.07064	3.1
63.83803	1.2
67.05496	6.0
69.07080	11.8
69.56173	5.7
69.56579	3.3
79.05499	5.5
81.07058	25.7
83.08614	6.7
89.06043	5.0
90.06366	1.8
91.05482	2.3
93.07050	13.9
95.08608	49.2
97.10184	4.5
98.21490	2.9
105.00279	1.3
105.07048	6.4
107.08602	33.7
109.10162	21.6
110.65837	1.3
119.08598	7.4
121.10149	28.4
123.08119	2.8
123.11713	7.1
123.28583	1.3
125.09668	1.4
131.08548	1.6
133.08638	2.0
133.10129	6.7
135.08061	3.2
135.11694	25.2
135.12601	2.3
137.13266	3.8
145.10158	2.2
147.11728	3.8
149.09616	7.5
149.12155	1.3
149.13239	6.7
159.11726	3.0
161.13313	3.4
163.14749	1.5
171.11757	3.2
173.13300	3.2
175.14874	4.1
177.12723	1.6
177.16371	2.6
185.13332	1.7
189.16423	4.8
191.17957	82.0
227.17992	1.6
229.19617	2.4
233.19058	2.8
263.13504	1.6
267.21066	1.7
269.22668	3.2
283.17523	1.8
284.17899	1.9
287.23782	4.3
308.07660	1.7
405.35303	3.0
408.76245	1.5
423.36356	4.0
445.53271	1.5
465.37271	2.3
483.38400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01316	0.5
53.03906	0.6
55.01845	0.9
55.05473	2.3
56.04999	0.9
57.03407	1.5
58.06583	0.8
61.02895	1.0
67.05513	3.7
68.05013	1.1
69.03394	1.7
69.07055	1.3
70.00101	2.1
70.06596	12.3
70.21113	0.6
72.08127	1.4
76.37541	0.5
79.05461	1.7
80.05016	0.7
81.03386	1.2
81.07058	2.9
81.82246	0.6
82.06582	0.7
82.07391	0.6
83.08593	0.9
84.04465	1.7
84.08147	5.1
85.02915	3.0
86.06028	2.2
86.09724	3.2
88.28851	0.6
89.03924	6.2
91.05502	3.6
93.07006	2.6
94.06525	0.7
95.04965	1.3
95.08562	1.6
96.04478	1.1
96.08119	1.1
97.02859	1.7
98.09701	64.1
103.05429	1.7
105.06987	2.5
107.04919	0.6
107.08597	1.3
108.08110	1.3
109.02868	0.7
109.06526	0.8
109.10124	1.5
110.06013	0.8
110.07157	1.2
113.07098	0.7
114.05502	2.6
117.03391	24.2
119.04906	1.2
119.08504	1.1
120.08076	1.8
121.06521	5.8
121.10126	1.1
122.09648	0.8
123.04458	0.7
129.10228	1.9
130.04962	1.0
131.08534	1.3
133.06502	0.9
133.10170	0.7
134.03635	1.4
134.05960	1.2
135.04430	1.4
136.07533	1.9
137.05968	1.0
138.09108	0.8
140.14348	18.8
143.08504	0.7
145.02856	63.8
145.10040	0.9
146.05978	0.7
147.04364	1.8
149.05978	8.7
149.09718	0.6
150.09161	2.7
151.07521	1.3
157.09944	0.8
158.06029	0.6
158.09602	0.7
158.15416	14.6
162.09117	0.7
163.03917	1.0
166.08644	1.1
174.09091	0.6
175.03810	0.5
175.11217	0.7
177.05484	100.0
178.05838	0.6
178.08521	0.6
186.05542	2.2
204.06587	0.8
208.13321	4.4
209.13652	5.0
212.14285	0.7
226.14536	0.8
227.14812	1.0
259.14087	0.6
276.07397	0.6
295.64368	0.5
299.10229	0.7
309.11282	0.5
315.19754	1.0
327.12262	6.0
333.14932	0.6
333.19424	1.9
371.19351	0.7
452.28091	0.7
484.27176	74.2
485.27328	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.2
55.05273	1.5
55.05518	21.0
57.03443	7.9
57.07076	10.0
67.05505	3.1
69.07071	24.6
69.86942	0.9
70.96515	1.8
71.08631	5.1
79.05493	1.8
81.07060	4.2
83.08621	18.5
85.10175	2.0
93.07056	3.7
95.08603	3.4
97.06525	2.3
97.10177	15.0
98.98466	9.5
107.08594	3.5
111.08098	0.8
111.11729	3.6
121.10153	2.5
122.14232	0.8
135.11708	1.6
137.13216	0.8
142.98892	0.8
155.01047	6.3
217.77309	0.9
219.20938	1.0
228.20435	1.7
237.22066	1.3
289.22821	1.0
311.25815	100.0
329.00793	1.0
447.25095	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17057	0.9
55.01862	0.8
55.05511	17.0
57.03436	6.6
57.07079	8.9
67.05495	3.4
69.07071	21.5
70.90675	1.6
70.91009	1.2
71.08640	5.5
76.78523	0.8
78.42394	0.8
79.05514	1.9
81.07055	4.3
83.08619	16.0
85.10175	2.2
91.05479	0.8
93.07034	2.6
95.08599	3.3
97.06538	3.0
97.10158	11.2
98.98481	6.9
104.10741	1.6
105.06982	0.8
107.08582	3.1
109.10179	1.2
111.08104	1.0
111.11705	2.9
121.10155	3.1
135.11685	1.6
155.01035	2.6
173.02217	1.1
184.07152	0.8
219.21024	0.9
311.25806	100.0
447.24969	3.1
452.37537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30568	1.4
53.03940	6.1
55.01869	6.8
55.05508	13.1
55.48509	1.5
56.05041	3.2
57.03434	6.0
57.07071	6.3
59.04994	4.8
59.73931	1.4
61.02934	8.0
63.97002	1.4
65.03944	3.5
67.01851	1.4
67.05511	35.2
68.05035	7.4
68.99804	8.7
69.03436	20.9
69.07076	27.9
70.06322	1.4
70.06609	15.1
71.01347	2.7
71.05000	31.3
71.05628	3.2
72.08158	2.2
73.02914	5.2
73.06546	4.5
77.03977	1.8
79.05501	25.3
81.03422	24.9
81.07066	52.1
83.04971	5.7
83.08620	9.3
84.04523	2.7
84.08161	15.1
85.02911	22.8
85.06555	2.9
86.06082	10.8
86.09718	5.8
87.00834	4.5
89.06029	4.4
91.05495	25.0
93.06485	3.1
93.07054	55.5
95.04975	29.2
95.08620	26.9
97.02921	11.8
97.06559	7.8
97.10189	4.2
98.09698	7.8
99.04453	7.4
99.08109	2.4
99.10012	2.4
103.05497	2.2
105.01870	3.2
105.04475	1.7
105.06331	1.8
105.07036	36.5
107.04964	2.5
107.08607	100.0
109.02892	13.2
109.06559	8.2
109.10166	52.2
110.06061	2.3
110.07185	2.1
111.08092	37.7
111.11711	1.6
114.05526	15.3
115.03946	2.1
115.05888	4.3
117.07043	5.0
119.08594	42.4
120.08099	6.4
121.06516	5.2
121.10155	30.2
123.08062	5.2
123.11712	10.0
125.09647	41.0
127.03942	25.5
127.11213	3.1
129.01839	7.9
129.07014	2.3
129.10252	4.1
130.06546	1.9
130.07796	1.5
131.08580	18.5
133.05031	2.7
133.10132	21.4
135.08064	4.5
135.11710	55.9
136.07593	4.4
137.05986	3.4
137.09595	5.6
140.14401	3.3
142.07828	4.0
143.08560	5.8
145.06448	1.8
145.10139	31.0
147.02921	3.4
147.04434	2.0
147.08075	8.5
147.11702	75.2
149.02336	1.5
149.09624	5.4
149.13278	6.7
151.11203	2.6
153.12767	42.5
157.10167	9.4
158.15355	3.7
159.11736	11.4
161.05902	2.1
161.09642	7.0
161.13278	4.9
163.11238	5.4
165.12781	7.4
166.08617	1.9
169.10092	2.0
171.11731	3.0
173.09612	2.2
173.13271	6.4
175.11203	9.1
175.14839	10.9
179.10687	2.4
187.11029	1.9
187.14859	1.7
189.16400	29.7
191.17903	3.4
193.04900	2.0
193.15924	7.0
199.14771	7.6
207.17491	6.1
208.13342	7.2
211.11255	1.6
213.03949	3.4
213.16220	1.8
217.15894	36.0
226.14409	1.6
228.27040	1.6
235.16919	30.1
240.30409	1.6
249.04230	1.9
253.18001	17.1
274.57462	1.8
277.18015	3.7
303.23318	3.6
325.18057	2.8
379.21405	2.0
395.13812	1.7
451.20123	2.6
456.91214	1.5
465.21033	5.7
483.15851	2.6
483.22217	37.0
484.26938	2.3
496.86584	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
54.75289	0.8
55.01860	2.9
56.05037	5.8
56.96565	1.1
57.03431	4.6
58.06588	1.6
59.04979	1.1
59.06102	1.0
60.04517	2.3
61.02922	2.8
61.03265	0.7
61.07117	0.7
61.15679	0.8
61.63003	0.8
67.05509	1.0
68.05039	7.7
69.03442	6.3
69.47951	6.5
70.02953	5.4
70.06600	11.1
71.01373	1.0
72.08134	2.1
73.02925	4.1
74.06086	4.4
80.04996	1.1
80.29626	0.8
81.03429	2.2
83.06123	4.4
84.04511	94.5
84.08148	16.2
85.02905	8.3
85.07667	1.8
85.08454	1.0
86.06071	15.8
86.09692	3.1
87.04469	1.6
87.05598	12.2
91.05486	27.8
95.06084	1.0
96.04498	5.8
97.02904	6.8
98.03230	1.0
98.06047	4.0
98.07161	1.1
98.09672	1.0
98.21578	0.9
98.97567	2.8
99.04496	0.9
101.07139	3.7
102.05537	0.9
103.05464	6.6
104.04983	1.2
107.04950	3.9
109.02901	1.9
109.10103	0.8
110.06015	1.0
110.07193	6.2
112.08760	1.0
113.07147	2.8
114.05521	2.5
114.06722	1.1
115.03926	3.3
118.06552	0.9
118.86541	0.9
119.04918	3.0
120.08115	33.7
121.08455	3.3
123.83936	0.8
125.07124	3.0
126.05524	100.0
127.03902	1.9
128.98596	1.3
129.07004	1.7
129.10225	3.0
130.06535	3.5
131.04930	5.7
133.04971	3.0
135.05533	1.6
136.07632	6.0
138.05528	17.0
138.06606	2.4
144.06567	4.2
144.08069	1.9
145.06404	1.2
147.04425	6.6
147.09151	2.4
148.04768	1.1
149.05992	1.8
154.01697	1.0
154.06453	1.6
155.08148	1.1
156.07719	1.0
157.06503	4.9
166.08653	14.5
167.09114	1.4
168.06599	4.3
170.09300	1.0
172.07530	7.8
174.09135	1.1
175.08679	24.0
177.06674	1.0
177.10233	1.4
182.06087	7.2
184.10751	0.9
186.07664	5.0
186.09053	1.3
187.10732	1.1
189.10254	1.3
190.02031	1.0
200.07074	40.7
201.00719	0.9
203.08304	1.9
203.10239	1.8
204.08694	23.9
209.10342	1.3
217.09665	2.5
219.01796	3.2
221.09213	13.4
221.11234	1.2
223.10809	2.8
223.15601	1.4
224.11089	3.6
228.06543	1.9
234.12465	5.3
237.02835	3.9
245.09187	6.2
246.07635	20.7
249.12517	1.2
262.11841	8.5
263.10297	39.5
280.12918	57.1
316.07047	1.5
321.14691	0.9
353.09204	1.0
363.16617	1.0
414.21878	1.1
422.14438	1.9
450.23798	1.1
483.13818	2.3
483.19666	7.7
483.25781	1.7
499.86292	1.7
500.06516	5.0
500.26282	1.6
500.86218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.4
57.07077	67.0
69.07079	9.4
70.96867	2.2
71.08632	63.5
73.06544	3.5
83.08604	3.3
85.10181	39.2
87.04453	2.5
89.06031	100.0
97.10185	3.5
98.09665	1.3
99.11742	5.9
99.70347	0.9
101.76244	1.0
107.07072	1.7
111.11705	4.4
113.13288	7.2
117.09151	2.3
125.13268	1.6
127.14840	4.6
130.08656	2.5
133.08604	65.9
177.09688	1.7
177.11218	29.1
186.71945	1.0
195.12291	3.2
207.34256	1.1
221.13850	4.1
239.14888	3.3
271.26392	5.5
283.17517	44.5
315.28922	4.3
377.32541	1.8
421.35236	1.9
465.37894	48.4
482.37125	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	483.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56406	1.4
55.05495	2.3
57.07066	1.6
63.26240	1.6
64.68137	1.7
67.05499	4.5
69.03420	2.0
69.07059	2.4
70.06590	4.0
71.52051	1.6
79.05470	3.1
81.07049	4.1
84.08140	2.7
85.02902	2.5
86.60347	1.6
91.05471	5.6
93.07023	6.1
94.06557	2.0
95.04959	2.5
95.08615	4.8
97.06462	1.5
105.07028	5.7
106.06636	1.7
107.08611	2.5
109.06504	4.9
117.07030	3.4
119.08559	4.5
120.08094	4.4
121.02870	2.4
121.06471	3.8
121.10144	2.3
122.09673	3.7
123.08041	5.0
129.06970	3.5
130.06514	3.2
131.07314	4.3
131.08601	2.9
132.08121	3.7
133.06535	1.7
133.10097	2.7
134.06020	1.6
137.05997	2.0
143.07291	3.3
144.07021	2.7
144.08101	33.7
145.07654	4.2
145.08826	3.6
147.08026	4.3
148.03889	2.2
149.02277	1.8
151.07512	5.5
152.14305	3.5
157.10094	2.1
158.09647	16.2
159.09158	3.6
159.10431	28.9
160.11266	7.8
165.08960	1.9
172.07611	2.9
176.10724	2.8
186.09180	2.9
200.07025	2.3
201.10364	2.7
212.07193	2.0
215.11697	1.9
221.15297	2.4
222.11612	1.6
228.06541	4.4
240.06528	3.6
244.09676	3.7
247.12384	2.0
249.10240	1.8
250.11063	3.9
261.10117	3.1
262.11057	5.1
263.11682	2.4
263.15427	2.8
264.05054	1.7
265.13162	2.1
273.94305	1.6
274.10971	1.5
275.11798	4.1
276.12537	3.4
277.09738	4.1
278.10507	6.9
279.11401	2.4
279.14801	3.7
289.10013	2.7
289.13135	3.3
291.11661	2.6
291.14893	6.2
292.12289	1.7
293.12845	5.1
302.10458	1.8
304.11804	2.7
305.09225	3.3
305.12561	1.7
306.10080	4.4
307.11142	2.9
307.14319	15.0
317.09265	3.4
317.12854	6.2
318.10117	4.6
319.10947	1.8
319.14261	7.4
320.11365	3.5
321.12338	1.8
322.53226	1.6
331.10901	2.2
334.09451	2.4
335.13843	16.6
345.12299	5.5
346.13196	2.3
347.13943	8.1
351.17169	1.7
363.13367	10.8
367.16718	4.2
373.11850	2.5
375.13293	5.5
391.12857	17.0
395.15952	12.0
405.14407	4.1
419.12326	30.9
423.15524	100.0
424.15448	2.2
451.14972	81.8
455.18060	13.1
483.17709	18.5
483.27951	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	482.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56399	0.5
54.13637	0.6
55.01864	0.8
55.05513	1.4
56.05041	3.0
57.03439	1.3
57.99130	0.6
58.06612	0.7
60.04523	0.9
61.02920	0.8
67.05512	5.3
68.05027	2.2
69.03427	2.0
69.07068	1.6
70.06597	17.4
71.04997	1.9
72.08163	4.7
72.38774	0.5
73.02918	2.1
74.06083	1.8
78.64235	0.5
79.05489	1.8
81.03426	2.0
81.07041	1.1
82.06594	0.6
84.04542	1.4
84.08154	35.6
85.02912	5.1
86.06081	3.4
86.09712	8.3
87.05600	0.9
87.10041	1.2
89.03936	1.9
91.05492	3.8
92.32444	0.6
93.07072	1.2
94.06544	0.5
95.04939	1.0
96.08163	1.3
96.40445	0.7
97.02906	2.4
97.08920	0.6
98.09702	70.1
98.21616	1.3
99.04451	0.9
103.05473	1.0
104.05310	0.5
105.07031	1.4
107.04974	4.8
109.02916	1.1
109.10168	1.2
110.07153	2.8
111.10433	1.3
112.07622	0.8
112.08759	0.8
112.11245	1.2
114.09177	0.7
117.03396	4.7
119.04968	3.8
120.08096	3.1
121.08467	0.9
125.09570	0.6
126.12806	15.7
127.03928	1.0
127.08704	0.7
129.10303	3.3
130.08641	0.9
131.04968	1.3
133.04973	1.1
135.04436	6.5
136.07620	3.0
137.06004	7.5
138.12802	0.8
140.14355	21.2
144.13844	33.2
145.02866	12.8
145.04002	0.8
147.04419	9.8
149.05997	1.2
151.03932	1.0
151.07542	3.7
153.09189	0.6
154.12257	2.8
155.08217	0.7
156.13860	4.1
157.10110	0.7
158.15421	27.1
161.06012	8.4
161.09590	1.8
163.03922	48.0
163.07520	3.6
174.14902	2.1
175.07553	1.0
177.05495	7.8
179.07104	0.9
181.08615	1.3
189.09097	4.5
193.03191	0.9
195.08003	0.8
201.17712	0.6
207.10098	7.5
224.37221	0.7
227.10588	0.8
228.14157	0.8
229.37016	0.7
253.12408	0.8
287.12817	3.4
310.08307	0.7
311.12793	1.7
313.14444	2.8
320.18701	2.1
325.09827	0.6
329.71280	0.6
331.15457	3.7
336.17957	6.1
408.72388	1.1
464.22617	0.9
482.23874	100.0
483.23993	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01881	1.3
55.05492	2.1
56.05014	1.4
56.96564	1.3
57.03409	0.7
67.05503	3.1
68.05037	3.2
69.03431	4.8
69.07057	2.2
70.06599	13.0
71.04993	5.7
71.52008	1.2
72.08154	4.8
73.02872	1.0
74.06086	1.0
79.05479	2.5
80.05013	3.8
81.03391	2.1
81.07056	4.1
82.06566	1.1
83.04963	1.1
84.04504	3.9
84.08155	8.0
85.02905	2.7
85.03375	0.6
86.06053	2.9
86.09707	7.9
90.24152	0.8
91.05470	2.9
93.07034	3.5
94.06568	4.9
95.05012	1.2
95.08593	2.3
96.04498	5.9
96.08098	0.6
97.02922	3.4
97.06529	1.4
98.06071	5.4
98.09696	8.0
99.04449	1.7
99.10059	0.8
103.05466	0.9
105.07026	4.5
106.06568	1.2
107.04945	1.4
107.07317	1.3
107.08582	2.4
108.04486	80.9
108.08132	5.7
109.02953	0.7
109.06525	1.0
109.10123	1.4
110.06039	1.7
110.07167	1.9
110.09702	1.3
111.04443	1.2
111.08062	0.9
112.08743	0.7
114.05539	79.4
115.08727	0.7
116.04973	1.2
117.06990	0.8
118.06525	2.0
119.08591	1.6
120.08105	4.8
121.06500	2.6
121.10154	2.3
122.06046	8.0
122.09670	7.3
123.08083	0.8
123.11716	0.7
125.07116	0.7
126.05515	1.3
127.03857	1.2
127.06027	0.7
129.10280	3.7
131.08597	1.2
133.06429	0.7
133.10143	1.7
134.06055	0.9
135.04417	1.0
136.06244	0.7
136.07582	1.3
137.06010	0.8
140.07076	12.8
140.14330	2.4
143.08626	0.9
144.04448	3.6
145.02879	0.7
145.10033	0.7
146.06018	55.6
147.06779	1.1
147.11607	0.7
148.07564	2.5
150.05522	11.4
150.09145	1.9
151.07529	0.8
155.92186	0.7
156.06497	0.7
158.15370	1.5
161.09612	2.7
162.05530	2.1
163.03934	0.6
163.11185	1.2
168.06577	90.7
172.02539	1.3
172.03947	18.7
173.04709	2.8
174.05534	19.1
174.09081	0.9
177.05544	1.2
178.05869	0.9
178.08636	2.6
190.05006	2.1
191.05727	2.7
191.10570	0.7
192.06590	2.1
204.06570	37.1
205.07265	0.7
206.08141	92.8
224.10651	0.6
227.12839	0.8
241.07436	1.4
242.07808	0.9
250.08694	0.9
253.09671	1.2
259.08698	0.8
267.11377	0.9
281.12845	1.6
285.17117	1.0
287.05487	4.0
288.05817	2.8
295.10803	1.3
296.09146	0.9
298.10809	3.2
313.11887	6.1
313.15195	1.3
320.67670	0.7
341.07492	1.3
341.11340	11.3
355.12549	0.7
359.12350	3.9
373.13968	100.0
374.14285	0.8
396.09558	0.8
396.26144	0.7
450.20200	3.1
456.71292	0.9
482.16138	1.7
482.20828	3.5
482.26758	1.0
500.06305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	0.6
55.01812	1.0
55.05439	17.6
55.05738	2.8
56.04979	1.3
56.05227	0.8
57.03387	1.3
58.99533	0.9
60.04498	0.7
61.01071	2.6
67.05426	1.8
68.04948	0.7
69.03371	0.9
69.06973	0.7
69.89443	0.7
70.06512	8.7
70.06926	0.9
70.09306	2.4
71.04939	1.0
72.04431	4.5
72.08072	2.4
73.02856	1.5
74.00603	1.1
74.05989	0.6
76.02147	2.3
78.03707	7.9
81.07011	0.9
82.06529	1.2
83.04895	50.6
84.04418	1.9
84.08054	18.3
85.02905	2.8
85.06476	0.6
86.05976	3.4
86.09618	5.0
87.02651	0.7
88.02152	1.5
89.03824	1.5
91.05411	1.0
96.08098	0.6
98.05988	0.9
98.09705	27.0
98.10279	1.8
99.05518	0.8
102.03777	14.6
109.10088	0.6
110.07069	1.8
112.07552	1.0
113.05934	0.9
113.07062	0.7
114.03748	3.4
114.05404	0.7
114.09063	1.5
115.03838	0.5
117.03379	5.0
118.03199	1.1
119.04914	1.0
120.01088	1.2
120.04697	1.7
120.08018	1.7
124.07535	1.3
126.12823	5.8
129.10268	2.9
130.03125	0.7
130.08612	1.1
131.06401	9.1
132.04805	8.0
135.04321	1.9
136.07462	1.7
138.06554	0.6
140.14354	8.1
140.50423	0.6
142.06905	2.7
142.08643	3.1
144.04678	1.8
144.13853	2.6
145.02858	16.7
147.04311	2.3
147.05762	2.0
149.07454	32.6
154.08659	6.3
154.12170	1.5
156.13713	0.6
158.06226	2.0
158.15396	3.1
159.05864	1.1
163.02609	0.6
163.03934	11.2
170.06348	0.8
177.05487	27.7
184.09630	1.4
186.05750	1.8
196.17853	0.6
198.18152	0.5
204.06810	2.3
231.11597	2.9
258.07925	0.8
261.12717	2.8
263.08807	0.9
274.22433	0.8
281.09818	1.0
289.10324	2.3
320.18527	1.9
335.10941	7.0
336.18201	1.1
352.13632	100.0
353.13904	1.7
464.18906	20.2
464.25150	1.1
482.24033	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	1.5
55.05458	23.5
55.05753	2.1
56.04980	2.3
57.03392	1.5
58.99548	1.1
60.04477	1.5
60.05618	0.6
61.01094	5.3
67.05444	3.1
68.04974	2.1
69.03367	1.7
69.07023	1.5
70.02924	1.2
70.06532	22.5
70.44052	2.1
70.44414	0.9
71.04942	1.9
72.04518	6.0
72.08160	8.7
73.02855	2.3
74.00625	1.0
74.06017	2.3
74.06390	0.7
76.02238	3.7
78.03794	11.0
79.05455	1.5
81.03365	1.1
81.07034	1.0
82.06517	2.1
83.04990	59.7
84.04524	5.1
84.08154	16.6
85.02909	3.9
85.08419	0.9
85.54408	0.6
86.06084	5.0
86.09712	12.5
87.10021	1.0
88.02143	2.9
88.03996	4.7
89.03883	1.3
91.05428	2.4
94.19617	0.6
95.04932	1.5
95.06067	0.9
96.04440	0.6
96.08093	1.1
97.02819	1.9
98.02361	0.9
98.05994	1.1
98.09701	60.7
99.05533	0.8
101.07095	0.8
102.03777	21.3
102.05506	1.2
103.02138	0.8
104.01647	0.9
105.06988	0.7
107.04895	1.6
109.10093	1.4
110.07151	3.5
110.09608	1.0
112.07576	1.4
112.08691	1.0
113.04176	0.7
113.07095	0.8
114.03755	4.9
114.09129	1.6
115.08665	1.4
117.03309	2.1
119.04867	2.4
120.04723	3.0
120.08127	3.4
121.02847	0.8
121.08372	0.8
124.07523	1.7
124.11144	0.7
126.12825	0.8
127.03831	0.9
129.10260	4.4
130.03197	0.9
130.04977	0.7
131.05499	0.8
131.06387	11.1
132.03929	0.7
132.04790	11.1
133.04962	1.4
133.06071	2.1
134.05919	0.8
135.04414	4.5
136.07549	2.2
137.08130	0.8
140.14351	19.5
141.10216	0.8
142.06871	5.0
142.08629	3.6
142.09889	0.6
143.05225	0.9
143.06293	1.5
144.04698	0.8
145.02870	3.2
147.04347	7.2
147.05789	2.2
148.04791	0.7
148.05916	0.9
149.07455	40.3
154.07581	0.7
154.08635	7.7
156.13794	0.9
158.06239	1.1
158.15424	7.7
159.05830	1.4
163.03917	28.2
174.09067	0.7
174.14790	0.9
182.98763	0.6
184.09692	1.7
186.05777	2.4
187.10913	0.7
192.05032	0.8
201.12312	0.9
204.06883	2.6
212.07507	0.7
216.06883	1.3
231.11690	3.2
244.09160	0.8
258.07974	1.4
261.12720	4.1
263.08759	1.3
269.90683	0.8
273.84497	0.7
289.10428	2.9
291.18442	0.7
304.11646	1.0
320.18640	2.0
322.07816	1.7
335.10956	7.2
336.18060	2.0
350.07401	0.8
352.13620	100.0
353.13928	2.0
362.07300	1.1
404.08392	0.8
464.11710	0.7
464.18924	21.4
481.77380	0.9
482.11798	4.6
482.23981	46.5
483.24033	0.9
500.06400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47570	1.4
55.05518	7.7
57.07082	3.5
67.05500	9.9
69.03426	1.8
69.07069	12.8
71.12004	2.2
73.87115	1.2
79.05489	9.4
81.07059	21.0
83.04985	3.3
83.08629	7.4
91.05480	10.2
93.07047	26.4
94.78040	1.3
95.04963	1.8
95.08606	36.3
97.10168	4.8
105.07044	17.1
107.08606	29.7
107.86403	1.5
109.06493	2.3
109.10169	24.1
117.07009	2.9
119.08604	24.3
121.06490	3.2
121.10152	37.5
123.08098	3.2
123.11742	9.8
124.41050	1.3
131.08580	6.1
132.18375	1.3
133.10156	19.7
135.08083	4.1
135.11697	29.0
137.09647	4.7
137.13281	4.5
139.11194	3.8
143.08614	3.1
144.09491	1.3
145.10136	9.5
147.08087	3.4
147.11690	13.8
149.09628	35.7
149.10765	2.4
149.13251	9.1
151.11221	2.9
152.76869	1.2
157.10162	4.7
159.11717	10.4
161.09666	5.7
161.13301	8.6
163.11169	9.1
163.14822	6.0
165.12762	15.3
171.11673	3.8
173.13258	7.3
175.11218	4.3
175.14835	12.0
177.12703	2.5
177.16400	2.6
185.13283	2.8
187.14882	5.4
189.12791	4.1
189.16400	9.2
191.14317	8.3
191.17963	57.6
193.16023	1.4
199.14857	3.1
201.16443	4.0
203.14386	1.4
203.18018	4.2
213.16423	3.1
215.17961	3.9
217.15912	6.5
217.19540	3.2
227.17938	3.6
229.19574	4.9
231.17494	3.9
231.21024	7.8
257.22610	15.7
269.22653	12.8
271.24152	7.4
297.71844	1.6
379.29855	2.7
403.33578	2.1
421.34686	100.0
422.35245	1.6
481.36734	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	481.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54606	0.3
67.05510	0.6
69.07089	0.4
69.42032	1.1
69.42467	0.9
70.06609	1.4
72.08170	0.4
81.07096	0.4
81.93655	0.2
84.08148	1.0
85.02907	0.4
86.09711	0.8
89.03909	0.4
91.05509	0.4
93.07059	0.4
97.06551	0.4
98.09695	6.2
98.21494	0.5
99.10018	1.5
105.07018	0.5
110.07129	0.4
117.03425	1.3
118.03766	0.5
120.08086	0.4
127.03722	0.8
137.06013	0.6
140.14354	1.8
141.14705	0.8
142.97252	0.3
145.02847	4.8
146.03166	2.3
149.06036	0.6
158.15430	2.0
159.15729	1.0
169.04813	0.5
171.02646	0.3
173.04312	0.4
177.05475	7.8
178.05827	4.8
186.06573	0.5
215.05289	0.8
217.16820	0.3
229.06992	0.4
244.30305	0.3
251.40750	0.3
259.05658	0.5
263.63132	0.3
291.08344	0.4
301.11902	1.7
317.08411	3.0
319.12997	1.0
334.20270	0.4
335.20532	0.8
349.12601	0.8
407.74310	0.3
440.12967	0.3
480.25720	0.3
481.16837	100.0
481.25797	11.1
482.16760	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1687
Annotation	BRUCEIN B
Peak:m/z	Relative Intensity
55.05505	0.2
56.05043	0.2
57.03434	0.2
67.05508	0.4
68.05030	0.2
69.03424	0.4
69.33592	1.4
70.06594	1.8
71.04984	0.2
72.08151	0.8
79.05490	0.2
81.03410	0.2
81.07048	0.3
83.04958	0.3
84.04504	0.3
84.08145	1.3
85.02912	0.6
86.06071	0.3
86.09683	0.8
89.44183	0.2
91.05490	0.3
93.07055	0.2
95.08603	0.3
97.02880	0.4
98.09692	4.0
99.10024	1.0
105.06963	0.3
107.08572	0.2
110.07204	0.3
117.03385	0.6
120.08129	0.3
121.06540	0.3
122.06019	0.2
127.03702	1.0
129.10260	0.5
133.10222	0.2
136.07629	0.2
137.06001	0.6
138.05519	0.2
140.14349	1.3
141.14687	0.7
145.02827	2.3
146.03209	1.2
147.04439	0.2
149.05983	0.2
158.15446	1.0
159.15779	0.4
169.04770	0.3
171.02692	0.4
173.04234	0.4
175.43233	0.2
177.05479	4.6
178.05838	2.8
186.06592	0.8
194.04402	0.2
215.05260	0.8
225.10251	0.2
229.06882	0.8
230.05440	0.2
245.31551	0.2
257.06531	0.3
257.12823	0.3
259.05786	0.7
275.07339	0.2
277.06839	0.3
287.05515	0.3
291.08533	0.4
301.08905	0.3
301.11868	1.6
317.08386	2.6
319.12772	0.8
328.69345	0.2
334.20325	0.2
335.20468	0.6
349.12479	1.1
423.12601	0.2
440.13004	0.5
481.16818	100.0
481.25925	4.1
482.16992	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01860	0.8
55.05506	2.0
56.05049	1.0
56.80794	0.8
57.03432	3.1
57.07067	2.5
61.02929	0.9
61.90483	0.8
65.03945	1.0
67.05508	6.3
68.05019	1.0
69.03436	1.6
69.07063	3.6
70.06597	7.3
71.04993	21.4
71.51846	1.0
72.08152	1.5
73.02898	0.9
73.25040	0.7
73.78188	0.9
75.04473	2.4
78.25033	0.7
79.05492	7.9
81.03410	1.4
81.07057	100.0
82.07414	0.9
83.04979	3.6
84.04520	1.2
84.08148	5.2
85.02907	37.4
86.09708	3.1
87.04493	0.9
91.05488	2.2
91.30117	0.8
92.03125	0.7
93.07037	2.9
95.04966	1.1
95.08604	16.8
97.02880	2.1
98.09695	32.2
104.10769	2.0
105.07030	3.0
107.04969	1.1
107.08573	1.7
109.06515	0.8
109.10143	2.6
111.04430	1.9
112.07690	0.8
117.03358	4.3
119.08583	1.4
120.08103	2.1
121.06491	1.3
121.10162	1.7
127.03928	3.0
129.05481	16.3
129.10252	1.5
130.05014	0.7
131.08542	1.4
133.10129	1.8
135.08052	1.0
135.11693	1.0
136.06259	0.8
136.07573	1.4
137.06013	0.9
137.13261	25.0
140.14340	9.8
145.02847	15.0
145.04951	1.7
145.06328	0.8
147.06537	9.6
147.11685	1.0
149.05991	1.5
150.09235	1.0
154.15894	0.9
158.15398	5.5
161.09608	1.2
164.09216	2.6
177.05473	28.6
178.50540	0.8
178.64513	0.9
186.05588	1.0
205.53577	0.7
238.05951	0.9
255.08604	1.7
273.09637	1.8
280.12238	0.9
283.25888	0.7
309.11826	1.7
334.20114	4.1
480.18597	2.3
480.25885	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	480.259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70606	0.5
67.05486	1.6
70.06593	6.0
84.08125	1.2
85.02906	1.0
89.03917	4.5
89.05942	0.7
96.08125	1.0
98.09695	74.4
99.10084	0.7
102.88419	0.6
117.03381	17.0
133.74977	0.6
134.03648	0.9
135.04480	0.8
137.06033	1.2
140.14346	23.6
142.96448	0.6
145.02850	60.7
146.03175	1.2
149.05994	5.8
158.15410	25.8
165.31355	0.6
177.05473	82.7
186.05518	1.5
190.93570	0.6
191.95764	0.7
212.50449	0.7
305.10217	2.1
334.20132	9.7
480.25952	100.0
481.26251	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	480.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91537	0.5
63.02371	0.8
67.05483	1.4
70.06597	3.7
70.34984	1.2
70.35340	1.1
71.04985	1.2
74.21561	0.5
75.16074	0.5
77.33945	0.4
78.33300	0.5
84.08154	0.6
85.02890	1.0
89.03926	5.0
91.05441	0.6
98.09698	42.8
117.03387	19.3
117.58369	0.4
124.11462	0.5
134.03674	0.8
135.04449	0.9
140.14346	16.0
145.02853	63.7
146.03177	1.1
149.06003	6.7
151.03923	0.4
152.21889	0.5
158.15414	32.5
163.03957	0.7
177.05478	100.0
178.05870	1.2
186.05489	0.9
193.39275	0.5
271.48309	0.5
305.10217	1.5
334.20135	10.0
418.37924	0.5
455.05103	0.5
480.25949	95.8
481.26328	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	480.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56906	1.1
51.95559	1.2
53.03939	2.0
55.01868	2.3
55.05516	3.2
56.86721	1.0
57.03426	1.9
67.05518	7.2
69.03436	7.4
69.07063	4.3
69.28114	10.1
70.06599	6.9
71.04993	5.0
74.64913	1.1
79.05506	9.2
81.03423	13.8
81.07055	12.0
83.04993	2.3
83.08636	1.4
84.08164	2.2
85.02902	6.7
85.06538	4.9
87.00806	1.5
89.03903	4.4
91.05485	2.7
93.07049	19.7
95.04979	1.8
95.08628	7.5
97.02918	3.4
97.06535	4.1
97.10191	1.3
98.09706	73.2
99.04461	9.6
102.45518	1.2
102.90316	1.1
104.89149	1.0
105.01866	3.9
105.07050	15.1
107.04969	1.6
107.08604	23.4
109.02901	16.5
109.06529	4.7
109.10162	4.6
111.08109	2.6
113.06015	2.2
117.03387	13.4
117.07008	2.6
119.08583	6.7
121.06535	7.6
121.10165	21.8
122.29208	1.1
123.08115	3.2
123.11689	2.5
127.03920	19.7
129.06967	1.1
135.04466	1.5
135.08066	4.2
135.11673	10.4
139.11232	1.4
140.14354	25.3
145.02856	55.7
145.10136	20.0
147.11685	2.1
149.05937	5.4
149.09572	7.3
151.07581	1.4
158.15424	25.4
163.11198	49.8
167.10692	11.5
169.08614	11.4
173.09647	3.8
177.05490	96.1
179.18016	2.0
181.12250	9.9
185.11786	3.2
191.10678	29.9
191.12326	2.2
197.19008	2.1
209.11734	24.7
227.12813	51.0
269.13937	6.0
271.13333	1.8
283.15399	16.8
289.14346	2.8
299.12708	1.4
301.16824	1.5
305.10281	2.0
317.13956	3.5
328.87338	1.1
334.20102	9.7
335.14932	3.7
350.33795	1.1
353.15991	22.3
371.17029	15.0
389.17877	2.2
480.25992	100.0
481.25797	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	479.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11266	1.8
55.05505	5.7
57.07076	77.5
61.87975	1.8
63.89215	1.5
64.18115	1.6
65.43628	1.6
67.05507	4.0
69.07068	10.4
70.91093	2.1
70.91432	2.9
71.04988	18.7
71.08633	69.3
79.05482	3.4
81.07053	4.6
83.08603	5.8
85.10182	40.8
89.06030	47.1
93.07025	7.6
95.08604	4.6
97.10161	3.3
99.11731	7.9
105.07037	5.1
107.08597	9.9
109.10162	5.5
111.04451	1.9
113.13323	4.2
117.07028	2.8
119.08572	4.8
121.06543	1.9
121.10128	5.5
123.11690	2.3
125.05990	63.4
127.14848	2.8
131.08589	3.4
133.10056	2.4
135.08063	5.4
135.11714	1.9
137.05952	4.6
137.09625	4.1
139.07559	4.8
141.05441	3.9
145.10127	4.6
147.08081	2.3
149.06018	4.3
149.09636	5.4
150.55351	1.7
151.07552	33.4
153.05466	100.0
153.09058	4.0
155.18001	2.2
158.82703	1.7
159.11661	3.1
163.07530	12.2
163.11247	2.3
165.09114	34.4
167.07039	4.7
173.09576	3.2
173.13316	3.1
177.09084	20.3
177.12730	2.0
179.10667	12.1
181.08601	4.0
183.06602	1.9
187.11087	3.1
191.10681	8.4
193.12276	2.8
195.10176	6.0
201.12708	1.6
205.12271	4.5
207.13843	1.9
209.11749	3.5
215.14230	3.5
219.13840	4.0
223.13287	6.2
233.15353	4.6
237.14864	4.6
243.17276	1.7
247.16949	3.9
251.16492	8.0
261.18533	3.5
265.17975	10.6
271.20743	1.5
272.80826	1.9
275.20145	2.7
276.99969	1.6
279.19513	11.8
289.21826	1.8
293.21094	10.1
303.23221	2.7
307.22778	9.2
317.24741	2.2
321.20868	1.9
321.24283	7.2
335.22073	1.7
335.25784	5.2
358.05032	1.6
363.28885	2.0
419.35178	60.0
433.36935	2.7
461.36172	7.7
479.36581	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	479.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	20.0
57.07080	91.7
67.05495	14.6
69.07069	33.6
69.25652	7.7
69.26056	19.0
71.08637	77.5
79.05507	11.2
81.07061	38.3
83.04979	12.1
83.08627	30.1
85.06532	7.5
85.10191	49.9
85.34406	3.4
87.04468	3.7
91.05503	4.6
93.07031	27.5
95.08621	29.6
95.14639	3.1
96.98843	3.0
97.06541	8.0
97.10189	17.1
99.08089	3.9
99.11729	7.0
101.06033	36.5
104.16792	3.0
107.08590	31.9
109.06509	11.5
109.10149	17.9
111.04441	3.3
111.08069	4.8
111.11713	12.6
113.09607	3.3
115.07582	7.0
119.08531	3.3
121.06486	4.2
121.10162	14.8
123.11693	7.4
125.05986	7.8
125.09630	5.8
127.07564	86.9
127.11247	3.8
128.50575	3.4
129.04524	5.2
129.05486	100.0
135.08066	4.4
135.11711	19.5
137.13264	5.3
139.07533	6.0
139.11201	3.8
141.16371	6.7
143.07002	8.0
149.13249	16.0
153.09114	6.1
153.12645	4.8
157.08565	3.9
163.11118	4.2
163.14847	11.7
167.14330	4.6
167.16873	3.0
177.16377	9.5
181.15829	5.5
185.11734	3.8
191.17989	5.2
192.20047	3.0
195.17389	3.6
199.16693	2.9
205.19566	3.3
209.19006	3.7
209.70157	4.1
219.21144	5.2
221.22496	3.5
233.22659	5.0
254.09943	3.1
289.28818	9.8
307.29901	14.6
325.11700	3.6
335.29532	6.7
353.30447	3.8
433.36844	5.2
479.37201	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	479.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05509	4.5
57.03437	1.3
57.07080	1.0
58.15420	0.6
59.40799	0.5
67.05510	9.5
68.05022	0.7
69.03424	1.1
69.07063	7.7
70.06590	2.5
70.76672	0.8
70.77007	1.1
71.04998	0.7
72.08120	0.7
79.05485	4.5
79.52928	0.6
81.06592	1.2
81.07063	18.4
83.04980	1.6
83.08625	2.9
84.08122	1.8
85.02911	1.6
85.06551	0.9
86.06065	1.0
86.09704	1.1
91.05492	3.3
93.07068	5.6
95.04973	1.4
95.08609	15.8
97.02889	0.8
97.06516	1.2
97.10183	2.6
98.09682	1.2
99.04480	0.6
99.08076	0.9
105.07032	4.7
107.08594	4.6
108.05756	1.0
109.06501	0.7
109.10175	5.6
111.04424	2.0
111.08041	0.7
111.11730	2.1
117.07025	1.1
119.08597	3.4
121.06514	1.7
121.10143	4.0
123.08073	10.4
123.11713	9.6
127.03938	1.0
129.06984	0.7
131.08562	1.3
133.10168	2.0
135.08070	5.4
135.11728	2.4
137.05934	0.6
137.09616	0.8
137.13261	0.9
139.11165	1.5
141.12738	1.2
143.08600	1.0
145.10143	2.4
147.08041	1.1
147.11710	2.2
149.09621	2.0
149.13243	3.1
151.07547	100.0
157.10123	1.2
157.12236	1.1
159.08034	1.4
159.11705	2.4
160.08801	1.1
161.09624	2.6
163.07458	0.6
163.11192	2.6
163.14764	0.6
165.09132	4.5
169.12186	1.4
173.09592	2.5
173.13292	0.9
175.07520	1.2
175.11176	8.8
176.08318	1.9
177.09114	8.8
177.12708	0.8
185.13138	0.6
187.11197	3.0
187.13277	2.5
187.14816	0.6
189.09116	2.1
189.12749	2.9
190.09903	1.2
191.10674	37.5
199.11165	5.0
201.12779	1.0
203.10701	2.6
203.14299	0.7
203.18033	0.7
205.12242	12.1
213.12785	0.8
215.10631	1.3
215.14220	0.7
217.12317	1.6
219.13950	0.6
231.13760	3.3
237.18597	1.1
239.20128	0.8
243.17465	0.7
245.15338	1.5
251.20045	1.0
265.26315	0.6
269.21222	3.5
271.16888	0.6
275.20081	1.1
281.17181	0.6
282.17657	1.1
285.18427	1.1
287.20056	1.8
305.24750	2.9
369.24054	0.8
379.29947	1.3
381.57040	0.6
397.31024	1.7
407.29330	1.6
415.32083	1.7
425.30457	11.6
443.31650	8.7
479.29959	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60350	3.2
53.03941	10.6
55.01875	18.7
55.05516	39.3
57.03444	35.2
57.07082	6.8
65.03953	4.2
66.92335	3.9
67.05510	100.0
69.03431	58.3
69.07069	40.0
71.01348	6.4
71.05000	11.0
71.52329	3.6
71.52720	4.0
73.02910	11.0
79.05496	66.2
81.03425	50.4
81.07062	91.4
82.07404	4.7
83.04977	14.2
83.08630	17.6
85.02909	25.3
85.06547	4.6
87.04473	6.3
89.23968	4.0
91.05481	67.2
93.07049	77.3
95.04971	17.2
95.08617	70.8
97.02921	21.7
97.06539	12.6
97.10180	7.6
99.04460	13.7
103.03941	11.7
105.07040	51.6
107.04951	17.3
107.08601	44.2
109.02888	16.9
109.06519	7.4
109.10147	29.4
111.04474	6.9
111.08133	4.9
115.03928	7.3
115.05482	5.2
117.07024	33.4
119.08599	28.9
121.10145	35.1
122.10447	4.5
123.04431	5.8
123.08075	7.9
123.11693	14.3
127.03922	29.1
129.05489	5.9
129.06972	20.8
131.08556	31.1
133.06514	8.3
133.10132	28.1
135.08098	6.6
135.11716	27.1
137.05949	4.5
141.07025	9.4
142.07811	6.6
143.08588	20.8
145.04930	7.1
145.06526	8.2
145.10147	31.5
147.08043	8.8
147.11674	23.8
149.05992	4.7
149.09525	4.4
149.13271	9.8
155.08546	10.2
157.10127	14.9
159.08029	6.6
159.11696	23.5
161.05952	6.1
161.09605	7.8
161.13281	14.1
163.11203	5.6
163.14841	7.9
169.10143	8.9
171.08112	6.7
171.11696	11.6
173.09535	5.8
173.13248	11.1
174.35748	5.1
175.07623	4.6
175.11195	7.7
175.14868	7.9
177.12497	3.7
181.10120	8.1
183.06544	6.3
183.11711	9.6
185.09770	5.4
185.13280	12.6
187.11264	7.5
187.14894	8.9
189.12682	5.3
193.08235	4.4
193.71753	4.3
195.11719	5.9
197.09689	4.4
197.13184	4.7
199.14842	7.4
201.07538	7.7
201.12753	4.6
205.12340	4.1
211.14854	4.9
213.12781	5.1
215.14326	3.8
225.16365	3.9
226.88437	3.6
227.14384	5.9
258.59113	4.4
259.20587	8.0
261.22119	17.7
277.21783	5.3
285.22171	5.8
307.28210	19.9
315.23349	4.9
317.24725	4.2
327.23059	11.8
335.26025	9.4
337.27234	9.6
338.27759	70.5
339.23209	5.4
341.24789	9.2
345.24283	6.6
351.23151	12.0
359.25421	4.4
369.24210	29.3
377.26492	6.0
387.25262	25.1
401.26501	4.2
405.26263	5.5
419.28006	12.4
425.26880	6.7
431.27545	5.9
443.27954	19.6
449.29025	11.7
461.29114	65.7
479.30103	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
56.05039	77.6
57.03427	3.8
58.06600	12.8
61.01151	46.3
68.05021	2.0
69.03448	1.5
69.07065	1.4
70.02959	5.5
70.06598	10.8
70.70218	1.3
70.70546	1.9
71.87876	0.9
72.08142	3.7
73.02919	2.8
74.06082	100.0
75.02683	1.3
79.68620	0.8
82.06570	2.9
84.04501	12.9
84.08145	9.4
85.02907	1.5
86.06065	3.7
86.09708	36.5
86.73118	0.9
88.03999	7.4
93.83025	1.0
98.02416	1.2
98.09662	1.5
99.05567	1.9
100.07607	2.3
101.07119	3.5
102.05543	1.8
104.05332	80.6
108.04472	7.7
110.06075	4.8
110.07150	2.1
111.05569	1.8
112.11227	2.9
113.07122	1.5
120.08092	2.7
124.11234	2.6
125.07127	6.7
126.04585	1.2
126.05521	24.3
127.04097	1.1
127.05051	1.9
127.08683	5.4
129.06599	2.8
129.10207	3.1
130.05014	2.8
130.06853	3.9
132.10213	23.9
134.27719	1.0
136.03946	1.1
136.07561	2.4
138.05521	3.2
139.53346	1.0
141.13872	4.8
142.22171	0.8
143.11815	1.0
144.06555	22.5
145.06081	2.7
153.01762	1.1
153.06612	3.5
154.04971	1.0
155.08151	1.0
156.04753	8.6
158.06299	0.9
158.11771	3.0
169.13379	5.7
170.09268	1.2
171.07649	6.0
174.05838	20.9
175.09050	1.6
181.06105	1.2
183.25479	0.9
187.14441	10.9
189.08713	12.6
197.12912	6.1
199.07132	3.3
201.05295	0.7
201.06929	24.4
202.05333	4.0
215.13916	48.3
217.08199	20.1
217.09798	0.6
219.07985	17.8
227.10207	1.0
230.04890	1.4
230.99258	1.0
233.14972	89.4
234.15385	1.2
243.13496	4.4
247.07494	50.0
263.14172	0.9
284.16068	5.2
286.08594	1.2
286.11642	1.2
302.04086	1.0
302.11639	2.8
304.09747	1.3
312.15579	1.4
317.06555	11.6
320.12738	2.1
330.11169	6.9
330.16605	19.0
348.12201	38.5
348.17557	8.2
352.16592	1.1
358.16324	1.4
366.13235	1.6
397.19049	1.2
402.48581	1.0
415.20142	4.4
443.19730	10.7
444.17639	1.3
461.14175	1.5
461.20667	25.6
479.15921	2.2
479.22849	5.3
479.28305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
51.21630	0.6
55.01865	0.7
55.05310	0.5
55.05517	5.3
57.03440	0.8
57.07067	1.0
62.06082	1.7
67.05499	7.3
67.96533	0.5
69.07068	5.4
70.06579	0.7
71.51622	0.6
73.02929	0.7
79.05505	2.8
81.07061	7.6
83.08615	2.5
84.51662	0.5
85.05279	1.0
91.05467	1.8
93.07052	3.1
95.08610	5.4
97.10162	1.1
98.06056	8.1
98.98440	0.7
105.07027	1.9
107.08613	1.5
109.10172	1.6
112.07633	1.5
119.08575	0.9
121.10148	1.3
123.08076	0.6
123.11677	0.9
123.60595	0.6
125.09623	0.7
133.49942	0.6
140.68716	0.6
143.81447	0.5
147.11716	1.0
149.02380	0.8
156.18907	0.6
159.12836	0.6
182.15512	0.7
187.11493	0.6
196.16997	0.7
222.18530	0.6
245.39798	0.7
306.27911	100.0
307.28302	1.3
324.28931	0.7
337.27368	2.7
478.36212	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	478.293
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03944	0.8
55.01875	0.9
55.05513	11.1
57.03445	4.2
57.07066	2.4
58.21200	0.6
62.06090	30.1
65.03949	0.7
67.05507	30.1
69.07071	14.9
69.78709	0.5
70.06568	0.6
70.81345	1.1
70.81687	0.6
71.08630	1.2
79.05497	7.9
81.07058	28.7
83.04969	1.3
83.08620	6.6
85.06522	0.5
91.05476	5.9
93.06485	0.8
93.07048	10.3
95.05002	0.8
95.08611	22.2
97.06538	1.4
97.10160	3.2
98.06061	3.7
98.98464	8.0
105.07020	3.7
106.07355	0.6
107.08595	7.3
109.06509	0.6
109.10162	8.1
111.08084	1.2
112.07600	0.7
119.08577	2.7
121.10142	4.5
123.08071	0.6
123.11709	2.8
124.01643	1.0
131.08568	0.9
133.10103	3.3
135.11690	2.4
137.13293	1.0
142.02684	0.7
147.11693	1.3
149.13252	1.2
151.14880	1.0
155.01074	5.2
161.13293	2.0
163.14897	0.8
165.37224	0.5
173.02130	2.0
175.14832	0.7
177.16275	0.7
178.00674	0.5
198.05267	2.2
216.06285	3.1
225.16922	0.6
245.22652	2.0
263.23688	5.8
306.27914	26.6
307.28149	0.6
319.26501	0.8
337.27368	100.0
338.27713	1.6
357.90680	0.6
417.23956	1.2
460.28311	7.8
469.13141	0.6
478.29327	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	478.2929
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03938	0.6
55.01861	0.5
55.05517	10.7
57.03166	0.3
57.03443	6.6
57.06843	0.2
57.07079	2.1
58.54866	0.2
62.06083	0.4
65.03938	0.8
67.05509	21.9
69.07074	14.2
69.07464	0.3
69.80732	0.4
69.81126	0.4
71.04975	0.7
71.08630	0.5
73.06528	0.3
79.05501	6.1
81.07062	22.9
82.45713	0.2
83.04986	0.9
83.08623	8.0
85.06524	0.7
85.10182	0.3
91.05486	4.3
93.07053	6.7
95.04958	0.4
95.08614	17.5
97.06546	1.0
97.10172	3.5
98.06036	0.3
98.98441	0.3
99.08103	0.4
105.07034	3.0
107.08606	3.8
109.06518	0.3
109.10162	6.2
111.08076	0.7
111.11717	0.6
119.08594	2.2
121.10149	2.3
123.08069	0.3
123.11721	2.1
124.01568	0.3
125.09638	0.5
128.68231	0.2
131.08565	0.2
133.10147	2.3
135.11694	1.6
137.09605	0.5
137.13252	0.8
147.11684	1.4
149.13242	0.7
151.11234	0.2
151.14807	0.4
153.12706	0.2
161.13222	1.0
163.14824	0.4
175.14836	0.7
198.05307	0.4
216.06357	0.7
216.68304	0.2
224.97168	0.2
245.22662	0.3
263.23740	0.8
306.27896	2.0
337.27380	100.0
338.27820	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01885	11.0
55.05508	5.0
56.05042	1.8
57.03445	10.5
57.07057	3.1
60.05661	2.9
61.02931	6.2
67.05521	13.7
68.05035	6.2
69.03439	29.5
69.07084	9.8
70.02964	2.1
70.06609	14.9
70.44628	4.9
71.01367	4.1
71.05003	65.9
72.08173	3.1
73.02917	6.2
79.05494	9.2
81.03427	14.6
81.07069	15.7
83.04968	3.7
83.08638	4.4
84.04502	4.5
84.08163	11.9
85.02916	70.3
86.06091	8.1
86.09699	6.7
87.00846	30.5
91.05488	11.4
93.07072	8.4
95.04970	4.2
95.08605	5.9
97.02911	22.9
97.06524	2.9
97.10162	5.1
98.09708	2.5
99.04453	8.3
103.05467	2.7
105.01881	53.6
105.07050	13.0
105.77184	1.7
107.04948	3.4
107.08593	4.2
108.04500	2.9
108.08088	2.2
109.02882	14.7
109.06551	2.6
109.10183	12.8
110.07162	3.0
111.11756	2.7
113.09664	24.1
115.03951	4.5
117.01868	2.1
119.04921	1.9
119.08595	6.7
120.08105	4.5
121.06512	12.0
121.10179	6.0
122.09619	1.6
123.08079	2.5
123.11727	13.8
127.02982	2.4
127.03931	47.9
129.01855	3.1
129.10268	3.3
131.08559	3.6
133.04942	3.6
133.06494	3.3
133.10184	3.9
135.06926	1.6
135.08070	2.9
135.11739	3.4
136.07593	4.4
139.11191	6.1
140.14287	2.1
143.08594	2.0
145.04980	17.2
145.10117	4.5
146.06038	2.3
147.11668	3.5
149.09610	1.9
150.09149	6.5
151.07489	2.5
156.81473	1.9
157.12199	3.5
159.02939	6.8
159.11670	1.8
165.09114	3.7
166.09540	2.6
172.04053	1.9
185.32823	1.7
189.03964	4.4
195.17473	100.0
195.99046	1.5
213.03961	3.9
213.18526	30.0
217.04924	1.9
231.05017	14.0
249.06113	9.1
281.17572	9.6
297.31387	1.5
311.09244	2.8
329.10477	2.1
368.22900	2.5
386.24045	3.2
396.25684	2.0
404.25229	2.3
425.88977	3.1
442.26373	4.2
443.14938	4.3
460.27451	5.7
478.19534	3.3
478.29553	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	478.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.2
55.01875	5.2
55.05506	5.8
57.03432	6.1
57.07079	1.2
60.04513	1.3
61.02923	3.1
67.05511	4.9
68.05025	2.2
68.99778	1.0
69.03436	24.8
69.07068	10.0
70.06606	9.5
71.04992	3.1
71.52223	1.2
72.08165	4.3
73.02917	4.6
79.05504	6.7
81.03419	13.2
81.07061	9.2
83.08618	7.4
84.04501	2.8
84.08141	7.4
85.02908	53.2
86.06062	2.5
86.09710	7.0
87.00831	18.2
87.04476	4.1
91.03931	1.5
91.04962	0.8
91.05469	4.9
93.07042	17.3
95.04985	1.1
95.08614	29.3
97.02898	22.2
97.06521	1.1
97.10172	3.8
98.03239	1.2
98.06086	1.0
98.09683	7.3
99.04452	8.8
103.03957	5.2
105.01874	28.7
105.07044	4.9
107.08598	37.1
109.02876	15.1
109.06507	0.9
109.10162	11.1
110.07195	1.3
110.10530	0.8
111.08062	1.0
115.03947	8.5
116.04278	1.2
117.01883	1.3
119.04938	2.0
120.08121	1.3
121.06509	1.1
121.10147	62.1
123.11713	2.2
125.09721	1.0
127.03927	36.7
129.01823	1.2
129.10248	3.2
133.04982	5.7
134.05276	1.1
135.05370	1.3
135.11699	13.4
136.07576	1.4
137.05974	1.7
137.09607	1.5
137.13252	8.2
140.14362	2.2
145.02959	1.3
145.04953	16.2
147.03120	1.2
147.04430	6.1
149.13243	5.5
155.10683	1.1
158.15381	1.6
159.02908	6.4
163.06079	4.9
165.09140	1.9
166.09581	1.1
167.09691	1.4
177.04027	0.9
177.05554	2.8
177.16393	100.0
177.30188	0.8
189.03943	1.6
195.17453	19.8
213.03989	1.9
231.05013	10.2
249.06067	4.2
307.09988	1.2
425.89127	1.5
439.05438	1.0
460.18765	1.0
478.24561	7.3
478.36020	0.9
497.13153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
55.01859	6.6
55.05505	4.3
56.05056	3.6
57.03429	6.1
60.04504	2.1
60.05661	3.9
61.02918	5.4
67.05502	8.9
68.05019	6.9
68.92503	1.7
69.03434	19.1
69.07052	4.7
70.02966	2.1
70.06595	28.7
70.96119	3.4
70.96490	3.6
71.01348	2.8
71.04971	5.4
71.06901	2.1
72.08159	11.1
73.02906	10.0
79.05492	3.3
81.03422	13.7
81.07052	8.7
83.08671	2.1
84.04509	8.2
84.08150	28.9
85.02909	71.3
86.06059	12.7
86.09708	15.0
87.04482	2.2
91.05474	6.3
93.07034	6.6
93.37213	1.7
95.04940	2.4
95.08622	3.0
97.02891	27.9
97.06512	3.8
98.09701	22.3
99.04456	37.1
103.03946	83.2
105.07030	5.0
107.04926	2.7
107.08618	3.8
109.02881	14.4
109.10158	30.3
110.07156	7.5
110.09648	3.3
111.04452	3.6
112.08749	2.4
114.05555	2.2
115.03902	5.6
119.04942	5.4
119.08602	3.5
120.08094	10.2
121.06488	6.9
121.10122	2.8
127.03925	100.0
129.10225	4.9
133.04951	5.0
133.10095	3.0
135.07999	1.6
136.06219	2.8
136.07561	7.7
137.09622	10.6
140.14323	6.3
144.13841	2.0
145.04964	63.9
147.04420	27.7
147.11687	2.4
149.09564	1.8
150.09135	2.0
155.10661	19.3
157.04994	2.3
158.15401	4.4
161.05910	1.9
163.06032	62.7
169.04903	2.6
187.06009	3.6
205.07082	3.7
271.08084	5.7
271.85309	1.9
289.09131	7.0
307.10266	17.3
325.11844	2.0
425.88806	2.9
426.22113	1.9
435.88705	1.8
460.27307	2.6
463.46555	1.8
478.24817	15.5
479.19266	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	477.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	38.2
57.07078	30.2
67.05514	40.6
69.07074	77.5
69.47019	28.4
71.08617	20.0
79.05499	25.2
81.07064	100.0
83.04987	5.8
83.08630	42.2
85.10184	10.3
91.05471	14.0
93.07063	26.7
95.04913	5.4
95.08617	88.3
97.10187	28.7
99.04425	7.1
105.07017	23.9
107.08593	23.1
109.06494	14.0
109.10155	45.3
111.04416	14.2
111.11701	18.4
119.08576	18.9
121.10149	21.5
123.08043	9.0
123.11732	30.3
125.05981	21.4
127.03908	13.6
128.26727	4.8
129.07106	4.6
131.08580	9.2
133.06487	15.5
133.10129	12.0
135.08047	6.9
135.11676	19.4
137.05981	68.4
137.13272	11.4
142.07758	10.3
143.08592	9.8
145.10117	14.0
147.11623	5.7
149.13205	19.5
151.07513	35.8
153.05504	6.4
156.09372	6.0
157.10120	19.6
159.11679	27.2
159.81482	4.7
161.09676	8.6
161.13274	7.8
163.14792	7.8
167.07066	15.4
169.10132	8.8
171.08093	23.1
171.11656	8.5
172.08824	9.1
173.09674	34.1
175.11160	15.3
177.09117	8.6
177.12708	6.5
179.17900	5.5
185.09615	42.4
187.11209	33.2
189.09154	7.3
189.12854	7.4
191.10643	7.9
193.08592	19.9
197.49022	4.7
199.11255	7.4
201.12750	12.7
203.10641	13.1
205.12190	12.7
213.12743	10.7
215.10710	4.8
217.12222	7.0
220.17056	7.4
238.18054	12.7
275.27325	37.6
300.61819	5.0
315.30518	8.6
381.31601	25.3
395.33163	11.0
399.32608	17.0
413.33887	7.6
423.32645	10.8
441.33704	27.4
459.34525	28.5
477.36209	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01869	0.3
55.05494	0.2
56.05007	0.2
57.03448	0.1
65.03941	0.5
67.04230	0.1
67.05509	1.0
68.05029	0.1
69.03425	0.2
69.07075	0.2
70.02970	0.1
70.06596	0.5
73.02901	0.1
79.05491	1.2
80.05009	1.3
80.06271	0.2
81.03424	0.4
81.05798	0.5
81.07047	1.0
82.06585	0.4
83.04968	0.2
84.04520	0.2
84.08147	0.8
85.02901	0.5
86.06071	0.3
86.09679	0.3
89.03915	2.6
91.05486	1.2
92.05009	0.4
93.03424	0.2
93.05782	3.3
93.07047	0.5
94.06559	2.0
95.04958	0.4
95.08602	0.7
96.04482	0.2
96.08099	0.1
97.02878	0.3
97.06538	0.1
97.10169	0.2
98.06053	0.1
98.21532	0.5
103.03955	0.4
103.05454	0.2
104.05009	0.4
105.05821	0.2
105.07041	1.2
106.06554	1.3
107.04943	0.2
107.06725	0.1
107.07334	6.3
108.04482	2.6
108.08117	100.0
109.08929	0.4
110.06032	0.4
110.07198	0.1
110.09666	0.4
116.04977	13.0
117.03410	0.3
117.05815	0.3
118.06549	0.5
119.08587	0.2
120.04457	0.8
120.08082	1.4
121.06504	0.1
121.08868	0.8
121.10203	0.2
122.06024	0.8
122.09669	8.9
123.08064	0.1
124.07560	0.2
126.05563	0.1
127.03918	0.6
129.07016	0.1
130.02902	0.3
131.08536	0.2
132.04485	0.8
133.10120	0.1
134.06041	1.2
135.06781	2.1
136.03915	0.2
136.07582	4.9
137.09624	0.1
137.13243	0.4
138.05476	0.4
138.09132	0.9
140.07094	0.2
144.04445	12.0
145.02840	0.7
145.05031	0.5
146.06006	12.1
148.07562	0.5
149.08372	0.4
150.09138	85.8
151.07536	0.5
151.09526	0.5
152.07043	1.7
154.05002	0.9
158.05981	0.2
160.03952	3.3
162.05507	1.0
163.03870	0.4
163.06097	0.5
165.09109	0.4
166.05014	0.4
168.06555	2.6
172.03931	14.3
173.04723	0.5
173.07016	0.2
174.05511	9.0
176.07033	0.3
178.05017	0.4
180.25920	0.1
183.09201	0.2
184.07472	0.2
188.07065	0.2
190.04988	48.2
191.05588	0.7
192.06555	0.4
194.09688	0.2
195.09175	0.4
196.06105	0.2
196.09943	0.5
197.07005	0.2
197.10732	0.5
198.07777	0.4
198.11572	0.2
199.08731	0.2
207.09224	0.3
209.10757	0.4
210.11577	0.5
211.08647	0.8
211.12259	0.2
212.07578	0.1
212.09236	0.6
213.10225	0.4
213.13849	0.8
221.10805	0.4
222.09253	0.2
223.08643	0.5
223.12166	0.2
224.09291	0.7
225.10245	3.0
225.13892	0.5
226.10965	0.4
227.08144	0.5
227.11803	0.3
228.08992	0.4
229.13383	0.1
230.38872	0.2
235.08617	0.2
235.12338	0.2
237.10266	0.7
238.10851	0.6
239.08134	0.6
239.11826	1.0
240.08846	1.5
241.09732	0.8
248.05527	0.3
249.10291	0.6
251.08145	0.4
251.11786	0.4
252.09029	0.8
252.12489	0.1
253.09720	3.6
253.13347	2.4
254.10516	0.3
255.11337	0.4
257.12924	0.3
261.12537	0.2
265.09753	0.5
266.10483	0.6
267.11255	2.0
269.09280	0.5
271.10822	0.2
277.09839	0.4
279.11154	0.6
280.08365	0.2
281.09241	4.4
281.12848	9.8
283.10724	0.7
283.14426	0.2
285.12408	1.3
287.10257	3.2
295.10797	3.5
295.14206	0.4
297.12292	1.4
299.10281	12.4
299.13788	0.6
300.10757	0.3
301.11783	0.5
305.09308	0.2
309.12326	51.8
310.12683	0.5
311.10181	0.6
311.13544	0.2
312.14841	0.2
313.11823	3.9
313.15274	0.3
316.19107	0.3
323.10266	5.3
323.14078	0.3
325.11703	0.2
327.13376	9.3
329.11298	6.7
340.13913	0.3
341.11288	24.6
342.11490	0.3
359.12402	0.6
368.23029	0.2
369.14001	0.2
390.18204	0.2
406.21176	0.2
408.19171	0.7
416.19873	0.2
418.17477	0.4
418.22531	0.2
432.19110	1.9
432.89880	0.1
434.20700	0.5
436.18677	10.6
437.19260	0.2
450.20251	1.5
460.18661	2.6
460.27151	0.3
478.19647	26.2
479.19934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2846
Annotation	Lucidenic acid G
Peak:m/z	Relative Intensity
55.01880	12.9
55.05513	65.2
57.03429	8.7
59.04987	3.8
65.03949	3.2
67.05507	66.5
69.03423	7.4
69.07069	22.3
70.06573	3.3
70.70681	3.2
70.71005	4.9
71.04983	5.9
77.03967	2.1
79.05498	61.3
81.03414	10.0
81.07066	61.0
83.05003	11.4
83.08623	35.0
84.08189	2.9
85.02892	3.9
85.06547	3.6
91.05486	56.0
93.03415	2.5
93.07050	42.5
95.04964	13.1
95.08621	19.7
97.02885	5.2
97.06513	7.5
97.10175	59.9
103.05475	10.1
105.07039	40.1
107.04927	12.5
107.08602	33.1
109.06551	5.4
109.10170	15.5
111.08105	6.7
113.22005	2.0
115.05479	8.8
117.07024	47.7
119.04936	3.0
119.08574	22.5
121.06498	11.3
121.10134	13.1
123.08084	5.4
123.11696	2.3
125.09631	48.8
128.06206	5.3
129.07014	30.2
131.04958	5.0
131.08565	40.1
133.06493	13.0
133.10136	12.1
135.08060	10.5
135.11679	8.1
137.09613	3.2
141.07045	11.3
142.07770	3.8
143.08582	16.2
145.06490	16.6
145.10149	15.2
147.08049	10.2
147.11693	6.6
149.09613	8.2
149.13281	5.4
153.09122	7.7
155.08575	14.1
156.35425	2.4
157.06549	5.3
157.10181	11.0
159.08080	12.1
159.11736	7.9
161.09621	3.4
163.11252	6.4
165.07025	3.0
165.09181	3.1
167.08563	4.6
169.10088	14.7
171.08072	5.9
171.10231	4.7
171.11708	10.0
173.11855	3.1
173.13272	5.3
175.11104	5.3
181.10114	3.2
183.11739	3.7
185.09668	5.7
185.13272	4.9
187.11115	3.9
187.14832	10.8
189.11232	31.9
189.12766	4.4
195.11749	4.4
195.13651	2.7
195.20174	2.3
197.13216	12.2
197.65082	2.3
199.11215	5.6
207.11888	2.9
209.11702	6.0
213.12796	6.3
215.14337	43.6
217.12308	2.5
223.14958	2.7
227.12708	28.5
231.13831	5.8
233.15411	12.2
237.12721	5.5
245.13622	4.6
257.15512	3.5
271.17059	3.3
273.15045	2.5
289.18011	3.9
310.01166	2.3
321.22049	2.9
331.20898	3.0
339.23264	5.0
349.21490	17.0
349.39600	2.7
357.24246	4.4
367.22665	43.9
385.23801	38.2
403.24948	18.4
441.26398	19.0
459.27402	100.0
460.27878	2.7
468.84146	2.3
477.28494	78.7
477.35422	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2849
Annotation	Lucidenic acid G
Peak:m/z	Relative Intensity
53.03933	8.6
55.01858	10.5
55.05513	59.3
57.03429	5.7
59.04983	2.7
62.95891	2.4
65.03939	2.9
67.05509	65.0
69.03429	5.1
69.07062	19.7
70.06595	2.4
71.04986	5.5
72.08159	2.4
79.05496	59.6
80.83724	2.0
81.03410	8.8
81.07056	53.3
83.04958	8.0
83.08139	3.3
83.08616	31.5
85.06515	3.0
91.05482	48.3
91.24490	2.7
93.07043	35.3
94.07380	2.9
95.04964	9.3
95.08614	20.4
97.06514	5.3
97.10175	54.9
99.08032	2.2
103.05457	15.5
105.04520	2.3
105.07030	60.0
107.04948	9.1
107.08591	32.1
109.06503	4.6
109.10133	13.7
111.03687	2.2
111.08067	4.5
115.05450	8.9
117.07019	45.3
118.46544	2.1
119.04929	4.1
119.08582	17.4
120.08113	2.2
120.77312	2.4
121.06491	9.2
121.10122	10.5
123.08064	4.2
125.09634	39.2
128.06190	5.9
129.07027	24.3
131.08566	31.5
133.06482	10.0
133.10146	12.2
135.08037	9.2
135.11682	7.8
137.09636	3.0
141.07050	15.2
142.07733	3.8
143.08542	14.5
145.06480	15.3
145.10147	18.3
147.08041	4.6
147.11705	5.4
149.09639	7.2
149.13295	3.0
153.09116	5.6
155.08563	12.8
157.06476	5.7
157.10103	8.2
158.37814	2.1
159.08060	8.1
159.11671	6.2
163.11189	9.3
165.07005	2.5
165.09058	4.0
167.08528	4.6
169.10106	10.6
171.08035	5.4
171.10254	4.3
171.11696	7.5
173.09586	3.3
173.13264	5.2
175.11072	3.1
181.10165	4.8
185.09656	3.3
185.13205	6.2
187.13326	3.2
187.14832	12.8
189.11227	34.1
193.10123	2.7
195.11784	5.0
197.13338	11.4
199.11253	4.1
203.14391	2.7
213.12758	5.0
215.14325	48.7
221.13252	3.7
223.11234	3.2
225.12868	3.3
227.12773	34.4
231.13777	3.0
233.15353	8.5
237.12875	2.5
241.12143	3.5
245.13866	5.7
259.13364	3.7
269.47314	2.8
271.16986	4.0
276.96094	2.4
335.25861	2.9
336.26126	20.0
339.23242	5.9
349.21649	15.2
357.23865	2.6
367.22690	38.8
385.23721	30.6
403.24832	15.3
441.26346	26.6
459.27390	100.0
477.28372	44.4
477.35077	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56812	2.2
55.05508	21.6
57.07066	12.3
65.04258	2.4
67.05513	14.7
69.07085	17.2
71.08631	3.3
72.73634	2.8
75.28414	3.1
79.05499	13.1
81.07063	54.5
83.08631	14.0
84.30202	2.9
91.05457	5.9
93.07030	15.2
95.08611	81.9
97.10175	24.5
99.08092	4.2
104.86993	2.5
105.07037	13.8
107.08599	37.1
109.10162	46.3
119.08591	20.9
121.10153	41.2
123.11713	82.1
125.09623	33.7
131.08565	2.6
133.10130	13.7
135.11690	29.4
137.13257	49.6
139.11206	3.0
143.10680	27.9
145.10117	7.5
147.11639	14.0
149.13281	24.0
151.14832	13.2
153.12747	11.7
159.11754	5.2
161.13251	19.9
163.14864	23.9
165.12753	4.3
165.16452	3.5
167.14360	6.2
168.59462	2.7
175.14836	14.5
177.16399	9.1
187.14833	6.0
189.16356	15.7
191.17952	8.6
201.16425	5.5
203.17960	9.2
205.19508	5.5
215.17973	3.5
217.19585	10.6
229.19406	4.2
243.21039	7.0
245.22806	3.0
251.04704	9.3
252.04962	4.9
259.24277	3.1
273.25781	100.0
275.27377	13.2
299.27350	73.9
317.28369	58.3
333.28183	3.3
364.17554	9.8
423.36099	9.8
441.37668	16.2
476.35709	8.7
477.33969	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	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01873	1.4
55.05521	6.7
57.03438	5.5
62.06094	36.0
67.05508	26.1
69.07073	9.7
69.85774	5.4
71.04966	1.5
79.05498	17.0
81.07060	23.9
82.75710	0.9
83.08611	2.1
91.05492	10.5
93.07047	21.1
95.04957	2.2
95.08608	20.6
97.06499	1.4
97.10180	1.7
98.06042	1.2
98.20946	2.0
98.98467	9.2
105.07046	8.5
107.08599	9.5
109.10136	7.5
117.06989	2.1
119.08559	5.0
121.06467	1.2
121.10143	11.2
124.01639	1.5
131.08551	3.2
133.10127	3.2
135.11679	5.2
142.02650	1.6
145.10130	1.8
147.11658	3.6
149.13251	3.1
155.01022	2.5
159.11661	1.7
161.09633	1.0
161.13268	2.2
173.02176	2.9
173.13385	1.5
184.59850	1.0
198.05309	2.4
216.06361	4.1
221.72028	1.0
243.21017	2.4
261.22147	7.3
273.74258	1.2
304.26389	13.6
317.24640	1.4
317.65912	1.1
320.10614	1.0
335.25806	100.0
415.22165	2.5
458.26614	7.4
476.27405	5.2
476.34387	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	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01564	0.2
51.02379	0.3
52.44177	0.2
53.03947	1.2
55.01875	0.4
55.05515	6.8
57.03166	0.4
57.03440	6.6
57.07069	0.8
62.06089	0.5
65.03933	0.9
67.05505	26.5
69.03422	0.4
69.07069	6.3
69.85475	1.0
71.04977	0.5
73.45664	0.2
73.94308	0.2
77.03912	0.3
79.05493	13.7
81.07056	23.1
83.04966	0.8
83.08623	2.7
85.06530	0.6
91.04905	0.3
91.05482	6.3
93.07045	16.5
95.04984	1.4
95.08608	17.7
97.06523	1.4
97.10157	0.9
98.98495	0.5
99.08122	0.4
105.04530	0.3
105.07025	4.2
107.08597	6.6
109.06524	0.5
109.10158	6.3
111.08070	0.3
117.07019	1.2
117.32224	0.2
119.08582	2.8
121.06527	0.3
121.10145	5.7
123.08053	0.4
123.11683	1.3
124.01545	0.3
131.08574	2.2
133.10159	1.9
133.38681	0.2
135.11700	3.0
137.09738	0.2
137.13246	0.3
145.10110	1.4
147.11694	0.8
149.13232	1.4
159.11652	0.7
161.13272	0.7
163.14812	0.3
173.13278	0.6
183.31361	0.2
187.14888	0.3
198.05168	0.3
216.06293	0.8
258.88303	0.2
261.22186	0.9
304.26385	1.7
335.25793	100.0
336.26175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.1
57.03443	28.5
59.05010	6.1
59.60649	3.2
61.02932	4.2
69.03441	82.5
69.36423	6.3
69.36829	14.1
70.06577	10.0
70.77070	2.6
71.05005	4.1
73.02914	11.3
81.03440	3.2
84.08129	5.4
85.02917	72.3
86.09706	4.1
87.04479	58.7
91.13456	2.8
97.02303	4.6
97.02907	69.4
97.03526	4.3
98.06048	2.8
98.09690	8.4
98.21526	5.0
99.10022	2.8
105.07036	9.6
115.03952	100.0
120.04414	3.3
121.06512	4.0
124.05235	11.3
126.74765	2.3
127.03928	11.7
133.04984	93.3
133.06464	5.9
137.06003	16.0
140.14426	3.5
145.04958	11.9
145.06569	2.6
147.04483	5.0
150.06551	2.6
150.07567	14.1
165.09155	37.6
173.05988	8.4
189.09058	2.8
190.05029	6.4
201.09180	3.3
223.12427	4.7
241.07193	2.8
251.11757	5.6
259.08206	5.6
279.11346	10.1
307.10776	35.5
476.18057	7.7
476.24557	5.4
488.75259	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	476.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
53.53354	0.5
55.01886	1.4
57.03444	21.1
59.05005	4.5
60.04533	2.6
61.02940	1.5
69.03439	70.8
69.36403	3.3
69.36813	1.3
70.06606	1.0
71.01361	1.3
73.02921	2.2
75.04487	1.1
81.03426	2.9
85.02916	53.7
87.04480	52.0
87.05035	1.0
91.03973	1.1
91.05472	0.8
97.02905	57.0
98.06069	0.7
98.09697	1.3
98.21562	1.3
99.04472	2.2
103.03948	1.0
104.77945	0.6
105.07044	6.1
109.02915	3.0
110.98044	0.6
115.03945	91.1
123.04487	0.9
124.05236	8.9
127.03938	6.3
129.07042	0.8
133.04980	100.0
133.06404	5.0
134.05231	0.7
136.07596	0.7
137.04393	0.6
137.05997	15.2
139.03944	1.0
144.06573	2.4
145.04984	11.3
145.06284	1.0
145.06493	1.0
150.07654	12.3
151.03926	1.0
157.06520	0.9
161.04468	0.8
161.05971	0.6
161.09613	0.9
162.07669	1.7
163.06041	2.0
165.09140	37.8
169.04961	1.9
175.06175	0.8
177.09100	1.8
180.08632	2.1
187.06001	1.0
189.09131	4.0
201.09184	3.5
203.10687	0.6
205.07010	0.8
205.08781	0.9
207.10201	2.8
215.10817	1.0
223.06078	1.4
231.10245	2.2
241.07076	3.6
243.10196	3.3
259.08173	4.7
261.11267	1.8
277.09134	2.7
295.10123	1.0
384.12164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
54.50910	0.6
55.05512	6.0
57.07077	5.0
64.15044	0.6
67.05181	1.1
67.05511	12.3
69.03423	1.0
69.06738	0.8
69.07076	11.3
69.34498	4.0
69.34905	1.1
71.08636	1.2
76.45592	0.7
79.05505	7.3
81.07062	32.3
83.04979	1.6
83.08626	6.6
85.06546	2.5
91.05492	5.3
93.04411	0.6
93.06499	0.7
93.07058	14.1
95.04951	1.2
95.08614	39.0
97.06529	2.6
97.10165	2.9
101.06040	1.4
103.61036	0.6
105.07036	10.1
107.08602	30.3
109.10165	25.8
109.10719	0.5
109.10921	0.8
111.08086	2.1
111.11726	1.9
117.07043	0.8
119.08607	7.8
121.10151	15.0
123.08060	0.8
123.11728	8.7
125.09635	29.1
125.13307	0.8
127.11150	1.0
131.08557	2.0
133.10153	7.7
135.11700	9.0
136.00348	0.7
137.13261	18.0
139.66402	0.6
140.95799	0.6
143.07034	2.1
143.08469	0.6
143.10680	2.6
145.10120	3.2
147.11676	6.7
149.13266	17.7
151.11189	0.8
151.14825	4.0
153.09091	5.8
157.10146	0.9
157.57440	0.6
159.11722	2.6
161.13269	3.9
163.11183	1.1
163.14821	5.8
171.10178	100.0
173.13289	3.2
175.14854	4.5
177.16396	4.2
179.17953	0.9
185.13278	0.9
187.14850	1.9
189.16426	5.1
190.95898	0.6
191.17970	4.6
195.91452	0.6
197.11743	1.9
199.14842	0.8
201.16394	2.0
203.18028	4.1
205.19547	5.9
211.13347	0.7
217.19460	3.6
220.16951	0.6
227.17993	1.1
231.21118	2.0
235.16925	0.9
238.18069	1.9
243.20874	0.7
250.06190	0.8
251.04623	5.1
251.16351	0.7
253.18048	0.9
257.22687	1.0
261.18509	0.8
279.19504	0.8
285.25827	0.8
286.24768	0.9
287.24496	0.8
287.27298	5.0
289.21906	0.8
306.12280	0.8
307.10776	1.2
315.23227	0.7
329.28345	3.9
363.16730	3.1
369.31607	1.7
387.32520	2.3
411.36319	1.6
413.34109	2.6
419.24448	2.0
431.35229	2.4
439.35663	5.8
457.36905	11.0
475.38315	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	476.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82614	0.8
53.03943	2.1
53.12872	0.8
55.01876	9.6
56.30656	0.7
57.03442	18.4
59.04992	2.3
60.04512	1.2
61.02931	18.5
69.03432	31.4
69.28130	7.3
70.06599	5.2
71.01353	4.4
71.04993	2.6
73.02920	100.0
81.03405	5.5
83.01345	0.9
85.02907	80.9
86.09687	1.5
87.04478	6.3
91.03980	3.9
91.05478	1.0
96.04514	1.0
97.02896	60.1
98.09692	5.4
99.04448	3.7
103.03941	2.1
105.07030	9.4
109.02870	6.6
110.07151	1.5
115.03931	33.7
119.30047	0.9
124.05216	12.7
127.02972	1.5
127.03921	27.4
132.06528	1.1
133.04971	43.0
133.06444	7.4
135.06558	1.0
137.05984	12.0
138.05522	0.9
140.14301	1.2
144.06569	3.0
145.04964	39.8
147.04417	2.8
150.07622	4.2
154.88739	0.8
157.05022	0.8
162.07602	2.1
163.06029	14.9
165.09125	39.6
173.05977	2.9
175.14627	0.9
177.09091	1.1
180.08659	2.7
187.07523	2.9
189.09062	1.6
193.05048	1.8
199.05963	1.1
201.09102	2.3
211.06055	1.5
215.10672	1.1
217.07072	2.4
223.05984	7.9
231.10107	1.5
241.07080	7.3
243.10202	4.1
247.97171	0.8
251.11815	1.0
259.08157	10.5
261.11194	4.3
276.10748	1.2
277.09210	3.4
279.11536	2.6
294.11877	1.1
295.10321	2.6
307.10855	4.2
458.66666	1.1
476.18167	2.1
476.25238	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	475.3784
Annotation	CHEBI:67963
Peak:m/z	Relative Intensity
53.03936	0.9
55.05507	6.8
57.07060	2.3
67.05507	10.0
69.03442	1.4
69.07069	9.7
71.04977	2.0
71.08642	0.9
78.79264	0.6
79.05493	3.8
81.06596	1.2
81.07058	22.0
83.04982	1.2
83.08620	6.8
85.06522	1.6
91.05472	2.4
91.70252	0.6
93.07045	9.2
95.04946	0.7
95.08608	33.9
97.06509	0.8
97.10159	2.5
99.08076	1.5
101.06010	1.2
105.07037	5.2
107.08591	28.8
109.06546	0.7
109.10160	28.1
111.08048	1.3
111.11720	2.9
113.09633	3.7
119.08561	3.9
121.06375	0.8
121.10153	12.7
123.08076	1.6
123.11703	9.5
125.09633	30.0
131.08546	1.3
132.12051	0.7
133.10136	4.8
135.11697	10.1
137.13242	8.7
141.09071	2.9
143.10695	2.9
145.10117	1.6
147.11716	3.1
149.13263	7.1
151.11160	0.8
151.14845	1.8
153.09114	6.7
157.10033	0.7
159.11652	1.3
161.06372	0.6
161.13245	3.7
163.14833	5.5
171.10168	100.0
173.13260	1.4
175.14842	1.4
177.16385	2.9
187.14735	1.3
188.73134	0.6
189.16364	2.2
191.17963	4.1
197.11829	0.9
197.15349	1.2
201.16382	0.9
203.17993	1.7
205.19521	6.7
215.17950	0.6
217.19539	2.8
219.21033	1.0
231.21138	1.2
238.18048	2.2
239.16389	0.8
251.04694	2.4
273.25842	3.1
287.27377	2.8
307.10953	1.1
329.28253	0.9
363.17163	2.0
369.31830	0.8
387.32791	1.2
411.36316	3.2
421.34390	1.3
428.97803	0.7
439.35757	13.3
457.36819	10.1
475.38028	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	475.342
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
52.23754	1.3
53.03947	2.7
55.01874	2.8
55.05519	12.0
57.03431	4.1
57.07071	3.0
62.28146	1.2
62.70351	1.5
67.05181	2.3
67.05510	30.7
69.07069	10.5
71.05001	1.5
79.05503	18.0
81.07063	24.5
83.08628	8.2
89.98408	1.6
91.05478	16.7
92.15874	1.4
93.07056	22.5
95.04980	3.3
95.08617	42.4
97.06558	3.2
97.10168	3.2
101.12521	1.5
105.07039	18.8
105.89156	1.3
107.08596	11.4
109.10185	6.8
111.08133	2.3
116.02203	1.4
117.07024	9.0
119.08588	20.7
121.10147	11.4
123.08060	2.0
123.11721	1.3
125.09596	3.3
129.07001	4.8
131.08594	14.3
133.10161	15.3
135.08089	1.7
135.11728	6.2
141.07059	1.7
143.08591	4.9
145.10121	13.3
147.11694	13.1
149.13249	4.7
157.10146	6.3
159.10327	2.7
159.11734	12.6
161.13283	5.7
163.14844	1.7
169.10141	3.5
171.11667	9.6
173.13330	6.4
177.05542	2.0
183.11740	4.1
185.13275	6.2
187.14841	3.2
197.13321	1.9
199.13246	2.0
199.14877	3.1
203.14384	1.6
211.14825	2.4
213.16504	2.4
238.18134	3.3
239.18018	1.5
247.16772	1.6
261.22290	2.2
271.20609	2.5
285.22189	3.6
316.64890	1.4
329.73651	1.4
363.25177	2.1
365.28577	8.5
377.27032	2.0
383.29483	16.7
401.30447	4.1
457.33276	15.6
475.34338	100.0
496.41534	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
54.03468	0.2
55.01848	0.8
55.05514	3.4
56.05039	3.3
56.63087	0.2
57.03418	0.5
57.05794	0.2
57.07060	0.2
58.06604	1.4
58.06825	0.3
60.04524	1.2
61.01131	0.3
61.02916	0.4
67.05505	3.1
68.05004	1.1
69.03405	0.8
69.07066	4.1
69.56705	1.3
70.02937	0.6
70.06595	19.2
71.04991	1.8
71.06902	0.9
72.08160	6.9
73.02876	0.4
73.08469	0.3
74.06083	3.4
79.05496	3.1
80.05022	1.1
81.03431	0.5
81.05788	0.4
81.06667	0.2
81.07062	2.9
82.06578	1.9
83.04983	0.4
83.06076	0.5
83.08600	0.7
84.04510	3.8
84.08147	16.2
85.02906	2.3
85.06518	0.4
85.08453	1.0
86.06044	0.9
86.09708	24.5
87.05579	0.8
87.10036	1.3
87.10488	0.3
88.04007	1.2
89.06006	0.4
91.05491	2.6
93.04519	0.5
93.05797	0.3
93.07066	2.6
94.06042	0.3
94.06575	3.2
95.04942	0.4
95.06033	0.6
95.07347	0.6
95.08609	1.7
96.04471	0.6
96.08131	5.8
97.02869	0.6
97.06503	0.5
97.10143	0.7
98.06032	0.9
98.09695	8.8
98.20804	0.2
99.05585	0.3
99.10006	1.0
101.07125	0.8
102.05526	1.4
103.05422	0.4
105.07004	1.5
106.06531	0.3
107.04923	0.5
107.07320	1.7
107.08580	2.2
108.08120	6.1
109.02863	0.5
109.06509	0.4
109.08894	0.9
109.10145	0.6
110.06027	0.5
110.07182	2.9
110.09676	2.0
111.05566	0.4
111.09212	0.6
112.08733	0.6
113.07142	0.4
114.05515	0.7
115.03920	0.4
115.08675	0.5
116.07066	1.0
117.07075	0.4
119.04915	0.7
119.08549	1.0
120.06612	0.6
120.08108	6.3
121.02859	0.6
121.06484	0.9
121.10155	0.5
122.06048	0.4
122.07147	0.3
122.09673	3.6
123.08069	0.4
123.10422	0.8
124.03938	0.2
124.07563	0.5
124.11247	1.4
126.05461	0.3
127.03938	0.5
127.08630	0.4
129.07010	0.4
129.10248	8.7
130.04973	0.7
130.06502	0.5
130.10545	0.6
131.04953	0.4
132.04424	0.3
132.08113	0.5
132.10213	0.8
133.08627	0.3
133.10100	0.8
134.09634	0.8
135.08014	0.3
135.09050	0.2
135.11690	0.4
136.06186	1.8
136.07571	1.2
136.11212	0.7
137.06003	0.3
138.09132	0.8
140.10693	0.3
140.14334	3.6
141.06601	0.3
141.10205	0.5
141.14682	0.5
142.08615	0.5
143.08240	0.3
143.11787	0.6
144.08072	0.4
145.04965	0.4
145.06190	0.3
145.10080	0.5
146.05989	0.3
147.04370	0.8
147.11490	0.2
148.06047	0.5
148.11201	0.6
149.06009	0.3
151.03938	0.3
151.11121	0.3
152.10640	0.3
155.08167	0.6
156.10181	0.4
157.13409	0.3
158.06027	0.4
158.15340	0.8
159.11537	0.3
161.09239	0.9
162.05434	0.3
162.09129	0.3
164.07062	0.3
166.08658	1.4
170.11679	0.5
171.07753	0.3
173.12901	0.9
174.12772	0.5
176.14340	0.4
178.06136	0.3
183.14897	0.4
185.13200	0.3
186.12320	0.6
187.10776	0.9
187.14339	0.5
189.08755	0.5
190.15959	0.4
192.13786	0.6
192.17458	1.0
197.12845	0.3
197.16534	0.4
201.12335	3.4
202.15916	0.9
212.10294	0.4
215.10303	0.6
215.13901	0.4
218.15387	2.4
220.16971	29.1
221.17216	0.5
222.15042	0.2
222.18556	2.9
226.15511	0.6
227.03423	0.3
229.11830	2.4
229.15419	0.3
230.07631	0.3
236.16423	1.9
238.18019	64.8
239.18376	1.0
240.17102	0.6
240.19569	9.9
243.13452	0.8
247.10692	0.3
247.13046	1.5
256.16550	0.4
256.19104	3.9
259.11130	0.3
261.14499	0.4
263.10495	0.2
266.10138	0.3
285.10910	1.4
293.15216	0.3
294.05142	0.4
300.10724	0.5
304.19046	0.4
307.06064	0.4
309.07700	0.3
319.05887	0.2
324.05917	0.4
325.07101	0.6
337.07053	1.5
342.20261	0.4
345.07642	0.3
355.08224	0.8
366.73663	0.3
367.08176	1.0
379.08267	0.6
385.09058	0.4
391.08252	0.4
401.72418	0.5
402.22452	0.3
409.09164	0.5
415.21707	0.3
418.72601	0.3
439.10413	0.9
450.25034	0.3
451.24957	0.4
457.11484	1.2
457.22638	0.3
457.34293	0.5
474.75833	1.1
475.11087	1.2
475.25626	6.8
475.35321	100.0
476.25079	0.3
476.35583	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	475.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01860	2.4
55.05507	5.8
57.03424	1.6
58.64368	1.1
61.02917	1.4
67.05514	8.1
69.03434	9.8
69.07065	8.6
70.06580	8.3
71.05005	11.1
71.48087	1.8
72.08154	2.6
79.05502	9.1
81.03425	7.0
81.07052	12.6
81.52395	1.3
83.04990	5.7
83.08617	4.7
84.08136	3.9
85.02910	9.6
85.06557	3.2
86.09702	5.4
87.00825	4.6
91.05466	5.1
93.07037	10.5
95.04960	3.2
95.08602	11.4
97.02905	4.4
97.06541	3.2
97.10166	5.6
98.09689	4.6
99.04443	5.2
99.08076	1.4
105.01884	3.0
105.07019	5.3
107.04946	2.3
107.08603	30.8
109.02876	4.5
109.06516	4.6
109.10143	12.7
110.07174	2.2
111.08086	5.2
113.31152	1.3
115.07591	2.6
119.08593	3.5
120.08154	2.4
121.06470	4.4
121.10154	9.4
123.08040	2.9
123.11739	3.6
125.09632	13.3
127.03925	8.4
129.09109	1.8
129.10107	1.6
131.08591	3.2
133.10158	6.5
135.08069	7.6
135.11670	2.7
136.07628	2.0
137.09595	3.3
140.14346	1.8
143.10672	1.4
145.04967	3.1
145.10066	2.0
147.04373	1.8
147.11688	5.8
149.09634	4.4
149.13260	5.5
151.11186	7.8
153.09113	5.4
159.02808	2.1
163.14833	9.5
165.12750	1.9
167.10721	1.6
169.12224	4.9
173.13264	13.0
191.14310	24.1
193.18074	1.3
209.15369	31.6
211.11223	1.2
227.16425	100.0
311.67825	1.2
349.80643	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47470	1.0
53.03940	1.2
55.01860	3.4
55.05511	11.7
55.62287	1.1
56.05030	9.2
57.03445	6.6
57.05816	2.5
58.06579	2.5
60.04513	7.7
60.05637	2.7
61.02899	2.2
67.05489	2.4
68.05034	9.2
68.15010	1.3
68.99806	1.1
69.03429	7.3
69.05355	1.1
69.07056	4.4
70.02946	2.8
70.06593	59.5
71.01356	2.5
71.04980	1.9
71.06924	2.8
71.52059	1.7
72.08155	100.0
73.02908	4.4
74.06070	6.9
75.05624	1.8
77.31723	1.1
78.53712	1.2
81.03405	1.2
82.06538	2.2
83.04964	1.2
83.06096	4.6
84.04503	27.5
84.08144	80.0
85.02898	10.0
85.06542	1.4
85.08472	3.2
86.03271	1.4
86.06062	20.0
86.09705	76.1
87.04465	1.5
87.05569	5.5
87.06414	1.4
87.09392	1.0
87.10031	2.3
88.03985	4.9
91.05499	7.0
93.06993	2.0
94.06556	1.3
95.01289	1.0
95.06066	1.3
96.04489	3.7
96.08115	1.8
96.18742	1.0
97.02897	5.8
97.07658	1.5
98.02433	2.2
98.06029	2.4
98.09677	5.4
99.10108	1.0
101.07152	5.9
101.07678	1.0
102.05539	5.9
103.05441	2.2
103.55272	1.0
107.04939	2.1
110.06033	2.1
110.07168	8.4
110.09688	2.3
112.08710	4.9
113.07137	4.1
114.05517	4.8
115.03941	3.5
115.05022	1.4
115.08688	2.1
116.07067	1.8
117.10246	2.5
119.04930	5.1
120.08114	14.2
121.02901	1.3
121.06486	3.5
121.08446	2.1
122.06055	1.1
124.07587	2.8
127.03916	2.9
127.08655	4.3
127.09614	1.0
129.06601	3.5
129.10243	32.6
130.04994	12.5
130.08566	1.2
131.11787	2.3
132.08096	1.4
132.10213	2.0
133.04974	4.1
134.04459	2.0
134.05951	2.5
136.03807	1.0
136.06125	1.3
136.06587	1.4
136.07585	14.2
137.05957	3.3
137.06958	1.6
138.06630	3.2
138.09120	3.1
139.08655	2.8
140.14291	3.8
141.10216	5.0
142.08582	1.5
143.11790	7.4
146.05919	1.4
147.04453	7.9
147.07646	11.8
147.11234	1.5
148.04996	1.5
148.06001	6.3
150.05498	1.7
155.08153	1.7
155.11775	4.1
157.09698	1.4
159.11272	2.2
166.08621	2.0
168.06621	1.5
169.01326	2.1
169.09715	4.7
171.11263	3.4
173.09193	1.8
174.09100	1.5
182.08047	3.2
182.12869	1.9
183.11292	6.8
185.12619	1.2
186.12343	3.5
187.07123	2.6
187.10738	5.9
196.14536	2.1
197.09233	3.3
197.12897	2.6
199.14493	1.4
200.13963	6.0
201.03955	2.1
201.12277	7.6
203.10356	1.4
205.08211	1.3
208.09753	1.4
211.10815	3.0
214.11859	21.1
214.15291	1.1
215.10231	4.6
217.11942	1.2
224.13931	1.2
227.10263	1.5
228.13396	9.4
229.11853	9.1
230.11287	3.2
230.15482	1.5
233.11298	1.4
242.14989	4.6
245.11404	2.5
246.11685	1.9
246.14474	3.9
247.12817	3.6
248.12590	1.7
256.16519	1.4
260.16016	5.2
261.14429	14.7
270.18127	2.2
282.17999	2.3
299.20795	2.1
304.59525	1.4
310.17831	1.6
327.20166	8.9
337.07166	2.7
355.08157	1.2
365.30130	1.1
365.71460	2.0
366.21719	1.3
375.18951	1.7
377.12582	1.4
391.15985	1.6
413.24475	3.6
414.23108	1.4
432.21921	1.5
456.24255	2.4
457.15640	1.2
474.18680	5.8
474.29962	9.5
485.84439	2.0
489.24774	3.3
489.44736	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	473.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01862	2.4
55.05508	3.2
57.03428	2.1
59.04987	1.2
61.02928	5.9
65.03934	0.9
67.05502	2.9
68.05039	0.8
69.03439	9.5
69.07072	7.0
69.29411	2.7
69.29834	2.3
70.06599	8.9
71.04672	0.7
71.05004	9.2
72.08161	14.6
73.02901	2.1
73.06576	0.7
79.05497	4.0
81.03418	5.8
81.07058	6.5
83.04985	3.4
83.08625	0.6
84.04489	2.9
84.08150	4.9
85.02438	1.0
85.02911	14.3
85.06546	1.1
86.06036	1.5
86.09711	11.9
87.00838	4.1
87.04462	1.6
91.05495	3.2
93.07053	9.7
95.04950	1.8
95.08614	6.3
97.02900	4.5
97.06551	3.6
98.09706	3.4
99.04449	3.1
101.06050	0.8
102.05537	1.6
102.66008	0.7
105.01871	2.5
105.07037	9.9
107.08591	6.7
109.02895	4.4
109.06521	7.9
109.10137	2.3
110.07182	1.6
111.08080	1.8
115.03922	1.0
115.07576	8.4
117.07015	1.3
119.08588	8.7
120.08142	0.9
121.06476	2.0
121.10144	7.0
122.07267	0.9
123.08101	4.7
123.11700	1.6
125.29187	0.6
126.12945	0.6
127.03929	6.4
128.06218	0.6
129.01883	0.8
129.10222	1.9
131.08578	2.1
133.04999	0.7
133.06482	1.5
133.10158	5.6
135.08066	2.3
135.11688	2.7
136.07611	1.2
137.09619	10.6
139.11115	0.7
140.14320	2.1
141.09108	0.8
143.08577	1.0
145.04987	2.9
145.10112	3.5
147.08049	2.5
147.11688	10.1
149.09619	10.2
151.07530	3.5
151.11194	12.7
156.09355	2.0
159.02939	2.1
159.08057	1.0
159.11705	1.8
161.09615	2.8
161.13255	8.0
163.11195	3.8
165.09160	0.9
165.12718	3.0
167.10710	1.3
171.11688	2.5
174.10432	4.6
177.12784	3.1
189.12755	14.2
191.10622	0.7
197.12897	1.5
207.11914	1.2
207.13803	16.2
215.13951	4.3
225.14864	100.0
226.15311	1.4
231.04980	1.5
231.17101	3.0
232.29788	0.6
243.13484	4.2
294.81790	0.6
311.14914	0.7
324.19034	1.2
375.11804	1.0
473.21432	16.8
473.27878	1.0
473.93341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1919
Annotation	Kopsimaline E
Peak:m/z	Relative Intensity
50.88937	0.4
53.03942	0.6
55.05503	0.7
58.82654	0.4
67.05487	1.2
69.93976	2.2
70.06579	1.3
71.04980	0.5
79.05494	1.0
81.07061	0.9
83.08609	0.5
84.08147	1.2
85.02885	0.9
90.98631	0.4
91.05467	2.2
93.07066	2.0
94.06566	1.4
95.04935	0.5
95.08635	0.8
97.02895	0.6
98.09681	1.6
103.05511	0.6
105.07025	1.7
105.43876	0.4
106.06548	1.0
107.07344	8.4
107.08545	0.8
109.10152	1.2
119.08591	0.8
120.08060	0.8
121.06512	6.4
121.10151	0.5
122.09669	100.0
123.10009	0.6
131.08588	0.4
133.10146	0.8
133.26765	0.4
136.07594	1.4
140.14386	0.5
146.06041	0.5
146.42851	0.5
147.11690	0.5
148.11133	0.5
150.09148	3.1
151.07643	0.4
160.07814	0.5
165.09164	0.5
175.08749	0.8
175.12299	0.7
176.10735	2.0
190.12057	0.4
204.10249	1.0
204.12602	1.2
238.07010	0.7
295.80426	0.4
334.14743	0.6
337.30795	0.4
379.16599	1.2
395.15875	0.6
413.17111	12.7
423.09888	0.4
423.15491	10.3
425.38388	0.5
441.16599	50.6
442.16690	0.6
445.19830	1.9
446.25293	0.7
455.18372	1.3
455.25470	0.5
473.19180	2.1
473.25623	1.3
498.44656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
54.21547	2.0
55.01872	3.2
55.05272	3.2
55.05514	38.9
57.03434	7.3
57.07061	9.4
59.04971	2.5
61.02920	2.9
64.56656	2.1
65.03925	2.5
67.05507	32.3
69.03432	12.4
69.07069	50.1
70.06593	26.9
71.04990	5.6
71.08639	3.1
72.08147	5.4
73.02930	2.8
79.05495	13.1
81.03433	12.7
81.07056	70.9
83.04984	47.5
83.08620	21.1
84.04504	3.2
84.08134	17.5
85.02898	20.5
85.06526	8.2
86.06057	2.4
86.09700	18.3
87.04448	2.2
91.05486	11.3
93.07041	26.1
95.04979	13.0
95.07990	3.7
95.08605	63.1
97.02888	8.8
97.06517	7.3
97.10157	13.1
98.09695	7.5
99.04439	3.5
99.08084	4.3
104.21943	2.1
105.07022	17.5
107.08597	34.0
109.02861	5.8
109.06506	8.0
109.09474	3.6
109.10166	45.9
110.07148	5.1
111.08102	23.9
111.11724	4.7
119.08585	19.4
120.08103	4.7
121.06489	8.2
121.10136	22.6
122.09693	3.4
123.08076	5.9
123.11694	23.8
125.09633	14.8
127.03886	8.9
129.10265	5.4
130.04988	6.4
131.08525	4.7
133.10126	10.3
135.08047	4.3
135.11710	17.2
136.06195	2.8
136.07561	3.4
137.05981	2.7
137.09598	17.0
137.13266	38.9
139.07483	3.7
139.11172	7.6
140.14314	2.5
143.08707	2.9
145.05029	2.8
145.10107	5.7
147.04401	5.3
147.08066	2.6
147.11659	7.8
149.09630	7.1
149.13297	11.3
151.11153	3.7
151.14827	5.4
153.12753	8.4
157.10054	3.3
159.07970	2.6
159.11722	3.0
161.11993	2.3
161.13269	7.1
163.11191	2.3
163.14789	10.4
165.09117	54.8
165.12776	4.5
173.13155	3.3
174.14822	2.4
175.14893	4.2
177.09013	2.2
177.16319	4.6
179.14279	2.2
189.16415	4.7
191.14244	2.6
191.17903	4.1
193.19495	8.8
195.89909	2.1
203.10675	3.1
203.18037	4.9
205.12177	5.0
209.19012	3.6
217.19481	5.5
223.16957	3.9
223.20609	2.4
273.25830	13.1
291.26831	100.0
333.08011	11.4
335.09360	3.8
453.29877	2.4
471.21744	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69411	3.7
55.05516	26.5
57.03440	10.0
57.07074	10.0
59.05006	6.0
61.02928	7.6
67.05514	35.6
69.03441	24.7
69.07066	35.0
69.30112	35.1
70.06593	7.1
71.04998	5.2
71.08646	5.2
72.08170	5.4
79.05498	27.1
81.07068	100.0
83.04992	4.4
83.08634	15.1
83.84784	3.6
85.02913	48.2
85.06550	15.1
86.09719	5.5
87.63527	3.7
88.83907	3.5
91.05483	19.7
93.07054	41.6
95.04986	7.2
95.08608	83.4
97.02895	16.7
97.06547	18.1
97.10174	13.5
99.08093	6.5
105.07045	23.0
107.08594	53.2
107.40583	3.9
109.06584	6.1
109.09476	6.6
109.10172	68.8
111.08122	5.4
111.11774	5.1
112.00211	3.9
112.98064	3.6
113.09654	6.7
113.41978	5.0
117.15107	3.8
119.08574	23.2
121.06509	7.4
121.09211	4.0
121.10133	28.5
123.08112	4.5
123.11729	47.0
125.09640	13.8
127.03925	8.4
131.08644	7.3
133.10139	14.0
135.11694	30.2
137.09666	4.7
137.13255	21.1
139.11235	6.4
145.04982	5.7
145.10088	9.5
147.11720	19.0
149.13257	16.6
151.11157	5.6
151.14874	14.8
155.10672	7.0
157.10150	6.0
159.11763	5.5
161.13290	13.5
163.14836	28.1
165.12711	5.3
165.16376	10.3
167.14302	4.9
173.13280	6.0
175.14865	7.7
177.16451	13.4
181.15971	8.4
185.13374	4.8
189.16370	6.4
191.17938	15.4
203.18002	9.9
217.19611	6.7
235.20493	6.1
247.24294	10.0
273.25934	14.7
291.26877	15.9
309.27963	13.7
330.30527	4.1
387.96329	4.6
417.29993	4.2
435.30960	6.6
444.66302	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	470.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70615	0.4
55.01871	1.0
55.05517	2.5
56.05040	5.8
57.03446	3.6
58.06599	0.5
60.04524	0.9
60.05643	1.1
61.02925	0.4
67.05508	6.2
68.05033	3.0
69.03431	1.7
69.07085	0.6
69.56738	1.9
69.73167	0.3
70.02921	0.4
70.06210	0.9
70.06593	16.2
71.01349	0.8
71.04997	13.7
71.06931	0.4
72.08153	4.1
73.02925	1.4
74.04077	0.4
74.06098	2.1
79.05498	0.5
81.07063	0.9
82.06578	1.2
83.04980	0.9
83.06119	0.7
84.04505	3.9
84.08145	100.0
85.02906	15.3
85.08494	0.6
86.06068	5.2
86.09713	5.9
87.04480	0.8
87.05605	0.6
87.06395	0.5
88.04015	0.4
91.05485	1.0
96.04520	0.8
96.08136	1.1
97.02892	1.1
97.08928	1.0
98.06117	0.4
98.09698	6.2
99.04451	0.4
99.10044	0.7
101.07185	0.8
102.05549	1.0
105.07055	0.6
107.04957	4.4
109.10136	2.3
110.06052	0.4
110.07178	4.0
110.09715	0.5
111.09231	0.4
112.08735	1.2
113.40286	0.4
114.05540	0.7
115.03913	0.7
115.08700	0.8
119.04955	1.4
119.28644	0.3
120.08099	3.2
122.06038	0.6
124.07524	0.4
124.11221	3.3
126.12796	56.3
127.08724	0.5
129.05498	1.1
129.10248	5.9
130.05016	0.8
130.08717	0.4
131.08194	0.6
132.06598	0.6
133.05025	0.6
134.06030	0.4
135.04480	0.8
136.06154	0.4
136.07594	2.7
137.07123	0.6
138.05530	0.5
140.14354	0.6
144.13838	14.1
145.06342	0.5
147.04416	2.1
148.04816	0.5
152.06914	0.4
155.08229	0.5
159.07603	0.8
162.09212	0.4
163.03981	0.5
166.08659	1.4
177.05431	0.8
183.14883	0.5
187.08942	0.4
187.10799	1.0
190.08658	0.5
202.14442	0.4
218.34268	0.4
222.07472	0.4
223.10886	0.5
225.17137	0.4
229.09807	0.6
244.16588	0.6
245.11374	0.8
255.11357	0.4
306.16989	24.0
324.18237	1.1
420.12445	1.4
452.22806	52.5
453.23315	0.9
470.16934	2.4
470.23822	31.4
471.24295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41940	0.3
52.69370	0.3
55.01876	1.5
55.05513	2.4
56.05037	5.7
57.03436	3.2
58.06594	0.6
59.05019	0.4
60.04523	1.3
60.05653	0.7
61.02930	0.8
62.82986	0.4
67.05508	6.0
68.05032	2.9
69.03442	2.1
69.07066	0.4
70.02943	0.9
70.06202	0.7
70.06593	14.4
71.01352	0.7
71.04993	13.6
71.52186	0.4
72.08150	3.6
73.02917	1.3
74.06078	2.0
75.04483	0.7
79.05490	0.8
81.03455	0.8
81.07063	1.6
82.06583	1.0
83.04959	0.6
83.06094	0.6
84.04501	4.1
84.08146	100.0
85.02908	15.1
85.04794	0.4
85.08483	1.1
86.06065	4.7
86.09702	5.3
87.04475	1.1
87.05621	0.5
88.03992	0.6
91.05490	1.4
95.04983	0.7
95.06104	0.5
96.04528	0.4
96.08131	0.6
97.02880	1.1
97.06521	0.5
97.08922	0.8
98.06045	0.5
98.09699	4.7
101.07134	0.8
102.05538	0.7
107.04965	3.3
109.06577	0.4
109.10150	2.3
110.06026	0.5
110.07175	2.9
111.04462	0.8
112.08723	1.2
112.91796	0.3
114.05514	0.6
115.03945	0.6
116.07124	0.5
119.04943	0.9
120.08115	2.9
121.06519	0.5
122.06060	0.5
124.07600	0.4
124.11230	4.2
126.12796	58.1
127.03906	0.4
127.08691	0.4
127.13253	0.3
129.05499	1.4
129.10234	4.5
130.04984	0.9
130.08681	0.7
130.10538	0.7
131.08235	0.5
133.05022	0.9
135.04424	1.2
136.07603	2.7
138.06569	0.7
139.08586	0.5
140.14354	0.6
141.10233	0.4
144.13838	15.4
146.06071	0.4
147.04382	1.8
147.07657	0.6
147.11328	0.6
155.08191	0.8
156.07640	0.5
159.07698	1.0
163.03937	0.6
163.08626	0.4
166.08653	2.5
173.09250	0.5
176.07188	0.4
177.05467	0.6
177.10266	0.4
177.25334	0.4
186.09108	0.4
187.07515	0.4
187.10751	0.4
187.96207	0.4
223.10815	0.5
229.09834	0.5
235.15356	0.3
244.13138	0.4
245.11102	0.4
260.20096	0.4
289.84149	0.4
300.15546	0.4
306.17001	21.6
308.11038	0.4
324.15506	1.5
420.12585	1.3
425.88757	0.8
432.90125	0.4
438.13153	0.5
439.22412	0.5
442.31354	0.6
452.22815	49.7
453.23190	0.8
466.75253	0.6
470.16885	3.2
470.23807	33.6
471.18326	0.6
471.24374	0.5
494.26013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.6
53.29465	3.5
55.01865	7.6
55.05304	3.2
55.05516	31.7
56.05028	4.1
57.03431	14.7
57.07074	9.7
59.04983	5.2
61.02919	11.3
64.93365	3.5
67.05514	38.0
68.05025	6.9
69.03438	35.2
69.07076	35.6
69.85335	18.8
70.06598	34.6
71.04984	9.0
72.08148	11.3
73.02908	9.1
74.06111	5.8
79.05495	40.9
81.03423	25.0
81.07061	97.0
83.04992	6.4
83.08616	12.9
84.04500	6.0
84.08147	27.2
85.02911	100.0
85.06546	45.8
86.06051	9.8
86.09698	16.8
87.04477	7.6
91.03970	4.4
91.05489	28.0
93.07055	65.8
95.04974	12.4
95.08615	94.3
97.02903	28.3
97.06534	81.7
97.10172	8.0
98.09689	7.1
98.21557	4.5
99.04462	6.6
99.08108	7.9
105.07039	51.0
107.08601	59.6
109.02864	10.6
109.06512	6.4
109.10162	48.7
110.07162	9.8
111.08074	10.1
113.09645	9.5
115.86098	3.6
116.06161	4.6
117.07000	6.2
119.08583	45.2
120.08124	6.5
121.06506	12.6
121.10152	45.0
122.09641	3.9
123.04375	4.2
123.08091	8.9
123.11729	35.9
125.05955	6.6
125.09645	12.8
127.03925	28.2
129.06976	5.4
129.10211	4.7
131.08563	23.8
133.04984	4.7
133.10141	47.4
135.08017	4.8
135.11678	31.0
136.07561	8.4
137.09583	8.1
137.13266	12.1
139.11188	5.9
143.08546	5.9
145.04951	16.7
145.10112	22.9
147.11711	34.4
149.13268	30.6
150.09163	5.4
151.11137	10.1
153.12779	4.0
157.10080	5.5
158.15376	4.9
159.11705	15.9
161.13269	23.3
163.14810	53.0
165.12758	5.0
169.09987	3.9
173.13284	10.1
175.14833	13.3
177.16423	8.0
179.14359	9.4
187.14850	11.3
189.16389	50.2
190.77415	4.2
191.14375	4.7
201.16330	7.3
203.17953	10.0
207.17465	36.7
215.17990	11.1
225.18518	27.9
229.19679	6.1
245.11285	4.6
245.22719	6.2
251.20206	4.3
271.24280	7.8
289.25256	12.7
307.26218	8.8
342.32620	3.8
493.92343	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56805	5.7
53.03952	10.3
55.01874	9.3
55.05513	28.9
57.03432	14.5
57.07067	9.5
59.05008	11.0
61.02917	10.4
67.05515	50.2
68.05031	9.0
69.03430	36.8
69.07065	37.3
70.06585	50.9
71.04975	10.8
72.08157	18.5
73.02908	7.2
79.05501	36.5
81.03410	17.8
81.07066	100.0
83.04966	6.8
83.08614	15.8
84.04492	9.5
84.08150	40.3
85.02911	95.0
85.06543	37.2
86.06061	21.5
86.09702	14.5
87.56143	6.4
91.03986	6.3
91.05471	31.1
93.07048	41.3
95.04958	6.3
95.08609	95.8
97.02886	24.0
97.06530	78.4
97.10168	9.8
98.09663	9.6
99.04469	8.5
99.08128	6.4
105.07047	49.4
107.08604	64.3
109.02887	9.8
109.06533	9.7
109.10156	45.0
110.07152	12.0
113.09641	6.3
117.07079	6.6
117.41733	5.5
119.04974	6.8
119.08588	54.1
120.08093	12.5
121.06506	15.4
121.10136	45.1
122.09654	10.0
123.08059	15.0
123.11715	35.2
125.09595	12.2
127.03922	24.5
129.06911	9.2
131.08578	16.7
133.10153	48.6
135.08080	7.4
135.11687	24.5
136.07593	12.8
137.06020	8.5
137.09663	6.6
137.13240	7.1
141.12602	5.9
145.04964	16.5
145.10135	19.2
147.04428	7.8
147.11678	35.9
149.09581	7.8
149.13326	28.6
151.11101	9.2
157.10136	7.3
159.11716	16.5
161.13234	32.5
161.93974	6.7
163.14835	40.4
173.13268	13.3
175.07552	17.2
175.14883	13.4
177.16425	10.5
179.14255	8.2
189.16402	49.3
191.17947	7.6
201.16418	10.1
203.18054	14.5
207.17448	32.2
225.18512	29.5
245.22676	8.5
268.92108	7.9
289.25320	17.5
303.28189	7.1
307.26312	12.0
320.64377	7.1
325.02130	6.9
469.10626	9.2
469.23227	12.6
469.29437	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	469.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.2
55.01865	1.7
55.05506	1.2
57.03429	1.4
59.05002	0.6
69.03432	10.6
70.06592	0.9
71.04996	6.1
81.03423	23.9
81.25224	0.4
83.04982	4.2
84.08146	1.1
85.02900	1.9
86.09696	0.6
91.05457	0.7
99.04460	10.6
99.98457	0.5
103.03944	1.9
109.02882	10.1
115.17474	0.5
116.04895	0.5
117.05521	2.7
118.06527	2.3
120.85226	0.5
127.03906	2.8
145.07602	4.0
147.09174	8.8
162.07903	0.9
163.08696	1.0
173.07121	10.0
175.08687	10.7
190.07343	0.8
191.08159	100.0
192.08507	1.1
199.08636	0.7
203.08138	0.8
204.08913	0.6
205.09805	0.6
213.10262	0.9
217.93773	0.5
231.11166	1.1
233.09143	0.7
243.11237	0.8
271.10886	2.8
289.11865	7.5
301.13321	0.5
307.12897	36.3
325.13956	30.6
326.14279	0.8
331.12881	8.2
349.13968	7.2
371.15970	2.0
389.16995	4.2
391.14713	0.7
397.13983	4.4
407.18295	1.0
415.15002	12.5
416.15332	0.7
433.10464	0.9
433.16083	12.1
434.16449	1.1
451.17145	12.2
452.17715	0.7
469.24634	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.7
55.01868	9.7
55.05519	18.9
57.03426	9.3
57.07068	8.5
59.04992	3.7
61.02912	7.3
61.36870	2.2
65.03923	4.0
67.01905	2.4
67.05515	27.2
68.05019	2.8
68.99783	10.7
69.03090	3.2
69.03437	46.6
69.07082	25.3
69.86977	10.7
70.06602	12.2
70.39474	2.4
71.01343	4.0
71.04999	32.3
72.08163	4.9
73.02920	9.4
79.05498	26.5
80.90978	2.1
81.03426	37.7
81.07063	100.0
82.07393	8.4
83.04974	10.7
83.08619	11.9
84.08141	10.9
84.83411	2.3
85.02910	66.1
85.06552	4.2
86.03213	3.0
86.06098	5.3
86.09698	4.6
87.00845	22.0
91.03944	2.6
91.05490	29.7
93.07056	51.6
95.04984	15.0
95.08616	58.8
97.02899	29.8
97.06510	7.6
97.10155	8.0
97.38174	2.1
98.20839	2.8
99.04468	15.2
99.08087	6.8
103.03921	14.6
103.05422	2.8
105.01204	2.3
105.01859	8.9
105.07043	65.7
107.04961	8.6
107.08607	52.1
109.02884	20.4
109.06527	7.5
109.10167	56.7
109.10800	1.6
110.07173	3.4
111.04449	10.2
111.08087	3.9
111.11720	6.4
111.44090	2.2
113.09652	2.7
115.03959	11.8
115.05481	2.7
117.07037	11.7
119.04963	2.7
119.08595	62.7
120.08121	3.6
121.06559	12.2
121.10148	50.8
123.04465	12.8
123.08050	5.8
123.11719	29.1
125.06014	3.8
125.09623	7.2
127.03931	35.7
127.11194	28.2
128.06221	5.2
129.01840	10.6
129.07002	11.9
129.10228	3.0
130.07768	3.7
131.08589	26.2
131.43231	2.3
133.06459	5.6
133.10138	41.2
135.03006	2.4
135.04355	2.6
135.08061	5.6
135.11693	29.7
137.05975	3.0
137.09613	7.4
137.13234	10.9
138.13614	2.6
139.11153	5.9
141.05443	2.6
141.07021	4.9
142.07768	6.6
143.08551	20.1
144.09370	3.3
145.04950	15.6
145.06487	4.2
145.10139	42.5
147.02888	6.3
147.04286	2.6
147.08054	9.7
147.11703	31.5
149.05954	2.3
149.09665	5.1
149.13264	15.2
151.11183	5.7
153.12764	6.8
155.08562	10.3
156.09264	4.5
157.10136	28.0
159.02908	11.4
159.08093	5.3
159.11702	42.7
161.09605	6.4
161.13277	15.8
163.06013	4.8
163.07510	2.9
163.11183	7.8
163.14796	5.5
165.09149	2.7
165.12767	3.4
167.08414	3.2
169.10120	12.3
171.07976	4.7
171.11671	13.4
173.09636	8.0
173.13306	13.1
175.11215	6.2
175.14842	8.0
177.09138	2.7
177.12758	3.9
177.16408	3.9
181.10136	4.3
183.08054	3.1
183.11679	10.7
185.09615	6.4
185.13260	9.1
187.11133	4.1
187.14839	8.8
189.03914	3.7
189.09044	3.6
189.12704	6.5
189.16402	20.1
191.10699	3.8
191.14325	3.3
191.18022	3.6
193.19542	4.1
195.11720	3.8
197.13261	8.9
199.11371	2.8
199.14897	3.8
201.12663	5.8
201.16399	15.6
203.10696	3.1
203.17953	24.1
205.15887	4.2
205.19466	3.5
207.11676	6.6
213.12796	4.9
213.16383	5.9
215.17990	3.5
219.17432	11.0
221.19078	11.7
223.14833	3.5
225.12735	8.4
225.16364	4.5
227.14302	2.6
227.17964	6.9
231.04947	4.4
231.17516	4.3
233.19011	5.8
241.15871	3.1
243.13800	4.3
243.17473	4.3
245.18985	9.3
251.14355	3.3
257.19101	3.4
261.18390	4.1
263.19992	10.2
269.18994	5.0
287.20093	5.9
289.63406	2.3
293.19006	10.0
295.73212	2.5
305.21024	3.1
308.11899	2.8
311.20087	22.2
329.21158	12.9
347.22141	4.8
365.16342	2.7
415.21039	9.7
433.22061	11.5
451.23343	21.7
455.11185	2.9
469.18427	5.3
469.24512	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	468.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
54.63898	0.3
55.05510	0.9
56.05012	0.4
57.03431	1.8
58.06606	0.4
61.02923	0.4
67.05508	4.8
68.05022	0.6
69.07069	0.6
69.15578	2.2
69.15998	1.4
70.06596	9.7
71.01363	0.4
71.04998	10.4
72.08160	0.6
73.02924	0.7
75.04460	0.7
75.43870	0.4
79.05535	0.3
80.49633	0.3
81.07058	1.1
83.04978	0.8
83.07362	0.4
84.08143	3.2
85.02910	11.7
86.09759	0.4
87.04465	0.7
91.05480	1.3
91.37106	0.3
95.04997	0.4
96.08148	1.7
98.09698	100.0
99.10036	0.9
100.36549	0.3
107.04922	0.4
109.10177	1.4
110.09644	0.4
111.04431	0.6
111.10452	1.2
112.11256	1.0
119.04969	3.6
123.04480	1.8
129.05487	1.2
138.12822	3.0
140.14349	37.3
141.58180	0.4
143.00011	0.3
147.04420	30.9
148.04669	0.5
158.15414	14.6
165.05579	0.5
200.16533	1.1
217.04608	0.5
245.58612	0.4
304.19080	11.2
322.20175	1.5
323.78128	0.4
333.56805	0.4
422.64618	0.4
450.24905	29.9
468.25961	90.4
469.26355	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3087
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
55.05499	1.4
56.05014	0.8
57.07059	2.9
58.06604	1.0
60.07888	1.1
60.08165	17.6
60.87806	0.8
67.04175	0.7
67.05502	2.9
69.07063	1.3
70.06593	0.9
71.07387	5.1
71.08619	2.4
71.12451	1.2
77.03655	0.7
79.05486	1.5
81.07060	2.1
84.08115	0.8
86.09709	44.2
91.05470	0.8
93.07037	1.3
95.05009	0.8
95.08598	2.3
98.09720	1.2
98.98467	2.8
104.10747	100.0
105.07046	1.4
109.10183	1.5
119.08624	1.6
121.06493	0.9
125.00010	26.3
127.03934	1.3
128.92068	0.9
151.07629	0.9
161.13284	0.9
163.96826	0.7
170.54228	0.8
174.93922	0.8
184.07346	92.7
195.68623	0.8
267.53177	0.8
285.24365	2.1
286.00470	0.8
377.77512	0.7
450.29755	10.5
468.31009	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	468.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02388	0.4
55.05503	1.1
56.05036	0.5
57.03444	2.6
57.05801	0.3
60.35202	0.4
67.05509	4.1
68.05021	0.9
69.07063	0.7
69.54205	2.4
70.06213	0.5
70.06596	10.2
71.01366	0.5
71.04996	10.9
72.08144	1.0
75.04491	0.8
78.98284	0.4
81.07051	1.6
83.04956	0.5
83.07337	0.4
84.08150	5.3
85.02908	12.5
86.06111	0.6
86.09709	1.0
87.04443	0.6
91.05485	0.9
95.04982	0.4
96.08136	1.6
97.08922	0.4
98.09697	100.0
99.10017	0.9
102.05524	0.3
107.04971	0.5
109.10123	1.1
111.04482	0.9
111.10456	0.9
112.11258	1.1
119.04939	3.6
120.08079	0.5
123.04413	2.0
129.05476	1.7
129.10265	0.9
136.07581	0.8
138.12796	3.2
140.14348	37.4
147.04416	34.0
148.04749	0.5
156.13823	0.5
158.15414	15.4
200.16483	1.1
275.09174	0.7
304.19089	10.1
322.20135	1.5
356.08511	0.4
450.24905	29.1
468.25952	92.7
469.26294	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	467.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	12.1
57.03431	3.7
57.07079	39.1
59.04992	3.1
65.03934	2.5
67.05509	84.5
69.07081	9.0
71.05004	2.2
71.08634	23.1
79.05505	3.1
81.07060	24.6
83.08625	13.3
85.06550	1.8
85.10184	11.5
87.04440	1.2
89.06048	1.0
91.05479	5.9
93.07047	3.2
95.08609	22.9
97.10175	4.0
98.09702	1.1
98.21551	2.1
98.98468	8.4
107.08618	2.6
109.10162	66.2
111.08067	3.0
119.08614	4.9
123.11720	5.4
130.69907	1.0
134.32816	1.0
137.09608	2.4
137.13286	1.6
151.14854	1.3
155.01070	6.1
155.10712	3.0
160.09618	1.1
164.21053	1.0
167.29228	0.9
173.11739	20.3
195.53394	0.9
239.23674	8.5
310.75446	1.3
313.27365	23.8
410.64844	1.0
449.26498	2.2
464.12143	1.1
467.24484	3.5
467.37366	100.0
468.38422	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	468.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55053	0.3
53.03925	1.7
54.31110	0.3
55.01859	1.5
55.05499	0.6
55.80568	0.4
56.05030	1.4
57.03432	3.0
61.02929	4.0
67.05507	2.6
68.05018	0.9
69.03429	13.6
70.06602	2.1
70.95575	0.8
71.01331	0.5
71.04972	1.7
71.86139	0.4
73.02927	2.1
81.03413	5.2
84.08145	30.6
85.02907	35.1
85.06531	0.5
86.06053	1.7
87.04476	2.1
91.03954	1.8
92.42172	0.4
97.02892	12.3
98.09677	1.8
99.04478	2.3
105.65451	0.3
107.04922	0.4
109.02888	4.2
109.10143	1.0
115.03913	0.6
126.12795	19.8
127.03918	8.2
136.07558	0.9
144.13834	98.3
145.04967	5.2
145.14120	0.6
163.06047	0.5
174.53188	0.3
177.78371	0.4
212.12813	1.2
248.15034	0.9
285.04385	0.4
306.19095	2.0
392.19711	0.5
410.19785	1.8
468.24426	100.0
469.24719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64278	0.3
51.64535	0.2
56.74706	0.2
65.03948	0.8
67.05516	1.5
69.03415	0.4
69.07073	0.4
69.57883	0.3
69.72120	1.1
70.06594	3.1
71.04995	0.9
81.07039	0.3
83.47177	0.3
84.08146	0.5
85.02906	0.9
91.05486	6.5
91.81726	0.2
98.09695	37.5
99.09996	0.7
109.10142	0.6
111.10444	0.6
119.04947	23.4
129.07068	0.3
134.97575	0.3
140.14346	14.3
141.14690	0.5
141.28500	0.3
147.04413	100.0
148.04765	0.5
148.92688	0.3
158.15404	22.6
166.81258	0.3
168.34935	0.4
277.55399	0.3
278.78912	0.3
304.19064	0.9
319.69974	0.5
368.72775	0.3
392.72821	1.1
393.22720	0.5
465.75510	1.9
466.24396	70.0
467.24670	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01867	1.4
55.05516	0.5
57.03451	2.5
57.07076	1.6
61.02928	2.4
63.68622	0.4
65.03932	0.5
67.05514	4.4
69.03437	6.6
69.07064	2.1
70.04397	1.9
70.06598	0.7
71.01366	0.9
71.05006	0.8
73.02925	9.6
79.05502	7.4
79.99193	0.4
81.03420	1.3
81.07066	100.0
81.41972	0.4
84.08157	0.6
84.39597	0.4
85.02917	17.2
87.04491	0.7
91.03953	1.1
93.07063	1.1
95.08624	15.4
97.02902	11.0
98.09715	3.0
99.04446	0.7
99.10072	0.5
103.03990	0.5
107.08641	0.5
109.02898	1.4
109.10186	0.9
115.03948	5.2
123.20819	0.4
127.03932	6.8
133.04988	9.3
137.13272	22.6
140.14360	2.0
145.02989	0.4
145.04973	7.8
147.04462	0.7
150.07666	0.6
154.15947	1.0
157.05054	0.5
163.06055	5.1
177.05484	0.5
199.06079	0.6
217.07152	0.5
223.06122	2.3
241.07060	2.0
259.08182	3.8
259.92270	0.5
269.17685	0.7
277.09366	1.3
295.10211	2.9
373.57477	0.5
392.72952	1.3
455.27927	0.4
465.75687	1.0
466.25339	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	9.0
57.03430	1.7
57.07083	27.2
59.05008	2.4
64.79463	0.9
65.03939	1.3
67.05511	70.0
69.07068	8.3
70.46129	3.1
71.05000	2.5
71.08640	18.2
79.05492	1.6
81.07064	20.7
83.08620	11.0
85.06539	1.8
85.10197	11.5
89.06049	1.6
91.05479	4.0
93.07041	4.3
95.08617	18.6
96.96629	1.0
97.10178	3.7
107.08618	1.9
109.10165	59.1
111.08099	1.5
111.11700	1.4
119.08578	3.3
123.11727	5.2
133.08638	1.1
137.05966	1.6
137.09641	2.7
137.13306	2.0
144.58846	1.1
155.10693	3.0
170.22926	0.9
173.11760	22.4
175.07500	0.9
239.23708	7.4
431.35080	1.3
467.37390	100.0
468.37192	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	466.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.7
56.61310	0.3
60.52391	0.3
67.05491	1.2
70.06589	0.3
70.84728	0.8
71.04997	0.3
83.04942	0.5
84.08150	18.5
84.60437	0.3
85.02909	0.4
87.91740	0.3
89.03915	3.5
89.15420	0.3
91.05467	0.5
98.09689	1.9
111.04453	0.5
117.03387	14.2
119.04899	0.5
126.12807	12.6
134.03677	0.6
136.44826	0.3
137.05959	1.0
140.14337	0.6
144.13847	31.8
145.02858	55.3
146.03178	1.0
147.04443	1.2
149.05997	5.0
158.15335	0.3
164.30161	0.3
177.05481	100.0
178.05814	1.6
186.05533	0.7
212.78957	0.3
224.71936	0.5
231.06599	1.4
247.06065	0.7
251.58426	0.3
302.17194	0.4
305.10245	4.0
320.18558	5.9
371.46936	0.3
466.24420	45.5
467.24875	1.1
469.28372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29872	0.3
65.03940	0.9
67.05495	1.3
69.03429	0.5
69.78546	0.8
69.78951	1.1
70.06599	3.4
71.04993	0.8
84.08128	0.7
85.02895	1.2
91.05482	5.9
98.09695	40.2
99.10020	0.7
109.10153	0.4
111.10494	0.4
119.04945	17.1
127.03938	0.4
140.14346	18.9
141.14665	0.6
147.04413	100.0
148.04805	0.5
158.15410	26.7
177.05502	0.4
181.46652	0.3
304.19028	1.2
319.69635	0.4
372.67490	0.3
392.72769	1.5
393.22861	1.2
465.75565	2.6
466.24399	83.6
467.24728	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	466.2434
Annotation	Ku-0063794
Peak:m/z	Relative Intensity
50.03253	0.4
57.03439	0.5
58.06607	0.6
64.21499	0.4
67.05502	2.3
69.07066	0.7
69.31699	3.5
70.06592	8.2
71.04992	2.2
79.05476	0.4
81.07038	0.6
83.07374	0.7
84.08137	1.3
84.74689	0.4
85.02918	3.6
89.03922	1.9
91.05489	0.5
96.08134	0.9
98.09697	100.0
99.09989	0.7
105.86904	0.5
107.04961	1.3
109.10160	0.8
111.10448	0.8
117.03389	3.7
119.04946	1.8
126.52604	0.4
126.74847	0.6
131.41104	0.5
135.04417	6.9
140.14343	33.5
141.14726	0.5
145.02864	9.9
147.04413	7.5
158.15421	15.8
161.91576	0.4
163.03915	50.9
164.04291	0.5
177.05463	4.4
291.08688	1.4
304.01639	0.6
320.18555	13.5
335.77850	0.5
368.62881	0.5
392.72424	0.6
466.24402	96.6
467.24673	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24241	1.5
55.01868	3.5
55.05513	20.6
57.03440	1.6
57.07075	22.8
67.05505	36.3
67.78352	1.6
69.07068	23.2
69.74283	1.6
71.08645	14.9
71.53177	2.4
79.05493	5.5
80.90358	1.8
81.07072	10.3
83.04984	6.3
83.08629	21.6
85.06544	2.1
85.10199	8.5
91.05460	3.3
93.07027	5.3
95.08615	8.0
97.06564	2.7
97.10173	15.1
99.04424	2.4
107.04961	3.0
107.08581	6.7
109.02855	2.9
109.06530	3.6
109.10165	34.4
111.04422	10.5
111.08071	4.0
111.11717	4.6
119.08578	4.8
121.06548	2.0
121.10121	2.6
125.02375	6.4
125.06006	9.3
127.03918	5.1
133.10112	2.8
135.04414	4.3
135.11740	2.7
137.06004	3.4
137.09654	2.3
139.03935	4.4
139.07582	2.4
141.05455	2.2
145.10101	2.3
147.11671	1.8
149.09683	2.9
153.05475	63.7
155.10628	2.3
157.25874	1.7
159.67873	1.5
165.09198	1.6
167.07072	5.6
170.14836	1.8
173.11765	12.7
173.13101	2.8
175.11311	2.1
177.09132	3.6
181.04965	6.2
181.08623	5.7
187.14909	2.0
195.10222	3.3
199.06027	53.8
205.08533	1.8
209.11769	5.4
209.88249	1.6
213.07675	3.1
223.13353	3.6
237.11200	2.2
237.14960	2.7
240.09007	1.8
255.12355	5.6
264.82458	2.1
269.13846	2.2
293.17606	1.9
297.16806	3.7
311.18530	4.8
321.20779	2.2
325.20026	4.5
339.21786	5.7
347.29343	4.3
353.23352	3.2
367.24854	4.2
381.26459	2.5
391.32175	3.7
395.27936	4.0
409.29443	3.2
419.35245	5.6
447.34714	3.1
449.86746	2.0
465.35803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98932	1.4
53.03938	3.0
54.29898	1.3
55.01859	3.1
55.05493	5.1
56.05017	2.5
56.54608	1.4
57.03430	9.7
58.06594	2.1
61.02920	2.1
67.05520	11.6
68.05006	3.5
69.03410	6.1
69.07050	5.5
70.06603	20.1
71.01357	2.0
71.05000	8.4
71.52003	1.9
72.08135	2.2
79.05491	12.8
80.04958	1.6
81.03402	3.6
81.05772	1.6
81.07072	18.4
83.04967	3.3
84.04471	2.4
84.08150	16.1
85.02905	13.9
86.06048	5.4
86.09691	3.8
91.05487	13.0
93.07067	9.9
94.06545	1.9
95.01358	2.2
95.04940	6.2
95.08585	5.0
96.04452	7.0
96.08102	3.2
97.02877	3.1
97.06537	23.5
98.09700	57.6
99.08099	9.4
99.10012	5.3
103.05427	3.0
105.07025	12.1
106.06601	2.0
107.04938	6.6
107.07323	1.9
107.08558	4.3
108.04421	2.0
108.08125	1.9
108.22327	1.7
109.05236	5.1
109.06477	3.5
109.10123	4.7
110.07144	3.0
114.09167	2.4
115.05463	2.3
117.06994	2.2
117.76954	1.8
118.06504	1.7
119.04919	3.7
119.08537	5.3
120.08051	6.3
120.08809	1.9
121.06461	7.2
121.10190	3.8
122.06037	15.2
122.09673	1.8
123.04480	1.6
123.06786	1.9
123.08054	7.4
124.03851	1.8
127.07509	2.0
129.06976	3.9
129.10239	2.9
131.04916	2.4
131.08539	6.3
132.08089	1.8
133.06459	3.8
133.10101	4.6
134.05972	5.2
134.09593	2.7
135.06805	1.7
135.08037	2.7
136.07510	4.7
136.08444	1.6
140.14354	24.2
141.06912	1.5
141.14615	6.6
144.08040	2.4
145.02783	5.6
145.06454	2.2
145.10104	3.0
146.05986	4.3
146.09596	3.3
147.04422	12.2
147.07974	3.2
148.07591	8.8
148.11108	2.2
149.09616	11.4
150.09105	3.8
151.09900	8.0
152.10645	3.1
157.06535	1.8
158.15375	6.3
159.08012	2.7
160.07538	5.9
160.13368	1.9
161.08347	3.9
162.05632	2.1
162.09152	3.8
163.03854	5.6
164.10686	1.6
174.09029	1.8
175.07550	2.2
175.09801	1.7
176.10709	28.9
177.05449	9.5
177.09073	3.4
178.04922	2.2
190.08556	1.7
190.12282	18.7
192.10133	1.9
194.11688	2.6
200.07124	2.5
200.10695	5.3
202.12131	2.5
204.06512	3.3
204.10307	2.1
209.00002	1.7
214.05063	2.0
218.11726	3.3
220.09628	4.6
246.14917	11.6
247.15683	2.4
266.10229	4.3
272.16370	2.1
290.17542	20.5
319.69653	2.9
320.18573	3.0
326.12366	11.7
342.16763	4.3
352.13876	2.3
360.17657	1.9
362.15848	3.9
369.11542	2.0
370.14395	1.8
387.67831	1.8
392.22449	2.5
392.72690	9.4
393.22540	4.6
404.17166	10.0
413.55927	1.6
422.18106	57.7
448.13593	2.4
448.19641	38.9
465.75656	19.2
466.20419	100.0
466.45425	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3575
Annotation	2-Epicastasterone
Peak:m/z	Relative Intensity
51.79248	0.5
53.03931	0.9
53.34035	0.4
55.01885	0.8
55.05514	34.5
57.03437	1.8
57.07080	13.6
59.05009	3.7
59.12934	0.3
65.03939	2.1
67.05508	84.3
68.05846	0.4
69.03441	0.7
69.07070	34.4
69.29319	0.7
69.29720	3.2
71.05015	2.2
71.05322	0.3
71.08633	7.8
79.05487	2.8
81.07060	14.3
83.04952	0.5
83.08624	33.7
85.06541	2.8
85.10180	3.6
89.06017	0.5
91.05490	5.9
93.07031	2.8
94.07854	0.4
95.04971	0.7
95.08616	5.4
97.06520	0.4
97.10175	24.0
99.00837	0.5
99.04463	1.4
105.06989	0.6
107.08596	2.4
109.10162	61.5
111.04436	0.5
111.08107	2.7
111.11723	8.3
119.08588	5.1
121.10165	1.0
123.11699	0.5
125.09688	0.5
125.13283	2.2
127.03888	0.6
135.11752	0.5
137.05992	0.8
137.09625	3.0
139.03906	9.8
139.04913	0.7
139.14836	0.6
153.05466	2.3
155.10667	5.2
163.03918	0.5
167.07178	0.5
169.04951	0.8
173.11743	24.7
181.04947	16.4
188.71915	0.4
196.88622	0.4
211.13153	0.6
229.14357	0.4
237.22237	1.3
385.29456	0.5
401.34207	0.7
419.35208	0.5
429.33743	0.5
447.34726	1.8
465.35797	100.0
466.35989	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	465.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.5
55.05317	1.3
55.05517	14.1
57.03434	2.8
57.07082	24.5
65.03924	2.3
65.90746	1.4
67.05508	17.8
69.03405	2.1
69.07072	20.2
71.04995	2.5
71.08635	24.7
74.34401	1.5
79.05492	5.6
79.98921	1.4
81.07059	11.9
83.04966	8.6
83.08620	16.1
85.06506	1.5
85.10194	12.0
89.06032	9.9
91.05475	3.6
93.07046	8.0
95.04988	2.4
95.08614	12.8
95.67853	1.5
97.06550	4.3
97.10214	10.1
99.04459	4.7
99.11713	1.7
105.07027	4.6
107.04955	4.4
107.08616	11.0
109.06557	4.5
109.10175	15.1
111.04449	13.4
111.08056	4.2
111.11705	6.3
119.08595	4.2
121.06532	3.0
121.10152	4.8
123.04427	2.1
123.08065	3.5
123.11718	3.8
125.02363	11.0
125.05993	12.1
125.09711	2.2
125.13213	1.9
127.03949	9.4
131.08569	1.8
133.08641	2.1
133.10138	2.9
135.04425	5.4
135.08051	5.4
135.11703	4.0
137.05972	4.2
137.09599	2.5
139.03879	4.1
139.07544	2.9
141.05499	2.4
145.10150	3.5
147.11700	4.5
149.09627	3.0
149.13312	3.0
151.03868	2.7
151.07561	6.6
153.05473	90.2
153.09117	2.9
155.07048	2.8
158.17023	1.6
159.11743	2.6
161.09583	1.9
161.13274	2.8
163.03906	2.2
163.07573	2.7
163.11243	2.0
163.14873	3.1
165.09102	3.0
167.07025	7.8
169.04950	4.7
173.11835	2.3
173.13261	2.5
177.09114	3.3
179.10707	2.1
181.04979	9.8
181.08562	8.4
187.06110	3.1
191.10722	2.8
191.14326	4.4
193.12276	4.2
195.10181	6.3
199.06027	82.7
205.12297	2.8
209.11765	5.2
209.15341	4.2
213.07565	5.9
223.13321	6.5
227.09209	3.0
227.16447	6.6
237.11165	1.8
237.14812	2.6
239.23811	1.6
241.10777	5.2
251.16528	3.6
255.12288	7.6
265.14444	1.6
265.18045	5.2
269.13889	6.9
279.19360	2.3
283.15399	5.7
290.67685	1.6
293.17545	2.0
293.20947	1.6
297.16925	4.7
307.22733	2.1
311.18457	5.8
321.20554	2.4
325.20203	7.8
326.10312	1.5
335.25793	2.2
339.21674	8.8
347.29453	6.2
353.23325	4.8
363.25058	2.3
367.24893	5.2
373.30887	1.8
381.26361	5.9
385.29248	5.2
391.32169	4.3
395.28104	7.1
409.29398	6.1
419.35086	11.3
447.34546	3.2
465.35791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92803	0.5
53.03927	0.7
55.01878	8.2
55.05513	18.1
57.03438	10.4
57.06834	0.6
57.07077	8.1
59.33042	0.5
67.05508	7.4
69.07069	23.3
69.83984	1.1
69.84386	1.3
71.04979	0.7
71.08639	6.7
73.02931	5.6
79.05499	4.6
81.07062	8.1
83.08621	19.5
85.02899	0.7
85.10166	1.8
91.05452	1.1
93.07043	4.8
95.08604	5.8
97.06569	2.6
97.09554	0.8
97.10167	12.9
98.09676	2.2
98.20862	1.0
98.98467	53.0
107.08602	3.6
109.10143	1.9
111.08076	1.1
111.11728	3.1
116.99474	0.8
119.08500	0.6
121.00060	0.6
121.10143	6.5
123.11688	1.3
124.99993	0.9
125.13290	0.6
129.05486	2.4
133.10101	0.5
135.11694	3.5
136.99983	4.3
137.13271	0.9
139.11200	0.7
140.01057	0.5
140.14305	1.0
143.80791	0.6
147.73154	0.6
149.13300	1.0
155.01045	52.9
181.00569	0.6
193.02597	0.9
196.03766	0.6
211.03674	1.4
219.21075	2.1
229.04704	3.6
237.22108	8.9
237.26140	0.6
255.23366	0.5
269.54126	0.6
311.25809	100.0
312.26086	1.9
391.22293	0.8
392.22604	1.1
447.19193	1.0
447.25092	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	465.1185
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
55.05498	0.8
55.06851	0.3
57.03437	0.3
65.03940	0.4
67.05511	2.0
69.07063	0.5
70.06599	2.4
70.13589	0.8
70.13978	0.6
71.05004	1.5
72.08128	0.5
78.93284	0.3
79.05468	1.2
79.82745	0.3
81.03387	0.6
81.07075	1.5
83.04960	0.3
83.08595	0.6
84.08144	1.7
84.57230	0.3
85.02920	2.9
86.06039	0.3
86.09692	0.6
89.39677	0.3
91.05482	2.3
93.07027	1.5
95.04966	2.2
95.08617	0.4
97.02885	0.4
97.06438	0.3
98.09698	9.3
98.20816	0.4
102.04655	1.1
103.05463	0.5
104.86642	0.3
105.07010	1.4
107.04926	0.4
107.08572	0.9
109.02850	0.4
109.06498	0.6
109.10165	0.8
117.03364	0.3
117.06975	0.4
118.04139	0.6
119.04924	1.3
119.08504	0.5
120.08056	0.4
121.06491	1.2
121.10097	0.5
123.04393	0.6
123.08043	0.4
123.11688	0.5
128.06207	0.3
129.05429	0.3
130.04149	1.7
131.04927	0.6
131.08591	0.8
133.06465	0.7
133.10085	0.4
135.04346	0.6
135.11699	0.6
136.05212	1.6
137.05994	0.8
140.14354	4.3
143.08533	0.4
145.02858	0.7
145.10112	0.7
146.03658	2.6
147.04416	4.3
147.11671	0.4
148.05199	3.8
149.09700	0.4
153.01859	4.0
157.10100	0.4
158.15358	0.7
159.11723	0.5
161.05983	2.2
162.06804	0.8
163.03894	1.0
177.05461	1.1
183.52747	0.4
203.03445	3.1
213.05595	0.5
223.13242	0.4
229.04965	4.9
241.05011	1.0
242.03453	0.7
242.05760	10.8
253.05003	3.0
257.04465	45.6
258.05240	18.2
259.05762	0.4
269.04504	1.7
270.05222	1.7
271.06052	1.2
272.51361	0.4
283.06015	1.0
285.03976	7.6
286.04733	29.4
287.05502	13.7
295.06097	0.4
297.03983	4.7
299.05588	1.6
303.05069	0.9
311.05441	0.5
319.19611	0.7
321.07516	0.3
323.05515	0.4
327.05005	2.3
341.06659	1.2
359.09033	0.5
373.06857	0.6
373.23737	1.0
375.08582	0.6
387.08777	0.4
389.06409	0.4
392.22528	4.2
392.72760	0.7
403.08139	1.1
415.08191	1.0
432.08499	2.9
435.10794	4.7
447.10791	14.3
447.27228	0.8
448.10910	0.5
465.11853	100.0
465.24933	6.7
465.75531	0.6
466.12228	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	463.3782
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03931	1.2
55.05511	13.1
57.07081	36.1
67.05507	6.8
67.40488	1.3
69.07070	23.5
69.31189	2.8
69.31604	8.2
71.08636	23.7
75.63029	1.3
79.05487	6.3
79.07012	1.3
81.07055	16.2
83.08626	15.5
85.10183	12.3
91.05480	5.9
93.07077	7.0
95.08615	17.5
97.06551	4.6
97.10167	10.8
98.62910	1.4
99.04457	2.8
99.11765	1.6
103.97170	1.2
105.07023	6.6
107.08610	5.4
109.06528	14.9
109.10184	7.7
111.08099	2.8
111.11716	5.0
119.08593	4.9
121.06503	2.7
121.10151	5.1
123.08067	11.7
123.11694	3.9
125.06017	13.7
127.07558	43.1
131.08566	2.9
133.10139	2.7
135.08020	2.2
135.11708	1.7
137.05984	4.9
137.09610	3.7
139.07544	100.0
147.11678	3.3
149.05991	4.5
149.09671	2.9
149.13286	1.7
151.07565	9.4
153.09227	1.5
161.09613	1.9
161.13264	1.8
163.07495	3.0
165.09113	2.6
167.07068	4.1
175.14786	1.7
177.09125	15.0
179.10719	1.7
189.12750	1.7
205.12144	1.6
207.13882	2.3
301.28915	5.7
319.29987	9.6
347.33139	14.2
373.31033	4.3
385.35056	1.6
389.37570	1.7
399.36240	3.6
403.35669	2.6
417.37268	18.8
427.35672	3.1
445.36807	62.9
463.37827	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03934	0.9
55.01877	0.8
57.03419	0.9
61.02917	1.5
68.99783	0.6
69.03426	3.0
69.17558	3.2
69.17957	0.6
70.06592	0.5
71.04998	0.8
81.03413	2.1
84.08175	0.5
85.02908	9.7
86.09701	0.5
97.02895	3.6
98.09717	2.2
99.04484	0.6
109.02892	1.3
111.00809	0.7
121.02847	1.1
127.03921	1.4
133.04858	0.4
137.02347	3.4
140.14331	0.9
140.99666	0.3
145.04944	1.3
147.04314	0.5
149.02290	0.5
153.01839	4.0
163.03937	0.5
165.00589	0.4
165.01799	2.5
165.21228	0.4
173.05983	0.7
183.02988	0.4
183.04480	0.5
201.05489	2.1
202.01141	0.4
224.05743	0.4
229.04985	5.4
257.04498	2.9
274.04727	0.6
285.03946	0.8
303.05011	100.0
304.05276	0.9
392.22403	1.1
409.73630	0.4
465.25455	1.2
466.24777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3784
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
54.73514	7.3
55.05505	25.0
57.07084	57.2
66.92037	7.8
67.05503	13.6
67.59272	5.8
69.07083	36.5
71.08643	32.4
72.26772	5.9
79.05499	8.9
81.07054	30.1
81.80600	6.4
83.08611	27.0
85.10188	14.9
93.07045	8.0
95.08601	22.2
97.10156	20.9
99.04409	6.6
105.07040	11.1
107.08603	10.3
109.06512	13.0
109.10146	18.7
111.11730	12.4
119.08568	7.6
123.08067	18.4
125.05990	27.9
127.07559	27.5
135.08096	14.7
135.11626	6.8
137.05988	22.3
137.09631	10.9
139.07535	96.8
151.07558	16.9
159.11812	6.9
161.13338	6.5
165.09117	9.2
173.09558	6.1
177.09076	13.9
179.07098	7.3
183.62247	6.3
184.00620	6.8
319.29895	14.7
347.32983	8.4
417.37070	24.8
445.36856	95.9
463.37866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01872	4.2
55.05519	24.0
57.03440	8.0
57.07077	2.0
57.07456	1.7
65.03938	4.7
67.05508	58.2
69.07076	21.0
70.06602	2.5
71.04984	5.3
71.24030	3.3
71.24375	2.3
74.96575	1.6
79.05496	57.3
81.03411	3.4
81.07059	63.4
83.04985	3.5
83.08616	10.8
85.06552	3.7
86.09737	1.5
91.05483	69.1
93.07043	58.1
95.04971	8.3
95.08614	40.6
96.76589	1.5
97.06525	8.1
97.10163	6.0
103.05489	2.7
105.04530	2.1
105.07038	69.4
106.07420	1.8
107.04963	7.4
107.08593	28.3
109.06527	8.8
109.10149	15.2
111.08095	2.5
115.05469	3.4
116.06206	2.6
117.07027	33.0
119.05087	1.5
119.08579	40.3
121.06513	6.6
121.10136	18.7
123.08093	5.0
123.11756	2.3
125.09689	3.0
128.06247	4.1
129.06992	23.8
130.07893	1.8
131.08566	46.7
133.06503	5.2
133.10146	21.5
135.08075	8.0
135.11665	9.4
137.09622	3.1
141.06944	9.1
142.07765	2.5
143.08557	19.7
144.09428	2.7
145.06493	3.3
145.10120	26.7
147.08058	5.9
147.11726	7.1
149.09641	4.7
149.13252	4.9
151.11217	3.6
155.08543	13.4
157.10120	14.0
159.08095	3.3
159.11670	13.9
161.09618	4.4
161.13275	5.0
163.11200	3.9
166.87392	1.5
167.08627	4.3
169.10115	11.9
171.08095	2.3
171.11722	11.7
173.09558	2.6
173.13316	6.7
175.11212	2.2
176.04108	1.6
177.12801	3.2
180.94131	1.6
181.10156	4.2
183.11755	8.5
185.09616	2.8
185.13242	8.7
187.11214	2.4
187.14868	2.3
191.14307	1.8
195.11713	6.0
195.13736	1.4
197.13260	10.9
199.14845	3.5
201.12747	3.4
201.16425	2.2
208.63316	1.6
209.13266	4.4
211.14880	4.6
213.12798	3.0
213.16563	3.1
215.14381	2.1
217.15869	2.1
219.13835	3.3
223.14871	3.3
227.14264	2.2
227.17873	2.0
229.15866	2.0
233.15390	3.9
235.17020	1.9
239.18044	1.8
241.15942	2.3
244.13255	1.5
247.17014	3.8
255.17519	2.0
259.17010	4.7
261.18427	3.1
273.18478	3.0
307.24121	1.9
325.25278	6.0
335.23615	9.5
343.26334	15.5
353.24728	36.3
361.27603	2.6
371.25787	45.5
373.11935	1.7
389.26886	49.3
414.88617	1.7
418.64682	1.5
427.28421	5.4
445.29529	100.0
463.24173	3.4
463.30573	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3059
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03945	3.8
55.01866	3.2
55.05518	18.1
57.03438	5.5
57.07058	1.8
61.02908	1.1
65.03938	3.7
67.05511	72.3
67.18007	1.0
69.03438	1.2
69.07071	23.6
69.73280	2.2
69.73688	4.1
70.06602	2.0
71.05002	4.8
72.08134	1.2
73.02912	1.5
77.19703	1.0
79.05499	42.4
79.22010	1.0
81.03439	5.3
81.07060	94.1
83.05000	7.3
83.08624	15.8
85.06547	4.6
91.05488	29.6
91.06024	2.1
93.07050	64.0
95.04978	7.9
95.08614	26.2
96.03081	1.0
97.06546	12.4
97.10189	2.9
99.08105	3.4
102.21072	1.0
105.04511	2.3
105.07047	14.2
107.04939	2.1
107.07883	2.2
107.08604	40.6
109.06540	3.2
109.10149	7.3
111.08095	8.8
115.05464	1.6
117.07027	15.0
119.08556	4.8
121.06515	4.3
121.10144	19.7
123.08109	1.2
123.11758	2.8
125.09701	2.3
129.07021	2.6
131.08571	14.0
133.10141	16.7
135.08063	3.2
135.11685	10.2
143.08585	1.3
145.10138	3.4
147.11687	2.5
149.09656	2.1
149.13266	40.1
151.11214	1.9
153.56895	1.0
155.08556	1.3
157.10114	1.8
159.11702	15.1
163.11156	1.1
167.14322	1.5
177.12755	8.5
195.13809	21.8
200.14380	1.4
204.13902	3.0
213.14966	2.9
223.14944	1.1
227.12904	1.7
301.06873	1.1
343.26370	1.2
353.24829	2.7
371.25882	4.6
389.26877	3.7
405.66721	1.1
445.29694	8.4
463.30673	100.0
464.30792	1.5
473.65042	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75190	1.3
53.03937	5.6
55.01868	6.2
55.05268	1.9
55.05510	27.4
57.03433	9.7
57.07067	3.5
57.19566	1.3
65.03937	4.1
66.58862	1.1
67.05502	74.6
69.03424	1.8
69.07068	25.6
71.04987	5.1
72.24158	1.4
77.03925	1.6
79.05489	62.0
81.03407	3.0
81.07053	74.3
83.04971	4.9
83.08616	15.5
85.02857	1.7
85.06538	3.7
91.05479	85.6
93.07040	68.3
95.04980	10.0
95.08607	42.6
95.09132	1.0
97.06519	11.1
97.10157	5.1
99.04479	1.1
99.08093	1.6
103.05450	4.8
105.04510	2.6
105.07027	68.7
107.04919	8.4
107.08598	33.3
109.06521	7.4
109.10150	15.0
111.08076	4.9
115.05439	4.5
116.06289	1.8
117.07014	37.6
119.04929	1.9
119.08576	47.7
121.06490	10.1
121.10142	23.8
123.08079	5.0
123.11735	2.7
125.09639	3.9
127.07538	1.4
128.06241	5.7
129.06992	26.4
130.07773	2.6
131.08562	65.1
133.06508	3.7
133.10132	28.0
135.08002	6.9
135.11691	9.5
137.09634	1.8
139.11212	1.3
141.07008	12.2
142.07826	3.6
142.50737	1.4
143.08557	26.2
144.09271	2.1
145.06482	4.0
145.10120	34.6
147.08064	7.3
147.11678	9.9
149.09621	4.2
149.13242	8.8
151.11125	2.8
153.07033	1.7
153.09093	1.3
154.07744	2.4
155.08551	16.0
157.10127	17.8
159.08047	3.8
159.11690	20.4
161.09598	3.0
161.13251	4.8
163.01196	1.3
163.11177	3.3
167.08551	3.5
168.09361	2.4
169.10106	12.6
171.11649	10.9
173.09572	3.7
173.13255	9.7
175.11168	2.0
175.14781	1.6
177.12788	3.9
181.10139	7.2
183.11679	10.8
185.09555	1.9
185.11859	1.2
185.13205	7.8
187.11209	2.7
187.14833	5.5
189.12810	2.2
193.12357	1.4
195.11717	7.4
195.13762	2.3
197.13289	7.0
199.11134	3.9
199.14810	4.3
201.12740	4.2
201.16376	2.1
203.14400	1.5
207.11818	1.4
209.13243	5.5
211.14847	5.7
213.12866	2.4
213.16409	2.3
215.14386	2.3
217.16019	1.9
219.13797	2.6
223.14842	5.2
225.16431	3.9
227.14439	2.0
229.15909	1.8
231.17433	1.7
233.15448	3.6
237.16338	1.9
241.15999	2.6
241.19576	1.7
243.17615	2.4
245.15416	1.6
245.19098	1.7
247.16992	4.6
255.17543	2.4
259.16956	5.4
261.18576	3.9
271.16882	1.4
273.18436	2.1
287.20038	2.3
301.06979	1.7
307.24469	2.2
317.22681	1.5
325.25177	7.2
335.23651	8.4
343.26282	17.0
353.24710	40.7
371.25787	47.6
389.26840	55.4
417.29861	1.6
427.28500	7.0
445.29468	100.0
463.30545	92.5
464.30753	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	463.3035
Annotation	Tupichigenin D
Peak:m/z	Relative Intensity
55.05505	1.2
57.03455	0.5
57.07064	0.4
61.81155	0.3
66.28646	0.4
67.05503	2.8
69.07059	1.1
73.72598	0.4
75.18417	0.4
79.05489	2.1
81.07053	2.8
83.01113	1.0
83.08614	0.6
91.05494	2.4
93.07050	2.1
95.04951	0.6
95.08598	1.4
97.06546	0.6
98.20715	0.8
101.73127	0.4
105.07028	1.9
107.08596	1.5
109.10178	0.6
111.04203	2.1
117.07049	0.9
119.08607	1.6
121.10175	0.7
123.11645	0.6
127.03680	2.9
129.07011	0.9
131.08586	1.8
133.10159	1.0
135.08145	0.3
135.11737	0.5
143.08540	0.8
145.10179	0.9
149.13289	0.8
155.06799	0.4
157.10123	0.4
159.11673	1.0
169.10161	0.5
171.06274	1.6
181.10083	0.5
188.06572	1.1
199.09485	1.0
201.55771	0.4
215.08961	1.3
281.19611	0.4
299.80377	0.4
337.16187	2.4
343.26495	0.4
353.25009	0.5
371.25854	1.2
377.19339	1.5
389.27048	0.7
445.29401	3.8
463.30328	100.0
464.30804	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3055
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02378	1.4
53.03929	3.9
55.01875	5.7
55.05514	21.4
57.03445	7.0
57.07066	2.7
58.30842	1.1
60.78161	1.1
63.42062	1.2
65.03935	3.7
67.05506	79.3
69.07072	23.3
69.23596	4.1
69.24023	7.1
70.06635	1.1
71.04984	4.7
73.84178	1.1
79.05494	57.0
80.03967	1.2
80.50038	1.3
81.03419	4.0
81.07059	91.5
83.04984	8.6
83.08621	17.0
85.02908	1.7
85.06541	4.4
91.05485	51.8
93.07044	73.0
95.04958	7.5
95.07993	1.7
95.08609	36.2
97.06540	11.5
97.10169	4.2
99.08101	3.4
105.04498	2.3
105.06319	2.0
105.07029	41.6
107.04947	5.2
107.07880	2.1
107.08596	39.4
109.06539	5.5
109.10152	9.9
111.08076	7.2
113.06010	1.2
115.05470	1.6
117.07021	25.0
119.08585	24.1
121.06502	6.1
121.10159	20.3
123.08088	3.3
123.11707	5.1
124.72478	1.1
128.06204	2.1
129.07007	14.5
131.08572	32.7
133.06480	1.2
133.10135	16.8
135.08086	3.7
135.11691	11.8
137.09625	2.2
139.11200	2.3
141.06979	5.4
142.07854	1.3
143.08563	11.7
145.10117	17.8
147.08060	3.6
147.11699	5.6
149.09647	4.1
149.13255	25.4
151.11226	1.9
155.08556	6.8
157.10165	9.6
159.07976	1.2
159.11699	18.5
161.09589	2.2
161.13213	2.3
163.11182	2.5
169.10187	5.3
171.11685	6.7
173.09608	1.7
173.13310	3.8
177.12791	7.7
181.10081	3.0
183.11732	3.0
185.09650	1.4
185.13249	3.4
187.14894	2.0
189.12820	1.3
195.11967	2.7
195.13783	14.2
197.13234	3.0
199.14856	2.4
201.16315	1.5
203.14334	1.3
209.13309	3.6
211.14876	1.6
213.14812	2.9
214.16203	1.1
221.13268	1.3
222.73212	1.2
225.16408	1.2
227.14323	2.1
227.17981	1.6
229.15956	1.9
233.15494	1.8
247.17010	2.9
273.18658	2.0
283.09091	1.4
325.25363	4.4
335.23630	5.3
343.26395	7.5
353.24728	18.6
371.25842	22.9
371.30399	1.6
389.26859	25.6
422.93771	1.6
427.28552	3.3
445.29501	62.0
463.30618	100.0
464.30847	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	463.1944
Annotation	Aglacin K
Peak:m/z	Relative Intensity
55.01870	1.0
55.05508	1.2
56.04996	0.7
56.96547	1.1
57.03431	1.4
58.06594	0.8
67.05499	1.5
68.05031	1.2
69.03419	1.2
69.07063	1.1
70.06585	2.9
71.21558	0.6
72.08163	1.5
73.02935	0.7
79.05495	1.6
81.03403	1.4
81.07055	2.4
83.05002	0.9
83.08591	0.6
84.04502	0.9
84.08150	4.0
85.02896	2.5
86.06062	2.6
86.09708	2.4
91.05483	2.4
93.07050	2.4
95.04961	0.6
95.08591	1.8
97.02906	0.8
98.97595	5.0
103.05499	0.6
105.07025	2.5
107.08610	1.5
109.02882	1.2
109.10141	2.1
110.07161	1.1
110.97582	2.0
111.04425	0.8
116.98612	2.0
119.04922	0.7
119.08596	1.4
120.08082	1.4
121.06496	1.7
121.10131	0.7
122.06804	0.7
125.09708	0.7
128.34621	0.7
128.98604	0.7
129.10252	1.3
131.08536	1.0
133.06546	0.8
133.10129	1.4
136.07623	1.1
139.05016	2.7
147.11760	0.8
151.07533	1.1
157.10107	0.9
158.99684	1.2
163.11197	1.1
170.99736	1.2
177.00632	0.8
213.42052	0.7
219.01727	1.8
237.02899	1.5
254.91904	0.6
279.72208	0.7
287.05862	0.8
295.09772	2.5
301.06982	1.3
313.10760	1.7
331.14197	1.2
349.15387	2.5
398.63965	0.6
426.03137	0.8
455.90887	1.0
456.26654	0.8
463.19382	100.0
464.19830	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38888	23.9
55.05502	37.4
67.05502	64.7
69.78171	100.0
69.78590	47.1
70.06600	27.8
79.05476	43.0
81.03396	28.2
81.07048	63.6
88.10224	24.1
89.19327	31.2
90.67198	25.3
91.05470	39.9
93.07039	56.3
95.08610	48.0
98.21434	35.7
105.07045	39.3
107.08636	43.6
119.08575	55.4
121.06504	43.1
123.05321	32.5
131.08487	34.4
133.10071	36.1
140.83110	30.1
199.14818	25.1
306.43509	27.0
310.28622	28.8
324.49042	31.2
334.23373	28.9
337.72507	32.8
462.24323	44.2
462.29959	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.01866	1.8
55.05511	3.0
55.68046	0.5
56.05013	1.2
57.03419	2.2
59.82005	0.7
60.04513	0.7
61.02905	1.0
67.05510	3.7
68.05014	2.9
68.33924	0.6
69.03419	2.4
69.07050	2.6
69.54108	0.6
70.06589	6.6
71.04971	0.8
71.52192	0.7
72.08143	1.9
73.02912	1.5
75.38397	0.6
79.05502	5.0
80.04976	1.1
81.03390	2.1
81.07056	10.1
83.01326	0.6
83.04976	1.1
83.08595	1.7
84.04510	1.8
84.08147	6.9
85.02903	3.4
85.06509	1.1
86.06080	5.1
86.09708	3.8
91.05480	6.9
93.07058	6.0
94.06523	0.8
95.04950	1.6
95.08609	3.4
96.04481	1.2
97.02876	1.8
97.06445	0.6
97.41550	0.6
98.09705	1.3
103.05435	2.1
104.64248	0.5
105.07040	7.7
107.04933	2.6
107.05582	0.6
107.08625	3.2
108.04494	0.7
109.05249	2.8
109.06476	1.0
109.10134	1.9
110.06045	1.1
110.07134	1.9
112.03930	0.7
112.08669	0.7
115.05505	1.6
116.06197	0.7
116.07074	0.6
117.06998	1.5
119.04923	1.2
119.08562	2.4
120.08074	1.9
121.06493	3.7
121.10154	1.9
122.06001	0.8
123.04436	1.3
123.11680	0.8
124.03937	2.5
124.07581	1.0
127.03861	0.9
128.06187	0.9
129.06985	1.8
129.10245	2.1
130.04961	0.7
130.06497	0.9
131.04907	0.9
131.08565	6.0
132.04469	1.2
133.05083	0.8
133.10147	4.7
134.05975	1.9
135.08037	0.8
135.11728	1.1
136.03929	1.4
136.06189	0.7
136.07574	1.7
137.05977	0.9
137.09569	0.6
138.05476	0.8
140.14291	0.9
142.04993	0.7
143.08527	1.4
145.06447	1.0
145.10088	1.7
146.05975	2.2
147.04385	1.3
147.07954	0.7
147.11665	0.9
148.03914	1.5
148.07614	1.1
148.11171	0.7
149.04733	0.6
149.09575	0.7
149.13242	1.1
150.13599	0.7
151.07512	1.9
152.07021	0.8
155.08513	1.3
158.06027	2.9
159.08020	2.7
159.11658	1.1
160.03888	0.9
160.07527	1.1
161.09593	1.2
162.05527	1.1
162.09198	0.8
163.07539	0.7
165.09132	1.7
168.07996	0.7
170.06071	0.8
171.04439	1.1
172.03928	1.0
173.09695	1.3
173.13170	0.8
174.05489	2.8
176.10693	1.3
177.11441	1.0
178.04872	1.0
182.05945	1.0
184.07442	1.6
186.05545	2.2
188.07030	1.5
190.05002	1.0
198.05562	1.2
199.03839	1.6
200.03516	1.3
200.06982	1.4
200.10745	2.0
202.04933	1.7
204.06633	0.7
204.10208	1.5
206.11752	1.0
210.08878	0.9
214.04929	1.4
216.03038	0.9
216.06610	1.0
216.10197	1.1
218.04523	1.2
224.07158	0.9
224.10936	1.0
226.04926	1.4
226.12265	1.5
227.03413	6.4
228.10239	0.8
230.04431	0.8
240.02864	0.9
240.06468	1.0
242.04504	1.5
242.11819	1.5
246.11176	1.8
254.11859	1.4
255.02898	11.1
256.05939	0.8
258.11389	0.8
259.14386	2.7
264.10272	0.8
266.21860	1.0
269.17435	1.1
270.04010	1.1
271.14407	12.2
272.12799	1.5
283.02280	4.0
284.02905	0.9
284.05719	0.8
289.15485	1.6
294.11066	0.9
301.07004	1.5
302.06171	0.7
310.10956	1.1
316.08057	0.8
330.06003	1.9
340.11719	0.8
348.07001	1.0
349.33463	0.7
350.10052	0.8
370.12979	0.7
372.14157	1.2
380.10901	0.8
384.14236	1.5
387.15207	1.0
395.10809	1.4
398.12387	4.3
402.15387	2.0
415.15106	1.5
416.13269	3.9
433.16006	10.7
445.15985	2.2
445.25787	0.7
446.14337	2.3
446.90573	0.7
463.10220	17.3
463.16977	100.0
463.27420	2.7
464.17233	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92463	0.8
53.03933	1.3
53.96472	0.9
54.63628	0.8
55.01879	1.0
55.05508	2.9
56.05041	4.5
56.67537	0.8
57.03439	1.8
60.04522	5.6
60.04775	1.0
60.05648	1.0
61.02905	1.5
65.03934	1.6
67.05490	3.1
68.05019	2.3
69.03427	5.6
69.07056	2.5
70.02940	1.1
70.06595	21.4
70.89155	0.8
71.04980	1.6
71.06918	1.8
71.52029	1.0
72.08154	16.8
73.08492	2.3
74.06065	3.1
79.05496	2.3
81.03410	1.8
81.07050	1.6
83.01349	0.9
83.04956	2.4
83.06094	2.7
84.04504	8.3
84.08140	18.6
85.02913	7.4
85.08482	0.9
86.06056	3.2
86.09706	37.0
87.04457	1.4
87.05590	3.5
87.10033	7.3
88.03954	1.2
91.05479	4.9
93.04527	1.8
93.07039	5.6
95.04982	6.6
95.06059	1.9
95.08594	3.8
96.04547	1.2
97.02885	4.0
97.06525	1.7
98.05990	0.9
98.09702	1.9
99.04454	1.3
101.07113	1.4
101.75366	0.9
102.05540	3.4
105.07026	8.3
107.04948	1.8
107.08588	2.6
109.02892	1.4
109.06512	4.0
109.10149	1.2
110.06041	1.1
110.07165	28.1
111.04457	4.4
111.08106	1.5
112.08750	1.8
113.05983	1.7
113.07141	1.1
117.07021	2.1
117.74409	0.9
119.04916	1.2
119.08598	11.6
120.04454	1.9
120.08102	5.9
121.02845	3.6
121.06505	20.2
121.10114	1.5
123.08067	5.0
125.06020	1.0
127.03893	0.9
127.08676	1.0
129.06961	1.6
129.10263	6.0
130.04985	3.8
130.10596	1.2
131.08589	5.3
133.06454	4.5
133.10123	2.4
134.06847	1.8
135.04468	1.1
135.08057	9.9
136.06145	1.3
136.07584	2.4
137.09587	2.4
138.05547	1.1
138.06609	1.5
138.09099	3.8
139.03909	1.3
139.07613	1.0
139.08620	1.1
141.06706	0.8
142.07782	1.5
143.08530	1.9
143.11786	2.5
145.10135	4.2
147.04391	3.6
147.08063	5.6
147.11673	2.2
148.06053	4.0
149.09622	2.0
152.07077	0.9
155.08354	1.4
157.10109	4.5
158.07239	3.5
159.08078	5.7
159.11699	7.1
161.06001	1.4
161.09621	5.3
165.09146	4.9
168.09328	1.5
171.08018	1.1
171.11526	2.0
172.08836	1.7
173.09564	2.8
173.13155	4.0
175.07536	11.8
175.11043	5.5
178.13466	2.4
181.09792	1.0
183.11679	2.6
185.09492	1.1
186.10464	1.1
187.07245	1.6
187.11127	6.3
189.09111	2.6
189.12697	2.5
193.08554	2.1
196.08865	1.6
199.11217	5.1
199.18095	2.3
200.18311	1.7
201.12718	8.3
202.12628	1.2
203.10652	8.4
205.12193	1.2
211.11182	5.1
215.13954	1.9
216.14352	1.2
217.08292	1.0
217.12242	4.7
219.13701	3.1
223.07603	2.4
223.15514	3.4
228.17819	1.7
229.12198	6.2
235.09296	3.7
235.13359	2.4
236.09572	2.9
244.13206	1.0
247.13264	24.8
248.13089	2.1
251.15031	3.0
258.14383	1.0
265.14349	100.0
301.07178	1.7
315.21014	1.6
432.55032	1.0
453.24734	1.3
462.18082	1.5
462.25693	7.6
462.76059	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	461.3622
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
50.14237	1.8
53.03938	3.2
55.01870	3.0
55.05515	29.3
57.07079	64.3
67.05502	18.2
69.03386	2.4
69.07070	52.7
71.04972	7.6
71.08631	43.0
71.52167	3.4
79.05492	11.8
81.06600	4.7
81.07056	80.8
83.04958	5.6
83.08625	38.1
85.10185	24.9
91.05478	8.6
91.59941	2.4
93.07044	11.8
95.04960	2.4
95.08610	56.5
97.10175	25.1
99.04447	11.4
105.07045	11.5
107.08589	18.1
109.06518	20.4
109.10169	28.4
111.04436	9.5
111.11708	18.4
117.07024	3.0
119.08583	11.1
121.10143	15.7
123.08030	6.0
123.11694	14.3
125.05987	8.3
125.13254	7.4
127.03907	16.7
128.06203	2.1
129.06981	3.5
131.08554	9.6
133.06480	6.2
133.10129	5.8
135.08069	10.4
135.11678	6.2
137.05980	100.0
137.13222	5.8
139.11194	2.4
144.09325	5.5
145.10124	19.0
147.11646	3.8
149.09596	7.0
149.13249	4.3
151.07553	25.6
151.14812	7.1
153.05569	4.4
155.08548	5.5
157.10103	6.9
158.07248	3.4
159.08102	3.4
159.11700	29.1
161.09579	4.5
163.07628	5.0
163.11122	6.6
163.14891	2.7
165.09084	4.2
167.07034	4.7
169.10156	5.3
171.11708	6.8
172.08833	9.2
173.09627	75.2
173.13251	6.5
174.10335	3.3
175.07500	2.6
175.11191	12.0
177.09116	12.7
177.12766	4.3
177.16434	2.8
179.07063	2.9
183.11745	4.0
185.09842	2.4
185.13202	2.9
186.10391	5.1
187.11174	56.4
189.09120	3.4
189.12732	4.9
191.10637	9.9
193.08580	9.2
201.09105	3.6
201.12749	7.5
205.12238	26.3
215.10635	8.8
215.25731	2.0
217.12192	8.7
219.13791	10.6
229.12201	6.4
229.15952	3.2
243.17635	2.4
245.15378	3.3
271.16809	2.6
277.28937	10.2
299.20087	3.3
317.31897	3.2
335.33228	10.6
341.28525	2.8
355.30054	3.2
382.87460	2.2
383.33130	59.8
397.34729	23.3
401.34201	50.2
425.34256	17.3
443.35233	37.5
461.36139	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	461.3625
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03931	3.8
55.01869	2.4
55.05274	2.3
55.05515	32.4
57.07079	70.9
67.05502	21.9
69.03416	3.2
69.07072	56.8
70.76157	2.5
70.76513	3.6
71.04986	5.5
71.08636	59.0
76.20196	1.8
79.05477	16.2
81.07060	96.2
83.04973	8.1
83.08623	42.3
85.06534	2.0
85.10188	29.4
87.60557	2.2
91.05482	9.8
93.07050	15.9
95.04957	3.8
95.08613	66.3
97.06561	2.7
97.10186	31.7
99.04447	14.2
99.11738	3.7
105.07024	15.6
107.08598	16.2
109.06527	21.6
109.10168	38.8
109.77527	1.6
110.32697	1.7
111.04473	10.2
111.08066	3.2
111.11729	21.7
113.06042	1.8
117.07022	6.2
119.04935	1.9
119.08587	11.5
121.06519	4.5
121.10134	18.2
123.08061	8.1
123.11707	21.1
125.05997	10.4
125.13249	9.1
127.03925	23.2
129.07021	3.0
130.07780	4.3
131.08522	13.4
133.06514	6.2
133.10117	8.8
135.08080	7.7
135.10052	1.7
135.11702	10.1
137.05988	100.0
137.13243	10.0
139.11143	2.1
139.14804	2.0
143.08667	2.4
144.09340	7.0
145.10129	16.2
147.08073	3.0
147.11691	4.8
149.05986	2.5
149.09618	6.5
149.13281	8.3
151.07542	28.4
151.14824	6.9
155.08551	5.9
157.10126	7.5
158.07289	4.2
159.08060	4.1
159.11697	39.2
161.09627	6.5
161.13257	5.6
163.07536	7.9
163.11205	8.0
163.14825	7.3
165.09111	4.9
165.16400	4.4
167.07082	8.4
169.10129	6.4
171.11679	6.2
172.08820	13.2
173.09633	95.0
173.13202	9.6
175.07648	2.6
175.11183	13.2
177.09134	14.4
177.12708	4.0
177.16417	2.0
179.07033	7.1
179.10641	2.0
179.17989	3.6
183.11696	4.3
185.13280	3.0
186.10349	3.6
187.11192	69.5
188.77240	2.0
189.09151	4.1
189.12715	5.9
191.10686	16.1
191.17966	2.9
193.08615	12.9
197.13167	3.5
201.09070	3.7
201.12747	10.3
203.10666	5.5
203.14346	4.5
205.12260	30.2
215.10684	8.4
215.14331	5.7
217.12230	7.4
217.15962	2.4
219.10307	2.5
219.13840	10.4
225.16432	4.2
226.42862	1.7
227.14627	2.0
229.12338	11.1
229.15900	6.4
233.15344	3.1
243.17456	2.2
245.15343	4.8
247.16945	2.0
257.18967	1.9
261.25790	1.8
271.20578	2.5
275.20166	2.8
275.27057	2.2
277.28989	9.9
293.36859	1.7
317.32050	4.5
335.32901	12.8
341.28271	3.1
355.29828	2.8
383.33109	82.1
397.34680	29.8
401.34171	68.4
419.35242	2.2
425.34250	24.6
443.35248	51.3
452.37259	1.8
461.36212	7.6
464.88788	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.7
55.01871	5.3
55.05517	28.1
55.34629	2.0
57.03434	8.4
57.07059	2.7
61.14003	2.0
62.84679	2.5
65.03931	4.5
67.05511	75.2
69.07072	23.9
70.06569	2.7
70.81209	5.2
71.04993	4.8
77.03939	3.0
79.05500	69.9
79.32716	2.0
81.03432	4.9
81.07059	66.8
83.05000	5.8
83.08624	21.4
85.06547	6.3
91.05488	86.3
93.07051	60.9
95.04994	14.2
95.08616	43.2
97.06538	8.0
97.10185	7.6
99.08086	3.0
103.05463	8.8
105.07042	72.9
107.04970	12.5
107.08603	28.9
109.06525	9.1
109.10175	20.4
111.08068	7.1
115.05454	10.7
116.06172	3.0
117.06242	3.5
117.07027	51.8
119.04943	3.8
119.07803	3.6
119.08594	37.5
121.06504	13.0
121.10156	15.5
123.08065	4.2
125.09630	6.4
128.06209	14.4
129.07024	63.1
130.07793	3.1
131.04965	4.2
131.08583	65.6
133.06496	12.9
133.10152	25.7
135.08032	7.6
135.11713	9.4
137.09654	4.5
139.11171	4.9
141.07001	25.0
142.07814	6.3
143.08565	50.6
145.06499	16.2
145.09032	3.7
145.10129	33.5
147.08043	10.8
147.11685	9.4
149.09621	9.4
149.13231	4.7
151.11206	3.4
153.06975	4.2
153.09102	2.4
154.07770	5.6
155.06068	3.0
155.08575	40.0
156.09274	4.2
157.06471	5.6
157.10132	26.5
159.08093	10.1
159.11728	19.0
161.09608	6.9
161.13322	3.6
163.11198	4.7
165.06989	9.4
167.08575	18.5
168.09462	3.5
169.10149	24.4
171.08070	7.0
171.11688	14.9
173.09642	6.7
173.13269	7.7
175.11240	6.6
177.12805	5.4
178.07759	2.9
179.08582	10.9
181.10135	21.3
182.10800	2.1
183.11703	16.7
185.13217	12.1
187.11246	4.3
187.14902	4.9
193.10123	6.7
193.12115	3.1
195.11716	16.7
195.13583	3.7
197.09709	3.4
197.13239	14.2
199.11276	5.2
199.14857	9.6
203.14363	2.6
204.51196	2.2
205.12325	2.3
207.11650	11.0
209.13300	13.4
211.14830	7.3
213.10938	2.8
213.12857	5.2
213.16347	3.2
215.14435	12.2
217.15945	4.6
219.11588	2.6
219.13779	3.2
221.13333	11.6
223.14844	14.5
225.12766	6.5
225.16467	4.5
227.14340	4.0
231.17628	2.9
235.14867	5.9
237.16425	3.3
239.14381	9.1
241.16022	3.3
249.16342	2.9
253.15805	4.6
257.15479	7.1
267.17374	3.3
271.16989	9.5
285.18546	6.5
287.16772	3.0
289.17944	3.4
305.22482	3.3
315.20938	3.6
323.20410	2.7
323.23636	12.8
329.20465	2.4
333.22125	17.2
341.24683	16.4
349.19800	2.4
351.23245	64.9
359.26254	3.6
369.24246	55.8
370.24875	2.9
387.25348	26.1
407.25775	3.7
415.28250	3.9
425.26907	5.7
443.28000	100.0
461.29037	93.9
484.56207	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	461.2898
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
53.03934	4.1
55.01873	7.3
55.03330	1.0
55.05513	31.5
56.96561	1.2
57.03437	8.7
57.07074	1.2
65.03944	5.1
67.05505	59.8
69.03427	3.4
69.07068	19.7
70.06599	3.9
70.10045	3.0
70.10462	1.9
71.04982	4.8
73.06548	1.2
79.05494	52.0
81.03400	4.0
81.07056	52.2
83.04992	6.6
83.08616	13.6
84.08141	4.1
85.02905	2.1
85.06540	4.8
86.09679	1.4
87.04465	1.1
91.05483	70.4
93.07045	47.2
93.07645	2.5
95.04977	10.3
95.08604	34.3
96.90911	1.1
97.02885	1.1
97.06537	7.7
97.10177	6.9
98.09712	1.2
99.08101	2.1
103.05486	5.2
104.06252	1.3
105.04512	1.8
105.07037	53.2
107.04958	12.4
107.08592	20.3
109.06528	9.5
109.10152	14.4
111.08090	4.4
113.06065	1.2
115.05462	6.4
116.06236	1.1
117.07021	38.7
119.04943	2.6
119.08575	28.4
119.09371	2.1
121.06524	16.1
121.10145	12.7
123.08074	6.1
123.11687	2.2
125.09641	5.8
128.06209	9.9
129.07007	45.6
130.07822	2.2
131.04936	3.1
131.08569	51.0
133.06506	11.0
133.10130	19.1
135.08046	8.3
135.11687	6.1
137.09633	4.5
138.73238	1.3
141.06992	15.9
142.07768	6.2
143.08565	35.3
144.09309	1.8
145.06506	12.2
145.10123	28.7
147.08054	11.0
147.11697	5.4
149.05940	1.5
149.09628	7.3
149.13293	1.5
151.07556	1.5
151.11174	2.1
153.06998	3.0
154.07825	2.1
155.05977	1.2
155.08551	23.9
156.09358	1.9
157.06514	4.1
157.10120	22.2
159.08040	8.4
159.11708	10.6
161.09583	6.1
161.13254	2.7
163.11235	4.3
165.07053	2.9
165.09079	2.0
166.07822	1.8
167.08560	9.0
168.09380	2.9
169.10118	16.0
170.10880	1.9
171.08064	4.5
171.11705	16.0
173.09647	6.1
173.13281	4.5
175.09709	2.1
175.11067	5.3
177.09189	1.2
177.12735	2.1
179.08618	4.8
181.10114	10.4
183.08121	1.2
183.11703	11.5
185.09631	4.1
185.13261	10.3
187.11182	2.7
187.14810	2.9
189.11249	2.5
189.12811	3.1
189.16364	1.8
193.10159	4.4
193.11957	1.1
195.11710	10.4
197.09605	3.0
197.13292	7.8
199.11223	5.9
199.14854	5.5
201.12732	4.6
201.16209	1.2
203.14403	2.0
207.11737	4.4
209.13297	7.6
211.11176	3.4
211.14818	6.5
213.12726	9.5
213.16330	2.4
215.14374	5.3
217.15875	3.2
219.13916	1.4
221.13277	6.1
223.14906	7.4
225.12808	4.0
225.16414	2.6
227.14342	4.1
227.17847	1.3
229.16003	2.3
231.13797	2.0
231.17430	2.6
233.13385	1.9
233.15482	2.6
235.14925	2.4
237.12709	1.4
239.14365	4.1
241.15759	2.0
243.13872	1.8
245.15417	2.9
247.16998	1.3
249.16713	1.6
253.15903	3.8
257.15308	5.3
259.16965	2.7
261.14908	1.2
267.17477	2.1
271.16992	6.3
273.18658	1.5
275.16476	2.0
285.18588	2.6
289.18018	1.4
305.22617	2.0
315.20880	1.6
323.23788	7.6
333.22168	10.4
341.24692	13.7
351.23193	39.0
352.23807	1.3
359.25885	2.3
364.43695	1.3
369.24255	72.2
387.25287	42.3
407.25919	2.2
415.28421	2.8
417.26035	1.3
425.26941	5.1
433.29367	2.2
443.18979	1.7
443.27933	91.2
461.29004	100.0
462.29355	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40972	20.7
58.03939	21.5
59.89587	22.1
67.05532	31.4
69.29826	20.1
70.90487	29.6
70.90825	38.0
79.05479	37.9
81.07048	45.0
81.44570	20.9
89.35091	24.4
90.92155	21.7
91.05476	42.8
91.16125	22.6
93.07041	34.4
95.08619	29.4
105.07030	33.0
107.08569	22.9
109.10113	21.3
119.08559	98.5
121.06504	100.0
123.47292	20.8
197.52130	21.8
204.10298	22.1
248.45341	21.5
277.17551	26.3
300.29062	29.1
337.67978	22.1
456.09161	23.6
460.29880	38.5
460.35947	42.8
475.13074	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	461.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01873	1.6
55.05505	0.8
55.87407	0.3
56.05036	2.8
57.03423	0.6
58.06591	1.0
60.04535	2.0
61.01138	1.2
68.05025	1.0
69.03423	1.3
69.07081	2.2
70.02961	0.4
70.06598	8.9
71.04986	0.7
71.33914	0.2
72.08160	4.4
73.02913	0.6
73.08517	0.3
74.02438	0.3
74.06075	1.3
77.03933	0.4
79.05074	0.4
79.05498	4.7
81.03415	0.5
81.07078	0.3
82.06567	0.3
83.06077	0.4
84.04507	2.7
84.08146	7.1
85.02911	4.5
85.03969	0.3
85.08477	0.7
86.06090	1.9
86.09709	26.3
87.04475	0.4
87.05583	1.1
87.10035	0.6
88.03982	1.7
91.05501	1.8
95.04949	0.7
97.02897	1.0
98.02411	0.5
98.09699	1.8
101.07166	0.5
102.05537	1.4
103.05471	3.5
104.05330	1.0
105.07036	33.5
107.04958	16.1
109.02859	0.5
110.07164	1.2
112.08738	0.5
112.11285	0.4
113.07122	0.3
114.04821	0.3
114.05542	0.7
115.03957	0.4
115.05454	2.1
115.08724	0.4
117.07021	0.8
118.11503	0.3
119.04942	0.6
120.08132	1.1
121.02847	0.5
121.06458	1.4
126.05489	0.4
127.03918	1.0
128.10724	0.6
129.07025	0.6
129.10229	3.7
130.05042	0.7
131.04930	2.3
132.05771	0.3
132.10172	1.1
133.06496	100.0
134.04507	0.4
134.06833	0.5
135.84917	0.4
136.07585	1.6
138.05519	0.3
140.14354	0.6
141.06740	0.2
141.13795	0.3
143.04486	0.3
145.04858	0.3
145.06491	7.2
146.05951	0.3
147.04393	0.8
147.07635	0.8
148.06085	0.8
149.05980	3.8
153.06592	0.3
155.08191	0.3
157.06516	2.7
158.11812	0.3
158.15416	0.4
159.08043	0.3
169.13362	0.5
171.07611	0.4
173.12856	3.6
174.05763	0.3
175.07561	0.3
181.06195	0.3
183.11246	0.4
185.05695	0.4
187.07486	0.7
187.10788	0.6
187.14426	0.7
197.12888	1.2
199.07262	0.3
199.18076	0.4
201.12338	2.7
203.08612	0.3
215.13930	3.4
217.08231	0.8
219.13419	1.5
229.11896	0.6
230.07631	0.5
231.08020	0.5
232.98833	0.3
233.15005	0.6
243.13441	2.6
251.10687	3.9
261.14423	2.5
263.10638	0.9
281.11710	0.3
299.05450	0.5
312.15723	0.5
314.20749	0.6
328.15549	0.3
329.14731	0.6
330.16470	1.5
330.20258	0.3
347.96335	0.3
348.17569	0.7
443.19354	0.5
460.75360	0.3
461.15106	0.7
461.19952	15.8
461.24942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
55.05512	13.1
56.05037	3.7
57.03445	1.3
57.05831	0.9
58.06585	0.9
58.60344	0.6
60.04519	1.9
67.05492	1.1
68.05025	0.8
69.03429	1.5
69.07069	3.3
69.46359	1.5
69.46762	2.9
69.73052	0.7
70.02955	11.3
70.06597	13.2
71.04996	2.5
71.06932	0.8
71.07316	0.6
72.08157	100.0
73.02912	0.9
73.08509	0.8
74.06076	5.1
81.03408	0.8
81.07050	0.6
83.04993	0.8
83.06117	1.5
84.04514	7.3
84.08150	17.4
85.02905	4.0
86.06076	2.1
86.09708	41.2
87.04482	0.8
87.05591	21.8
87.10045	0.7
88.03997	21.0
88.59403	0.6
90.05537	0.8
91.05482	2.6
93.07045	0.6
96.03973	0.7
96.04470	3.0
96.08117	0.6
97.02896	1.3
97.04008	6.8
98.02414	12.3
98.06083	1.5
98.09702	6.2
98.56606	0.7
99.05590	0.9
99.10031	1.3
101.07145	1.9
102.05592	0.7
105.07044	4.0
106.35509	0.6
107.04967	1.0
109.02843	0.9
110.07199	2.0
110.09709	0.8
112.03965	1.1
112.07626	1.0
112.08723	0.9
113.07143	2.2
114.05556	5.1
115.05084	2.3
115.08698	1.1
119.02967	0.7
119.04952	1.0
119.08234	1.1
120.08128	2.0
121.06565	0.9
124.03995	1.5
124.07576	1.3
125.03507	1.9
126.12766	0.7
127.08727	1.7
129.10233	9.5
130.05029	3.4
131.08098	0.7
131.11821	1.9
132.10210	3.7
133.06493	3.6
136.07597	1.5
139.05008	6.0
140.03563	0.7
140.07092	2.0
140.08127	0.6
140.14334	4.1
141.06577	2.9
141.10280	2.5
142.06085	1.4
142.08646	2.0
143.04521	20.0
143.11765	1.5
147.04457	1.3
147.07700	1.6
151.08765	0.9
152.07057	3.4
156.07687	0.8
157.06097	6.8
157.09724	0.7
158.09306	1.8
158.15456	0.8
159.07678	0.8
167.04530	9.9
168.06613	2.5
169.09740	1.4
171.04028	1.3
173.12866	2.0
183.11357	1.0
184.07205	14.3
185.05579	13.9
187.10785	7.6
187.14449	2.2
190.12378	0.7
195.04088	1.2
196.02438	0.6
197.12930	1.2
200.13994	1.8
201.12437	1.2
202.08235	17.9
202.10045	1.2
212.06731	2.4
213.05089	3.0
214.15488	0.7
215.10307	1.7
215.13858	3.0
219.02974	1.0
224.10274	6.0
225.12273	1.1
228.13487	1.5
230.07730	53.2
230.11453	1.6
231.17050	12.1
233.14876	0.8
242.14972	4.2
242.18616	0.8
243.13408	0.7
244.09380	0.8
246.14597	1.6
249.08777	2.7
266.11496	2.6
266.58383	0.6
267.09821	1.3
270.10846	4.4
283.14084	1.0
284.12503	2.4
294.10843	2.1
301.15097	4.9
311.13455	3.1
312.12012	4.3
329.14566	45.5
330.12958	1.3
341.02634	0.7
361.02057	0.9
386.72235	1.0
459.75284	2.2
460.20963	1.7
460.31348	1.7
461.20172	1.7
485.11487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.01868	0.8
55.05508	3.2
57.03438	0.9
57.07057	0.6
57.97581	0.3
61.02907	0.3
65.03922	0.5
67.05510	5.6
68.70701	0.4
69.03415	0.6
69.07076	2.8
69.19044	2.3
69.19462	1.3
70.06590	4.0
71.04978	1.4
71.06926	0.5
72.08153	0.4
73.02921	0.7
79.05491	2.1
81.03406	1.0
81.07058	6.8
82.47095	0.4
83.04961	0.7
83.08619	1.9
84.08148	1.9
85.02914	2.2
86.09702	0.7
91.05482	3.5
93.07053	3.6
95.04971	1.3
95.08602	4.5
97.02879	0.5
97.06530	0.5
97.10168	2.3
98.09698	6.9
99.10003	1.2
103.05454	1.2
105.07055	3.4
107.04960	0.9
107.08614	2.3
109.02928	0.5
109.06537	0.5
109.10164	7.0
117.07016	1.7
119.02258	0.3
119.04901	0.7
119.08587	4.2
121.06504	9.2
121.10145	0.8
122.07250	1.3
123.04381	0.4
123.08048	0.6
123.11729	1.1
125.05984	0.4
125.09641	1.3
127.03909	0.5
129.06999	0.6
129.10184	0.5
131.08537	1.5
131.15794	0.5
133.10149	1.1
135.08055	1.2
135.11742	0.9
137.09622	11.1
140.14346	2.5
141.14662	0.6
143.08575	0.7
145.06499	0.4
145.10124	1.1
147.04417	0.8
149.09616	1.5
149.13278	0.7
151.07529	0.6
151.14819	0.6
155.08487	0.4
157.10114	1.0
158.15419	0.7
159.08086	0.5
159.11705	0.9
163.11156	0.6
165.09116	100.0
166.09457	0.8
172.66005	0.4
173.09705	0.6
173.13257	0.5
174.12735	0.5
175.11198	0.8
175.14896	0.6
177.09091	1.1
178.12686	0.4
179.10722	0.8
185.09657	0.4
189.11212	0.6
189.12753	1.2
191.10576	0.4
193.12256	0.5
195.11755	0.4
197.13200	0.6
203.10683	0.7
203.14322	0.4
205.12259	3.0
206.17981	0.5
215.14299	1.4
227.12799	0.8
231.13960	0.3
275.83151	0.4
313.19525	0.6
367.22684	1.3
367.27390	0.4
385.23587	1.3
385.71902	1.2
386.22284	1.2
403.24771	0.6
413.34183	0.9
418.15118	0.6
432.23642	1.1
441.25922	2.1
441.33575	1.6
458.74802	2.2
459.26642	6.2
459.32620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01871	1.9
55.05513	6.6
56.05033	0.9
57.03436	2.2
61.02952	0.6
65.03956	0.9
65.04308	0.4
67.05508	19.3
69.03433	4.8
69.07070	2.2
69.85140	2.6
69.85519	1.1
70.06597	10.4
71.05003	5.3
72.08155	1.6
73.02920	0.8
74.06097	0.6
79.05496	5.0
81.03423	14.4
81.07063	13.5
82.06510	0.9
82.10847	0.5
83.04988	1.6
83.08620	1.4
84.04498	1.2
84.08148	6.9
85.02907	6.4
85.08470	0.6
86.09702	2.9
87.04530	0.6
88.03994	0.6
90.05060	0.6
91.05486	4.4
93.07047	6.2
94.06582	0.8
95.04977	4.6
95.08613	10.1
96.04488	0.9
97.02901	3.6
97.06525	1.9
97.10155	0.8
98.06064	100.0
98.09700	11.9
98.21464	1.1
99.04459	2.7
99.10039	0.7
103.05460	1.4
105.07037	4.1
107.04957	1.3
107.08607	4.5
108.04487	0.6
109.02892	13.0
109.06547	2.6
109.10167	41.1
110.06046	1.0
110.07159	0.8
111.04461	1.0
111.08139	0.7
112.08727	0.6
114.05550	1.5
117.06995	1.9
119.04945	0.9
119.08596	4.8
120.08139	0.9
121.06510	8.3
121.10163	2.2
123.04453	0.7
123.08089	1.5
123.11731	2.0
125.06001	1.6
125.09639	0.8
126.12785	0.9
127.03934	6.2
128.06186	0.6
129.05441	0.5
129.07021	1.1
129.10248	1.1
130.05008	0.7
131.08551	2.0
133.06485	1.2
133.10152	2.0
135.08099	2.2
135.11737	0.8
136.06168	0.6
136.07611	1.3
137.09627	89.6
138.10040	0.9
140.07132	3.1
140.14351	4.8
141.14726	1.1
143.08549	0.9
145.06453	1.2
145.10162	1.7
146.05959	0.6
147.04495	2.6
147.08040	1.2
147.11703	1.1
149.09641	1.0
150.09132	1.5
151.07564	5.8
155.10696	5.4
158.15363	0.9
159.08038	1.3
159.11652	0.9
159.15736	0.6
161.09622	0.9
163.07495	0.8
163.14720	0.6
165.09125	67.6
166.09563	0.6
171.11650	1.0
173.09676	0.6
173.13269	1.6
175.11266	0.5
175.14818	1.0
183.10162	5.1
187.11157	0.6
191.10687	2.4
191.14331	0.9
192.83928	0.6
193.16000	0.8
195.11737	0.6
199.11366	0.6
200.07362	0.5
201.11244	9.5
205.12259	0.7
216.10292	2.6
217.12134	0.9
227.16423	1.7
263.12631	1.0
273.14560	0.7
291.12277	4.7
304.18777	0.7
309.13348	36.3
327.14426	10.9
345.15314	2.1
345.19348	0.7
367.22650	1.6
376.56128	0.6
385.23367	1.7
385.71967	3.3
386.21918	1.8
387.81836	0.6
422.12317	0.8
424.19687	2.6
442.20770	5.8
458.74695	5.2
459.27988	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	459.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75637	2.2
53.03957	6.2
55.01875	14.5
55.05522	12.4
56.05043	4.1
57.03440	9.7
57.07076	5.2
65.10110	2.6
67.05512	29.1
69.03448	17.0
69.07069	18.5
70.06597	24.5
70.76170	4.7
71.01360	2.7
71.04998	26.2
71.86199	2.6
72.08171	5.5
73.02919	3.5
76.35008	2.9
79.05498	23.9
81.03409	18.3
81.07048	38.3
83.04970	6.8
84.04493	6.4
84.08141	32.3
85.02911	30.1
85.06543	22.7
85.08472	2.8
86.09707	15.0
91.05493	21.4
93.07049	49.3
94.07387	3.1
95.04983	15.0
95.08605	16.9
97.02893	8.5
97.06554	18.8
98.09698	64.0
99.04477	20.7
99.10019	7.7
103.05432	4.9
105.07041	41.8
106.21165	2.5
107.04958	6.0
107.08601	76.6
109.02861	6.9
109.06525	18.1
109.10163	11.1
110.07175	5.7
111.04453	8.4
111.08089	8.1
113.06044	21.1
117.07037	11.3
119.04947	4.6
119.08605	19.8
120.08123	4.3
121.06517	37.9
121.10143	50.9
122.09670	3.7
123.04459	3.1
123.08073	14.6
123.11708	2.9
126.12817	5.9
127.03941	12.5
129.05518	4.4
129.10278	3.3
131.08615	5.4
133.10170	5.3
135.04391	2.9
135.08055	14.9
135.11703	18.7
136.06273	2.9
136.07571	4.0
137.06023	3.9
137.09615	3.8
139.07616	2.7
140.14339	34.0
141.14688	7.8
143.08586	4.4
145.02925	3.3
145.10124	39.0
147.04411	15.2
147.11729	9.6
148.04724	3.7
149.09642	19.4
150.09109	15.6
151.07558	22.7
158.15359	6.0
163.07472	3.3
163.11195	89.8
165.09126	17.1
167.10672	39.7
168.46165	2.8
169.08615	78.9
173.09637	9.2
179.07063	9.1
181.12233	39.3
185.11699	24.5
191.10661	72.7
197.08130	6.2
205.12280	4.1
209.11728	59.0
209.13646	3.2
227.12801	100.0
245.22914	2.6
312.69000	4.6
313.19348	3.0
335.15442	2.7
353.16025	3.4
385.71921	16.8
386.22324	11.4
399.34406	2.6
423.19864	4.2
458.74661	32.7
459.21548	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	459.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25758	0.9
53.03942	1.7
55.01867	1.7
55.05514	8.0
56.05017	1.2
56.34904	0.8
57.03424	2.9
57.07069	2.1
59.05001	2.0
60.91633	0.9
61.02918	1.4
65.55998	0.9
67.05511	16.8
68.99764	0.8
69.03429	9.1
69.07070	14.5
70.06595	10.2
70.25566	1.7
70.25941	1.9
71.04995	7.4
72.08157	3.4
73.02919	1.1
74.06083	5.0
79.05496	3.8
81.03436	4.7
81.07063	18.6
83.04987	8.0
83.08617	5.9
84.04497	2.4
84.08150	7.8
85.02909	16.1
85.06517	2.9
86.03188	1.0
86.06077	1.0
86.09709	26.3
87.00813	4.5
91.05487	5.9
93.07036	10.9
93.71769	0.9
95.04954	1.7
95.08613	31.7
97.02891	4.4
97.06515	1.3
97.10181	1.8
98.09695	14.3
99.04462	1.9
99.08070	3.2
99.10011	2.0
103.05418	1.7
105.01859	2.1
105.07033	7.6
107.08595	21.0
107.67583	0.9
109.02884	2.6
109.06527	7.3
109.10162	95.2
110.07144	0.9
111.04506	0.9
111.08093	1.8
113.09663	1.9
114.05497	2.4
115.05844	1.0
117.07022	0.9
119.04921	1.0
119.08586	37.6
120.08082	2.1
121.06513	14.3
121.10152	12.2
123.08069	12.5
123.11711	8.4
125.09653	1.7
126.12803	1.3
127.03917	6.3
129.05389	1.1
129.10229	2.1
132.10187	1.1
133.10139	19.7
135.11697	100.0
136.06160	1.8
137.09613	14.6
139.11137	2.3
140.14352	6.1
145.04987	1.6
145.10091	1.6
147.04414	4.0
147.11688	1.5
149.13252	6.1
151.11200	7.1
151.14827	9.7
153.12740	2.9
158.15411	1.2
159.02921	1.1
165.16394	2.8
175.14839	45.9
184.23500	0.9
191.33986	0.9
193.15895	69.7
211.16946	77.8
227.13933	2.5
233.14943	4.3
310.17633	0.9
316.13538	1.3
328.22134	1.2
385.71967	2.7
386.22021	1.3
389.17288	1.1
441.21918	1.7
441.27606	1.3
450.18210	1.3
458.74811	7.3
459.25040	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.05515	10.7
57.03432	0.7
60.30547	0.6
65.03941	1.1
67.05509	12.5
68.05042	1.1
68.58258	0.7
69.07076	6.7
69.16558	6.6
69.16960	1.8
70.06597	12.7
71.04985	3.0
73.72994	0.7
79.05073	1.0
79.05497	11.5
80.05019	0.9
81.03362	0.8
81.07060	17.8
83.04977	1.2
83.08629	2.6
84.08137	3.4
85.02921	3.4
85.06548	1.1
86.09722	0.7
87.79969	0.7
91.05491	14.5
93.07050	11.7
95.04948	1.5
95.08613	11.1
96.08902	0.7
96.36887	0.8
97.10163	1.2
98.09700	9.7
103.05463	1.2
104.06227	0.9
105.07044	14.6
107.08602	9.8
108.08146	1.2
109.10146	4.6
111.08066	0.9
115.05456	1.9
116.06229	0.8
117.07023	18.7
119.08590	14.9
120.08092	2.2
121.06490	0.9
121.10155	4.3
123.08066	1.5
123.11749	1.5
128.06236	1.4
129.05447	0.9
129.07018	5.8
130.07799	1.9
131.08578	20.2
132.08076	1.0
133.10138	6.8
134.09676	2.6
135.11731	2.0
137.11995	0.8
140.14328	5.1
143.08554	6.4
144.09320	0.9
145.10127	25.6
146.09666	2.6
147.04399	2.6
147.10568	1.3
147.11702	3.3
148.11230	2.4
157.10152	5.2
158.09666	1.4
158.10884	1.5
158.15347	1.1
159.11703	14.1
159.55670	0.8
160.11227	3.3
161.12007	2.1
161.13243	1.3
170.09636	1.4
171.10460	0.9
171.11717	4.5
172.11205	2.8
173.11943	1.3
173.13261	7.9
174.09245	0.8
174.12767	6.0
174.14064	0.9
177.05614	0.7
180.71323	0.9
181.10002	0.9
183.11765	1.4
184.11252	0.9
185.13277	2.5
186.12796	1.8
187.08029	0.8
187.14867	5.6
188.14400	1.0
198.12726	1.1
199.14886	1.5
200.14360	4.1
201.16525	4.5
212.14375	2.0
214.15948	3.2
226.15913	1.6
228.17482	4.2
229.18231	2.9
230.19087	5.5
240.17528	1.2
254.18939	1.2
265.36151	0.9
302.21182	0.9
304.19162	1.5
332.63815	0.8
339.72345	0.8
343.26328	31.5
345.41483	0.8
385.21811	2.6
391.86407	1.0
412.32129	100.0
413.32401	2.1
458.24905	7.0
458.32651	17.7
458.74808	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01857	2.2
55.05522	8.4
56.05038	1.1
57.03433	1.4
57.07066	2.4
59.04995	1.1
61.02911	1.0
67.05511	17.9
69.03426	11.0
69.07076	11.0
70.06591	11.1
70.17432	2.1
70.17823	2.6
71.04665	0.9
71.04998	7.1
72.08144	1.2
73.02911	2.4
79.05505	5.0
81.03410	4.0
81.07057	18.4
83.04989	9.6
83.08612	6.3
84.04504	1.2
84.08166	8.1
85.02904	12.2
85.06548	2.9
86.09711	8.6
87.00838	2.6
88.04002	1.1
91.05486	5.4
93.07042	12.6
94.82943	1.0
95.04987	2.8
95.08613	24.9
96.04514	2.2
97.02888	4.1
97.06536	1.4
97.10220	1.1
98.09696	13.7
99.04465	1.8
99.08099	4.4
101.06052	0.9
103.05468	1.3
105.07036	10.3
107.08596	24.0
109.02870	3.8
109.06509	9.0
109.10164	84.4
110.10513	1.6
111.08051	2.0
113.09644	1.9
114.05536	18.5
115.05884	6.2
117.06992	1.8
119.08590	30.4
120.08127	2.1
121.06515	7.8
121.10123	13.0
123.08070	13.4
123.11720	7.3
125.09541	0.9
126.12778	1.3
127.03942	7.4
129.10228	4.5
131.08646	1.5
132.10292	1.1
133.10136	18.4
135.11696	81.4
136.06218	2.1
136.11983	1.3
137.09631	16.6
137.13309	1.3
139.11174	2.8
140.14345	5.7
145.04997	1.5
145.10130	3.1
146.05977	1.1
147.04402	2.3
147.11693	1.6
149.05910	1.4
149.13257	6.0
151.07582	1.9
151.11188	7.9
151.14836	12.5
153.12773	3.1
156.91618	1.0
157.13309	1.5
163.11189	3.6
165.09116	1.5
165.16405	2.4
173.09749	1.0
174.18661	1.1
175.14838	35.9
191.10683	2.7
193.15897	45.0
193.17668	2.2
194.16205	1.3
211.16942	100.0
212.17212	1.5
261.22974	1.0
283.15332	1.4
334.32480	1.0
385.71713	4.8
386.22397	2.2
406.14761	1.0
434.95554	1.0
458.74857	5.9
459.19113	1.9
459.25348	6.0
459.30408	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
51.77508	2.8
53.27514	3.2
55.05502	6.2
57.07067	6.0
58.64035	3.0
58.85117	3.1
61.65009	2.8
62.19704	3.5
67.05506	9.3
69.07066	7.8
79.05489	8.4
81.07054	14.7
90.47723	2.9
91.05459	8.5
93.07028	13.7
95.08607	24.5
98.09705	3.3
98.21530	7.4
99.84907	2.8
104.83961	2.7
105.07019	12.3
107.08607	23.9
109.10191	16.4
119.08556	17.5
121.10166	25.0
123.11698	10.6
131.08540	5.4
133.10098	10.9
135.08057	4.6
135.11707	13.2
145.10117	5.2
147.11673	10.8
149.09637	25.5
149.13255	3.9
151.11148	3.7
155.35928	3.1
157.10155	5.3
159.11653	7.1
161.09656	6.0
161.13162	3.4
163.11153	7.5
163.14835	7.4
165.12776	9.7
173.13258	3.9
175.11230	4.4
175.14816	5.7
187.14807	5.6
189.16437	7.6
191.14334	4.0
191.17995	26.3
198.55455	3.2
207.17184	3.1
217.15918	7.8
229.15321	3.8
249.27803	3.7
257.22556	8.5
269.22598	6.0
421.34625	58.8
422.34705	4.6
437.96643	3.6
439.29999	6.0
439.35764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05528	0.2
56.05055	0.2
57.03456	0.3
57.44374	0.1
67.05517	1.4
68.05043	2.0
69.03441	2.5
69.07097	0.1
69.74032	0.6
69.74438	0.2
70.06607	0.7
71.05007	5.5
72.08170	0.4
72.24033	0.1
79.05513	0.2
81.03439	0.9
81.07072	0.9
82.06622	0.2
84.04523	1.6
84.08158	0.5
85.02924	1.0
86.06089	0.4
86.09721	0.7
87.04478	0.2
90.99600	0.1
91.05520	0.2
93.07066	0.4
95.08628	0.4
96.04505	4.9
97.02914	1.8
98.09705	2.4
107.08630	0.3
108.04504	0.4
109.02939	0.5
109.06519	0.2
109.10180	2.3
110.06052	0.2
114.05548	100.0
115.05904	0.3
119.04943	0.1
119.08588	0.2
120.08080	0.1
121.06515	0.1
126.05533	0.2
126.12817	0.3
127.03933	0.4
129.05476	0.2
133.10135	0.2
134.10423	0.2
137.09636	4.8
138.05487	0.3
140.14368	1.0
147.04500	0.3
155.10716	0.2
156.06595	2.0
158.15378	0.2
165.09142	2.1
180.06473	0.1
183.10130	0.2
200.00052	0.1
204.06554	0.2
213.16003	0.2
222.07605	0.2
240.08611	0.2
304.19064	0.2
309.13193	0.4
315.13208	0.4
327.14261	0.4
385.21707	1.1
422.18005	0.2
440.19037	1.4
458.19843	5.7
458.24664	0.6
458.74475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3315
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
52.72955	1.7
55.01868	3.4
55.05518	13.3
57.03445	3.4
57.07075	5.1
61.02926	1.8
67.05515	25.0
69.03422	5.4
69.07078	20.8
69.28581	17.4
70.06602	12.4
71.04989	4.9
72.08137	2.9
79.05497	19.9
81.03407	5.7
81.07068	41.3
83.04993	2.1
83.08643	13.7
84.08148	11.6
85.02900	6.0
85.06534	7.5
86.09690	3.2
89.14476	1.7
91.05486	23.8
93.07050	42.3
94.83401	1.8
95.04967	4.2
95.08618	68.8
97.06525	3.3
97.10149	5.3
98.09687	5.6
103.05463	3.4
105.07040	58.5
107.04938	2.8
107.08606	68.6
109.02917	4.1
109.06493	6.4
109.10156	40.2
110.07161	2.5
110.36024	2.0
111.08089	5.3
117.07014	7.4
119.08591	69.5
120.08139	2.1
121.06519	20.6
121.10151	53.7
123.08082	7.3
123.11696	15.8
125.09655	4.1
129.06981	4.2
131.08586	26.9
133.10138	52.0
135.08086	8.6
135.11702	27.1
137.05971	12.5
137.09656	6.1
137.13312	4.0
140.14418	4.9
142.07776	2.2
143.08557	7.6
145.10124	36.4
147.04482	2.7
147.08043	5.1
147.11697	33.4
149.09605	7.1
149.13271	40.9
151.07530	2.8
151.11211	2.4
153.09137	6.8
155.08530	2.7
157.10182	9.4
159.11700	20.3
161.09650	13.8
161.13257	33.5
163.11192	12.8
163.14841	42.8
163.16129	3.5
165.09126	20.3
171.11691	8.1
173.13263	22.7
175.11276	2.5
175.14838	29.7
175.16286	2.6
177.09145	6.3
177.12694	3.7
177.16406	32.8
179.10704	2.7
179.14293	3.9
183.11612	2.8
185.13264	8.9
187.14835	50.3
189.12764	14.7
189.16397	50.9
191.14320	15.1
191.17931	10.7
193.15851	3.5
194.79474	2.2
197.13263	2.5
199.14854	6.5
201.04248	2.9
201.14627	3.4
201.16394	34.6
203.14267	7.3
203.17973	100.0
205.12285	2.9
205.15895	16.4
205.19583	3.2
207.13857	9.5
213.16333	7.2
215.14275	3.5
215.17932	11.4
217.15872	4.9
217.19617	2.6
219.17438	5.0
221.15384	4.4
227.17967	4.1
229.19475	4.1
230.19093	10.9
231.13910	2.2
231.19411	8.6
231.21344	2.7
232.30367	2.1
235.13266	3.6
235.16957	8.6
241.19510	3.0
243.17297	2.4
247.16916	9.5
249.18535	3.5
253.14186	2.7
255.21082	2.7
261.18542	5.6
263.20163	5.8
295.12061	6.8
296.21393	2.0
309.25784	4.6
337.28918	2.6
375.30493	8.6
383.33322	4.0
393.31631	27.7
395.33075	5.8
411.32632	47.2
413.34189	3.8
421.30957	8.9
439.32260	17.0
457.17331	4.4
457.33328	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
50.93034	0.8
55.05496	2.7
57.07081	2.0
62.52980	0.9
67.05508	5.1
69.07070	3.9
69.30518	7.6
70.06580	0.8
79.05498	1.8
80.96836	0.8
81.07052	12.0
83.08616	2.1
91.05479	2.3
93.07027	4.4
95.07985	1.1
95.08605	20.4
102.24826	0.9
105.07037	1.7
107.08586	5.4
109.10158	12.7
111.11658	0.9
119.08546	4.6
121.06512	8.6
121.10141	4.9
123.08054	2.7
123.11729	5.6
125.09611	1.6
131.08598	1.2
133.06531	1.2
133.10112	2.8
135.08061	4.0
135.11668	2.0
137.09621	1.6
137.13283	4.6
139.11212	1.0
143.08546	1.1
145.10150	2.6
147.08040	2.6
147.11707	2.6
149.09604	3.4
149.13245	1.3
151.14818	2.4
157.10124	1.1
159.08043	3.5
159.11696	2.5
161.09612	3.2
161.13290	1.3
165.16425	0.8
173.09596	1.9
173.13310	1.7
175.11166	2.6
175.14836	1.1
187.11162	2.8
187.14812	1.4
189.12729	1.7
201.12729	3.2
209.13266	1.4
215.14218	1.0
215.17947	1.8
224.85542	0.9
225.16377	0.9
228.15141	1.3
229.15880	2.2
243.17494	6.4
261.18524	5.5
301.21698	1.2
310.65759	1.0
362.19006	0.8
372.68738	1.0
403.33707	0.8
408.27023	1.0
421.34723	1.1
439.35754	100.0
440.35880	2.8
457.37360	4.7
457.42346	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	457.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.05513	1.4
56.05045	0.4
57.03438	0.3
60.04512	0.4
60.29781	0.3
60.33511	0.3
61.02931	0.5
67.05502	2.7
69.03452	0.7
69.06722	0.4
69.07065	2.9
69.57917	2.1
70.06590	2.4
70.99307	0.3
71.05002	0.8
72.08144	0.3
79.05497	1.1
81.03427	0.6
81.07056	4.8
83.04997	0.6
83.08603	0.4
84.04514	0.4
84.08160	1.7
85.02905	0.9
86.06099	0.4
86.09709	100.0
87.10037	0.6
91.05497	1.8
93.07045	2.3
95.08617	4.0
97.02919	0.4
97.10172	0.7
98.09701	1.4
99.04522	0.4
101.36482	0.3
105.07021	1.7
107.04955	2.3
107.08607	2.3
108.08111	0.4
109.02879	0.6
109.06512	0.8
109.10170	4.5
110.07186	0.4
110.09705	0.4
117.07014	0.4
118.26167	0.3
119.08577	2.5
120.08031	0.4
121.06502	0.9
121.10135	1.8
122.07291	0.6
123.08073	0.5
123.11735	1.6
128.10721	11.6
130.05029	0.7
131.08617	0.7
132.10210	7.6
133.10136	0.9
135.08089	0.4
135.11690	0.7
137.06012	0.5
137.09612	5.6
137.13246	2.6
140.14326	1.0
143.08643	0.4
143.11815	5.4
145.10115	0.5
147.04416	0.7
147.11726	0.6
148.11285	0.3
149.09621	1.4
149.13281	1.0
151.07559	0.8
151.11220	0.4
156.10248	2.9
158.15448	0.5
159.11729	0.6
161.09642	0.4
161.13251	1.4
163.11206	0.3
163.14790	0.5
165.09120	45.9
171.11287	8.4
173.13170	0.4
175.11201	0.5
175.14871	0.5
177.05530	0.4
177.08989	0.7
177.16423	0.4
189.12372	7.8
190.78951	0.3
191.10622	0.7
201.16362	0.4
203.10713	0.3
205.12251	1.7
217.15794	0.5
219.21310	0.3
220.13576	0.4
231.21030	0.4
235.16945	1.0
238.14410	0.4
257.18481	1.0
269.18616	7.3
284.19818	0.7
301.17532	1.0
302.20764	12.8
305.24899	2.8
326.20752	3.8
385.21838	0.8
413.28140	0.4
457.26337	0.6
457.32477	0.4
458.24881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
55.05515	8.0
57.03431	2.9
57.07067	3.5
67.05506	8.3
69.03430	1.5
69.07079	7.1
71.04990	2.0
71.08635	2.5
71.51854	1.3
79.05501	6.7
81.07062	13.9
82.66953	1.2
83.05001	3.3
83.08630	2.1
85.06545	2.1
91.05501	3.6
93.07066	8.7
95.08611	12.5
97.06548	4.2
98.20796	1.3
99.08102	2.2
105.07037	6.4
107.08585	10.6
109.06522	7.8
109.10170	4.9
111.04441	17.8
111.08094	2.5
112.37046	1.1
117.07038	1.7
119.08583	7.3
121.06501	2.2
121.10174	5.1
123.08061	14.0
123.11699	1.3
125.05991	13.5
129.07079	1.3
131.08586	2.1
133.10130	4.0
135.08072	5.4
135.11697	7.0
137.05992	13.6
137.09642	2.2
137.13272	1.9
139.11310	1.2
143.08563	1.6
145.02766	1.2
145.10155	5.8
147.11688	3.4
149.09656	3.6
149.13229	2.1
151.07538	2.3
151.11159	1.4
153.12816	3.4
157.10162	1.8
159.11690	2.3
161.09596	1.9
163.11177	3.5
165.12817	1.4
167.14365	1.9
177.12825	1.5
179.10718	1.3
179.14336	20.9
181.12244	9.1
191.14333	1.3
193.15993	2.2
195.13800	7.2
223.53941	1.3
231.17494	1.8
235.20001	1.4
249.18488	1.5
277.18115	1.5
303.26801	2.5
305.24695	1.3
331.26382	11.5
347.26077	1.6
423.31104	100.0
424.31577	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37416	0.9
53.03942	2.1
55.05505	5.3
57.07067	1.8
67.05498	5.1
69.03435	12.8
69.07076	8.9
70.06590	6.2
70.52793	2.4
70.53135	1.5
71.04994	5.9
72.08176	5.3
73.02902	1.4
77.03945	1.2
79.05511	5.2
79.05910	1.0
81.03421	7.0
81.07057	9.0
83.04987	9.9
83.08622	2.6
84.08140	3.6
85.02911	13.8
85.06564	1.6
86.09710	15.9
87.00344	1.2
87.00826	4.9
90.75566	1.1
91.05471	4.2
93.07050	6.9
95.04976	4.1
95.08061	1.8
95.08614	19.8
97.02888	4.4
97.06519	3.1
98.09698	4.0
99.04449	2.1
99.08082	4.7
105.01866	2.4
105.07016	6.5
107.04931	1.9
107.07879	1.8
107.08596	29.5
107.71477	1.1
109.02864	3.8
109.06528	18.3
109.10157	20.6
111.08124	2.6
113.09701	1.3
119.08562	3.8
121.06488	4.5
121.10138	31.1
122.07252	1.9
123.08072	7.5
123.11725	3.1
125.09622	11.1
127.03931	7.8
131.08586	5.5
133.10138	12.4
135.08037	18.4
135.11685	5.7
137.09642	12.1
139.11182	4.5
140.81348	1.1
145.04959	3.1
145.10126	3.8
147.07970	1.0
147.11696	10.2
149.09622	9.5
149.13269	17.6
151.11185	75.3
153.09105	3.3
158.10909	2.0
159.02864	2.7
163.14819	15.2
165.12738	5.3
173.13300	16.3
185.16425	3.6
191.12512	2.2
191.14311	93.2
209.15372	100.0
210.15646	1.1
213.15979	4.3
227.17538	1.2
231.05023	1.9
245.18605	3.5
254.93462	1.1
267.23380	1.3
345.63934	1.2
457.21744	25.4
471.86761	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01870	2.3
55.05506	1.4
57.03426	1.5
57.07079	0.8
59.05007	0.4
61.02943	0.9
64.61839	0.5
67.05496	2.0
68.99777	0.7
69.03432	9.6
69.07056	1.6
70.03645	1.9
70.06583	2.0
71.04979	1.5
72.08160	1.0
73.02918	1.6
73.62753	0.5
79.05497	1.4
80.31855	0.5
81.03427	10.2
81.07079	3.1
83.04987	1.4
84.04488	0.6
84.08141	2.1
85.02445	0.9
85.02914	13.7
86.06068	0.6
86.09713	4.5
87.00834	5.2
87.04457	0.5
91.03951	0.8
91.05492	1.7
93.07045	1.8
95.04978	7.0
95.08611	2.5
97.02924	4.0
97.06521	0.8
97.52399	0.5
98.09682	1.5
98.20854	0.7
99.04475	3.5
99.08074	1.1
105.01864	3.5
105.07035	2.3
107.08618	5.9
109.02888	6.5
109.06527	4.3
109.10156	3.0
111.08077	0.5
115.03945	0.7
117.01878	0.7
119.08584	2.8
120.08136	0.5
121.06518	1.7
121.10164	9.8
122.07284	1.9
123.08099	2.5
123.11720	2.5
127.03932	9.4
127.11430	0.6
129.01852	1.0
129.14223	0.4
131.08553	1.3
133.04929	0.6
133.10143	3.4
135.08072	2.2
135.11703	0.8
137.09633	14.2
137.13260	0.8
140.14359	0.6
145.04938	3.0
145.10208	0.5
147.02879	0.6
147.07719	0.6
147.11668	1.2
149.09630	4.8
149.13272	5.2
151.11191	16.5
151.12375	0.9
153.09111	2.7
158.15401	0.5
159.02905	4.3
163.06049	0.5
163.14815	1.1
165.12769	26.3
166.13164	0.7
173.13278	2.2
185.16396	0.6
191.14328	8.1
193.15884	2.4
209.15382	100.0
210.15762	1.2
213.15979	0.8
231.05043	1.7
243.19855	0.4
245.18677	0.7
251.35739	0.5
439.66403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01874	1.5
55.05517	1.6
57.03443	1.3
61.02924	1.1
67.05506	2.3
69.03442	11.6
69.07066	2.0
70.06583	2.6
71.04987	1.9
71.51716	1.0
72.08157	2.1
73.02941	0.9
79.05502	1.9
81.03433	9.8
81.07064	3.5
83.04990	2.2
84.08147	1.6
85.02444	1.1
85.02916	14.9
86.09717	7.1
87.00849	6.0
91.05492	2.3
93.07050	1.8
95.04980	7.1
95.08630	2.8
97.02928	4.6
97.06512	0.8
97.57410	0.7
98.09730	1.7
99.04456	4.0
99.08073	0.8
103.05472	0.8
105.01895	4.0
105.07034	2.5
107.04904	0.7
107.08614	5.4
109.02911	7.5
109.06530	5.7
109.10172	2.7
115.03934	0.8
119.08606	2.2
120.08144	1.1
121.06524	1.7
121.10158	11.0
122.07315	0.8
123.08105	3.8
123.11699	1.4
127.03943	10.0
129.01883	1.0
131.08562	0.8
133.04996	0.8
133.10133	4.8
135.08101	1.9
135.11688	1.8
136.07629	0.8
137.09633	14.1
140.14313	1.1
145.04980	3.8
147.11723	1.7
148.34637	0.7
149.09633	5.8
149.13295	6.0
151.11215	19.0
153.09129	1.8
159.02927	4.6
165.12776	27.1
173.13266	1.4
191.14328	9.3
193.15887	2.3
209.15399	100.0
213.16106	1.0
231.05093	1.7
327.72791	0.6
385.21625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Embelinone
Peak:m/z	Relative Intensity
55.05497	3.5
57.03442	1.0
57.07062	2.3
67.05495	3.6
69.03441	0.9
69.07069	3.8
70.06583	0.8
70.69791	1.2
70.70114	1.5
79.05488	3.1
80.36444	0.8
81.07054	6.1
83.08621	1.9
85.06534	0.8
85.79810	0.7
89.06017	0.8
91.05480	3.6
93.07054	5.0
95.08624	8.0
97.10178	1.9
105.07033	3.2
107.08609	9.1
109.06523	1.5
109.10170	5.1
117.06970	1.1
119.08572	4.4
121.06512	8.6
121.10145	8.2
121.89896	0.8
123.08084	2.5
123.11716	8.4
125.09647	3.0
131.08560	1.6
133.10136	2.5
135.08075	4.3
135.11688	1.7
137.13287	2.4
143.08574	1.7
145.10147	3.3
147.08040	4.2
147.11703	1.9
149.09634	2.9
149.13274	2.2
151.14824	1.8
157.10124	2.4
159.08069	20.1
159.11705	3.3
161.09631	4.3
163.11272	0.9
163.14828	3.7
169.10080	1.2
171.11726	2.0
173.09651	3.9
173.13293	2.2
175.11180	6.9
175.14917	1.1
177.16417	1.7
183.11703	0.8
185.13245	2.3
187.11221	3.7
187.14784	1.8
189.12811	1.9
191.17896	1.6
199.11171	2.7
200.12035	1.1
201.12776	3.0
201.16435	1.5
211.14743	0.9
213.12833	1.8
229.15865	9.7
243.17464	6.8
247.16895	3.9
257.18835	1.0
261.18478	6.2
275.20074	1.0
283.20590	1.7
287.19937	1.0
297.22119	1.4
301.21576	0.9
303.70676	0.8
318.18195	0.8
339.23325	1.5
342.80710	0.7
353.24954	0.9
379.29871	6.1
397.31076	2.8
419.33273	1.8
437.34125	10.8
455.35242	100.0
456.35410	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.2
55.05523	2.9
56.05033	10.8
57.03438	11.2
58.06605	2.2
58.35378	1.9
58.99581	4.3
60.04527	6.6
60.05652	2.2
67.05501	2.2
68.05031	16.0
69.03427	12.0
69.07081	2.5
70.02959	4.2
70.06598	96.1
71.01337	5.4
71.04967	3.5
71.06949	2.0
71.51234	2.6
72.08163	30.4
73.02908	7.5
74.06068	8.2
76.02224	2.4
79.05518	3.0
81.03461	3.3
81.07063	2.5
82.06567	2.5
83.06098	2.2
84.04509	18.1
84.08152	66.0
85.02911	16.3
85.07641	1.8
85.08487	3.0
86.00659	3.8
86.05589	2.6
86.06071	25.9
86.09718	31.2
87.05587	3.7
88.03971	2.7
91.05467	6.2
94.06568	2.9
97.02892	5.7
97.06535	6.7
98.09700	4.0
100.02187	2.6
101.07133	2.8
102.04850	2.1
102.05503	3.4
103.05450	4.3
105.07041	3.1
109.02859	1.9
109.06506	2.2
110.06052	2.6
110.07186	12.6
110.09670	2.5
112.08717	4.1
113.07140	2.7
114.05567	5.0
115.03941	4.7
115.08674	2.9
118.03210	2.3
118.86481	1.8
119.04942	5.4
120.04435	2.2
120.05307	1.9
120.08121	18.3
121.06519	5.7
122.06036	5.3
123.04450	4.1
125.00498	2.7
126.05484	2.9
127.03912	3.2
127.08674	2.0
128.06166	2.5
129.06897	2.7
129.10251	26.7
130.05011	13.0
132.01123	3.3
133.05013	2.5
134.06035	2.2
136.06125	2.4
136.07607	13.7
138.06624	4.0
140.07031	3.0
143.08479	2.3
143.11765	2.3
146.02670	6.4
147.04379	10.7
147.05785	4.7
147.07645	18.9
148.06252	2.4
148.07417	2.1
150.05557	3.1
154.05031	2.6
155.09268	2.5
156.07736	2.4
158.09756	2.5
160.07576	3.8
164.07045	4.5
166.03236	2.9
172.07649	2.6
173.09215	3.3
174.09207	3.7
175.08682	2.3
182.08118	4.1
184.00728	2.7
184.07637	4.9
185.16493	2.7
186.09151	5.1
194.02756	4.2
197.12860	2.5
199.08781	2.9
200.13956	3.0
201.10304	10.0
202.08643	2.9
211.08794	3.0
212.03755	3.2
212.07065	4.1
213.06592	2.1
213.10231	2.4
227.08124	4.0
227.11896	4.3
229.09755	42.6
230.08276	10.5
240.03230	8.0
240.09026	3.8
241.09685	5.5
242.10490	3.0
243.11241	4.5
244.12964	62.6
253.09764	3.5
255.11342	18.8
257.09335	13.8
258.04370	3.1
258.07678	3.2
271.10828	12.7
272.09122	4.4
273.12289	2.3
275.10355	17.2
276.08704	9.3
283.10718	7.0
299.10345	4.6
300.08640	8.3
301.11874	23.2
314.09650	4.4
317.11285	7.3
326.10239	3.9
327.09644	7.4
333.13257	2.4
335.12164	4.2
342.11819	8.8
348.10019	4.2
360.10068	5.3
360.17911	2.0
394.14890	2.1
402.11273	12.2
403.09634	3.9
408.12247	5.5
420.12253	100.0
421.10599	13.4
438.12787	19.8
438.17938	7.3
439.11472	14.2
446.90982	2.7
455.90460	2.8
456.13940	3.8
456.19449	10.4
456.28751	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	454.2928
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
54.69901	0.5
55.05506	2.0
57.03440	2.8
57.07077	21.2
57.37460	0.5
62.06091	23.0
67.05505	3.7
69.07073	3.5
69.53171	2.4
71.08239	0.9
71.08630	14.0
73.16174	0.5
79.05497	0.7
81.07054	5.1
83.08626	4.3
84.51060	0.4
85.10188	7.5
89.01424	0.5
89.06046	0.5
89.94029	0.5
90.22652	0.4
95.08611	7.3
97.10159	2.1
98.98473	4.8
99.11723	0.9
103.07592	0.6
109.10164	3.6
119.08659	0.5
123.11716	1.6
124.01600	1.8
137.13225	0.7
142.02641	1.4
149.13014	0.5
155.01051	5.6
173.02180	0.5
198.05374	1.5
201.74977	0.4
211.11418	0.5
216.06348	2.8
239.23700	1.5
250.82607	0.5
250.86546	0.5
260.90482	0.5
282.27924	11.7
313.27365	100.0
314.27679	1.0
393.24054	6.9
436.28238	5.2
454.29196	2.5
455.59253	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42802	0.7
55.05511	2.6
57.07079	34.3
59.92849	0.6
65.53053	0.6
65.90582	0.7
67.05493	1.1
69.07064	2.2
70.68279	0.7
70.68607	1.8
71.08639	22.7
73.06565	5.1
74.29092	0.6
81.07075	0.9
83.08620	2.8
85.10190	20.6
85.98328	0.6
87.04465	3.1
89.06036	100.0
91.07629	0.8
95.08599	1.0
97.10163	3.1
99.11734	3.8
105.88160	0.6
106.00772	0.6
107.07068	2.3
111.11710	0.9
113.13290	1.1
117.09132	3.4
130.08675	2.8
133.08614	45.2
151.09746	0.8
155.18010	3.8
161.11742	1.1
177.11232	20.3
177.12701	1.3
195.12305	1.8
199.20598	3.3
221.13882	3.4
238.95956	0.7
239.14944	2.2
240.23311	1.1
243.23224	11.5
283.17532	20.4
287.25833	3.7
300.43451	0.8
349.29449	1.4
393.32132	1.9
437.34775	35.2
438.34851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95901	0.5
58.83340	0.4
63.64602	0.4
71.10905	0.4
71.11230	0.7
75.76018	0.4
112.89614	28.6
114.89344	6.3
116.89118	2.2
139.91492	4.8
141.91296	1.7
158.25136	0.4
208.05717	0.4
250.89479	0.7
351.84256	0.5
455.11658	100.0
456.12061	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
55.01884	3.8
55.05305	2.3
55.05516	22.9
56.05013	3.8
56.17968	2.2
56.79123	2.4
57.03438	7.2
61.02927	4.4
65.03938	3.1
67.05512	26.5
69.03434	15.2
69.06730	2.6
69.07063	14.2
70.06596	32.4
70.78780	5.2
71.04990	10.0
72.08138	5.4
74.06098	2.8
79.05505	17.5
81.03419	6.5
81.07059	38.8
83.04993	4.1
83.08620	10.3
84.04507	3.8
84.08153	31.9
85.02908	21.1
85.06548	13.0
86.06043	2.9
86.09711	18.4
87.04478	3.2
91.05499	21.1
93.07047	37.2
95.04989	6.8
95.08607	37.2
97.02897	7.6
97.06506	5.4
98.09689	4.2
99.04478	5.4
99.08125	3.1
100.11237	8.4
101.11622	3.0
105.07036	33.2
107.04987	4.4
107.08605	54.0
109.02869	2.9
109.06539	12.2
109.10165	26.1
111.04396	3.8
111.08052	5.2
113.09657	11.2
119.07894	1.9
119.08589	50.7
120.08087	5.2
121.06514	20.2
121.10146	38.4
123.08061	46.6
123.11698	17.3
125.09650	10.3
127.03940	3.3
127.12338	7.6
129.07053	2.9
129.10278	9.8
130.05013	2.6
131.08582	16.4
133.10135	26.5
135.08066	54.3
135.11699	11.4
136.07611	5.8
137.09619	33.5
139.11125	4.2
143.08585	3.9
145.06509	4.8
145.10138	24.4
147.08055	8.6
147.11670	16.6
149.09628	23.6
149.13280	6.3
151.11200	5.3
152.14574	2.4
153.09094	3.5
156.09258	3.7
157.10152	8.0
159.08067	6.2
159.11737	21.2
161.09641	8.5
161.13269	6.0
163.11191	20.3
165.09102	41.0
165.12779	3.0
167.10690	6.5
169.10124	2.9
171.11690	6.7
173.09631	4.8
173.13257	17.9
175.11246	10.0
175.14838	11.2
176.14281	2.7
177.09145	2.8
177.12769	3.1
182.15407	5.5
183.11615	4.1
185.13310	4.3
185.57010	2.4
187.11186	2.4
187.14842	9.2
189.12630	4.5
197.13333	4.3
198.56113	2.6
199.14851	9.9
201.12804	6.4
203.21756	2.3
207.13760	5.4
211.15076	3.5
213.16318	2.9
215.14299	8.2
215.17964	7.6
217.15843	5.8
227.17821	2.9
233.15372	6.7
233.19043	22.4
239.17982	4.3
245.19008	7.1
257.19019	24.8
260.14835	2.5
263.20093	27.2
275.20059	97.1
293.06436	6.3
293.21118	100.0
336.15671	2.7
391.31442	4.8
445.84241	6.2
454.84485	5.3
455.20297	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	452.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28386	0.2
55.05513	0.3
56.05041	2.6
57.94408	0.2
60.17537	0.2
65.03941	0.8
67.05517	2.4
69.03439	0.8
70.06595	1.9
70.29198	0.9
71.04996	0.7
72.89361	0.2
78.61273	0.2
81.07056	0.4
84.04547	0.3
84.08150	40.5
85.02905	1.6
85.08475	0.4
86.09710	0.9
91.05485	5.2
92.01971	0.2
97.02913	0.3
97.08945	0.4
98.09692	3.6
99.10009	0.6
109.10160	0.4
119.04950	17.8
124.11279	0.2
126.12802	21.4
127.03946	0.4
129.10210	0.3
135.78862	0.2
136.07550	0.2
139.08339	0.2
140.14360	1.5
141.14682	0.4
143.11807	0.5
144.13846	6.4
147.04420	100.0
148.04755	1.0
158.15411	0.3
290.17459	0.6
291.08606	0.4
309.09808	0.7
369.13898	0.2
378.21848	0.3
378.71396	0.9
451.75061	2.2
452.22830	46.1
453.23074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
55.05503	2.1
56.05037	3.7
56.96139	0.5
57.03436	4.2
58.06578	0.7
59.51666	0.5
60.04501	0.9
61.02920	0.5
65.03937	0.7
67.05505	4.0
68.05038	1.6
69.03432	2.2
69.07070	1.9
70.02942	0.7
70.06595	22.3
71.04997	11.0
71.06917	0.8
71.52083	0.7
72.08167	6.0
73.02908	2.0
73.08488	0.9
74.06068	1.6
79.05489	1.9
81.03442	0.6
81.07050	0.6
82.06588	0.8
83.05006	0.9
83.06110	0.9
84.04498	3.6
84.08147	78.3
85.02908	16.1
85.08474	0.9
86.06056	2.5
86.09710	17.8
87.04483	1.4
87.05611	0.7
87.10040	1.1
88.04002	0.9
91.05483	5.6
93.04543	0.7
93.07063	0.5
95.04970	0.8
96.04482	0.7
96.08140	0.7
97.02897	1.9
97.08930	0.7
98.06055	1.2
98.09704	4.5
100.03977	0.6
101.06022	0.5
101.07152	0.9
101.09215	0.5
102.05555	1.3
105.07043	1.0
107.04936	1.4
107.08598	1.6
109.10179	1.5
110.06030	0.7
110.07170	4.7
111.04433	1.2
112.08710	1.0
114.05562	0.6
115.03961	1.2
115.08715	0.8
116.07113	1.1
119.04954	13.4
120.08112	3.9
121.06501	0.8
121.08463	0.5
123.04440	1.4
124.07636	0.5
124.11230	3.1
125.09645	4.1
126.05568	0.7
126.12798	38.0
127.03934	0.9
129.05519	1.4
129.10252	7.5
130.05035	1.2
133.04964	1.2
136.07594	4.2
137.68260	0.6
140.14384	0.5
143.06003	0.5
144.13837	28.7
145.02878	0.9
146.05997	0.7
147.04414	100.0
148.04796	1.1
157.13411	1.3
162.95760	0.5
169.06471	0.6
177.05521	2.5
184.07513	0.7
185.12953	0.6
187.10876	0.8
193.09959	0.6
196.39960	0.5
201.05540	1.4
201.12451	0.6
207.11287	1.1
217.05174	0.7
257.13751	0.6
275.09128	6.3
290.17505	12.8
293.10309	1.7
308.18475	0.6
308.22150	0.5
370.64310	0.6
433.21158	2.1
436.23331	59.4
437.23929	0.8
454.17694	1.9
454.24469	27.8
455.15488	0.8
455.24371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	1.4
57.03442	0.5
57.07080	0.5
58.06587	0.5
62.74069	0.3
65.03951	1.7
67.05517	2.6
68.05027	0.3
69.03448	0.7
69.07072	2.3
70.06603	7.4
70.15752	0.9
71.05016	2.3
72.08158	0.4
79.05479	0.8
81.03418	0.7
81.07065	1.3
81.19772	0.3
83.04991	1.0
83.08620	0.6
84.04500	0.6
84.08149	2.1
85.02915	4.5
86.07475	0.3
86.09707	0.9
87.08118	2.6
91.05490	8.4
93.07047	0.7
95.04962	0.3
95.08608	0.9
96.08144	0.6
97.02882	0.6
97.06502	0.4
98.09705	70.0
99.10040	0.3
100.11246	0.3
105.07034	1.1
107.08624	0.4
109.02908	0.4
109.06532	0.4
109.10175	0.7
110.07175	0.6
111.04483	0.7
111.10455	0.4
111.11727	0.6
112.11244	0.5
117.71342	0.3
119.04957	24.7
119.08557	0.6
121.06514	0.7
121.10161	0.8
123.08131	0.8
127.03931	0.5
129.05489	1.1
131.08632	0.5
133.06552	0.5
133.10162	0.4
134.07312	0.3
135.08080	0.4
136.08409	0.4
138.10002	0.3
140.14362	20.9
145.04991	0.4
147.04425	100.0
148.04764	0.6
158.15425	8.3
163.05981	0.4
279.10254	0.5
297.11258	9.4
316.36597	0.3
422.18274	1.9
439.74286	0.3
454.25961	63.3
455.26279	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43034	0.8
55.05523	1.7
55.68748	0.6
56.05035	4.0
56.34132	0.7
57.03411	1.0
63.93123	0.6
67.05515	4.4
70.06601	3.6
70.90898	1.6
71.04999	7.2
81.07059	0.7
83.04958	0.9
84.08146	69.9
84.44014	0.7
85.02909	9.1
86.09703	0.9
89.03948	3.2
91.05470	2.3
95.68844	0.7
98.09695	28.8
99.10035	5.8
100.22727	0.7
107.05003	0.7
108.37554	0.6
109.10175	1.3
117.03402	4.3
119.04935	7.2
120.08096	0.6
123.04412	1.0
126.12794	37.8
129.05458	2.4
135.04430	10.6
140.14336	7.6
141.14703	3.3
144.13849	21.3
145.02841	12.5
145.06108	0.7
147.04419	36.1
148.04744	3.5
158.15372	1.6
163.03906	100.0
177.05405	1.6
203.06998	0.8
217.04939	1.0
255.09865	0.7
282.51151	0.7
291.08676	5.3
305.19424	0.7
305.69397	0.9
306.16965	8.9
316.09814	0.6
378.22571	1.3
378.72519	4.2
451.75278	14.3
452.22684	89.6
453.22955	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
56.05038	1.1
65.03945	0.6
67.05511	1.6
69.03418	0.8
70.06591	0.6
70.49189	0.7
71.04986	0.5
71.67804	0.2
77.52924	0.2
84.08150	19.4
85.02899	0.6
91.05491	6.5
98.09705	3.1
99.10000	0.5
107.31036	0.2
109.10181	0.3
119.04948	19.5
126.12801	14.4
127.03893	0.5
140.14322	0.9
141.14671	0.3
144.13846	28.6
147.04417	100.0
148.04750	0.8
165.05499	0.2
177.05461	0.3
290.17459	0.8
291.08780	0.3
309.09607	0.6
315.21518	0.2
358.80966	0.2
378.22449	0.3
378.72134	0.6
379.21606	0.3
451.75266	2.0
452.22815	46.3
453.23178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2485
Annotation	Caerunine
Peak:m/z	Relative Intensity
51.02375	0.1
55.05507	0.3
57.03441	0.2
58.06582	0.1
63.96507	0.1
65.03933	0.7
67.05507	1.4
69.03450	0.1
69.07066	0.1
69.40215	0.6
70.06593	2.6
71.04986	0.8
79.18314	0.1
81.07049	0.2
82.06548	0.1
83.04982	0.2
84.08149	0.5
85.02915	0.7
88.25999	0.1
91.05480	7.0
95.05004	0.1
96.08167	0.2
98.09694	33.5
106.38210	0.1
107.04971	0.9
109.10156	0.4
111.04443	0.4
111.10464	0.3
112.10010	0.1
112.11250	0.3
118.04084	0.1
119.04943	22.2
129.05539	0.1
138.12776	0.1
140.14343	12.6
147.04410	100.0
158.15405	24.8
187.07613	0.1
189.05522	0.2
201.05452	0.9
215.06938	0.1
217.04955	0.3
275.09125	2.1
293.10272	0.2
304.19061	2.8
352.36298	0.1
450.24869	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28918	2.4
53.03952	3.0
55.05510	8.8
57.07067	5.3
59.04996	4.4
67.05502	18.8
69.03449	5.9
69.07058	6.1
69.15311	27.1
70.06589	10.7
71.04995	20.5
72.05316	3.1
78.63852	2.8
79.05491	12.0
81.07051	23.5
83.04976	3.9
83.08609	3.6
84.08157	5.7
85.02905	16.2
85.06542	6.5
91.05492	24.5
93.07065	17.8
95.04975	11.5
95.08602	25.2
97.06564	3.0
98.09700	100.0
99.09459	3.8
99.10021	17.6
105.07043	34.7
107.08597	24.6
109.06530	42.3
109.10160	8.0
111.08099	6.9
111.10508	2.8
117.07019	8.4
119.04948	11.0
119.08601	23.4
120.05301	3.3
121.06469	13.7
121.10126	13.1
123.08067	36.1
123.11709	3.2
125.05940	2.6
128.06238	5.7
129.05479	2.5
129.07021	9.2
130.07736	3.9
131.08607	26.4
132.35986	2.5
133.06448	6.3
133.07423	3.3
133.10141	16.6
135.08034	15.8
135.11652	4.4
137.05984	5.1
137.09650	7.7
140.14339	43.4
141.07022	5.2
141.14682	15.1
142.07794	13.7
143.08556	20.1
145.10107	29.2
147.04410	48.9
147.08029	18.0
147.11694	6.5
148.04738	19.3
149.09613	14.0
151.07555	38.2
151.11238	5.2
153.07027	2.7
155.08592	13.7
156.09361	9.0
157.10146	32.3
158.15401	9.6
159.08092	7.6
159.11710	11.4
159.15765	4.4
161.09615	9.8
163.07550	4.0
163.11205	8.3
165.07045	3.5
165.09123	12.0
167.07175	3.3
167.08644	7.7
168.09375	4.7
169.10095	16.5
170.10954	3.8
171.11684	13.6
171.33879	3.0
173.09624	16.2
173.13290	8.4
175.11186	13.4
175.48386	3.0
177.09116	3.3
179.08656	4.3
180.09340	3.9
181.10143	13.9
182.10873	4.6
183.08063	3.2
183.11690	20.5
185.09631	13.8
185.13326	5.0
187.11226	9.0
189.12834	12.7
191.10617	3.7
191.14368	6.4
192.09279	2.8
193.10175	4.8
194.10860	4.9
195.11818	12.8
196.08853	3.0
196.12376	3.0
197.09615	3.4
197.13304	9.5
199.11237	11.5
199.14772	3.4
201.12787	15.3
203.14258	5.1
205.10068	3.7
207.11685	8.6
207.13821	13.5
209.09657	3.5
209.13274	12.0
209.15210	5.5
211.11150	6.2
211.14856	5.6
213.12784	7.8
215.14314	4.5
217.12286	10.6
218.10918	2.8
219.11679	3.3
221.13301	4.1
221.15288	18.3
225.12750	10.4
227.14284	4.9
229.12242	3.4
229.15907	6.9
233.13184	3.9
235.14993	3.1
239.14491	3.6
241.12305	3.0
243.13837	40.1
249.16476	3.0
253.15909	8.6
260.80084	2.9
271.16959	6.2
286.19299	8.1
287.05487	3.3
289.05902	3.5
304.18881	3.8
304.69370	6.1
305.19342	6.0
315.19785	3.7
331.22714	3.6
373.25491	3.6
377.21359	6.4
377.72015	18.5
378.22256	7.9
378.27097	2.9
393.24652	3.9
395.22015	6.0
415.26633	6.6
433.27313	26.5
450.75021	54.7
451.24786	32.5
451.28561	49.9
451.75507	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	450.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
57.05804	0.1
58.06582	0.2
65.03928	0.9
67.05174	0.2
67.05505	1.7
68.05013	0.2
69.07065	0.1
69.40143	0.5
69.40569	0.2
70.06593	4.3
71.04992	0.9
81.07067	0.3
83.04972	0.5
83.07371	0.2
84.08144	0.6
85.02917	0.7
91.05482	7.5
96.08125	0.2
98.09693	51.6
107.04947	0.9
109.10143	0.4
111.04452	0.4
111.10471	0.5
112.11210	0.5
119.04941	23.1
121.02893	0.1
129.05521	0.2
140.14342	18.4
145.06406	0.1
146.53862	0.1
147.04410	100.0
158.15404	22.9
164.86395	0.1
169.06502	0.1
187.07593	0.1
189.05508	0.1
201.05482	0.9
217.04987	0.4
275.09140	2.0
275.11945	0.2
293.10165	0.2
304.19067	2.5
377.22006	0.1
377.71854	0.1
450.24869	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2485
Annotation	Caerunine
Peak:m/z	Relative Intensity
55.05500	0.6
56.05050	0.1
58.06598	0.5
65.03940	0.5
67.05177	0.2
67.05506	2.8
68.05027	0.4
69.07073	0.4
70.06594	8.0
71.05000	0.9
72.08159	0.2
81.07058	0.6
81.34290	0.2
83.04992	0.3
83.07356	0.2
84.08147	1.4
85.02897	0.9
91.05482	3.9
96.08133	0.4
98.09695	100.0
98.21631	0.3
101.43420	0.1
101.67811	0.1
102.21749	0.2
107.04972	0.5
109.10169	0.7
111.04427	0.2
111.10461	0.9
112.11237	0.8
119.04948	13.1
140.14345	28.8
147.04413	80.7
158.15410	5.0
165.05484	0.1
201.05501	0.6
211.12956	0.1
217.05008	0.2
249.94252	0.2
256.28799	0.1
275.09116	1.7
293.10083	0.3
304.15491	0.2
304.19067	5.8
450.24887	70.4
451.25528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01867	2.2
55.05508	1.7
56.05030	2.2
57.03162	1.7
57.03440	26.1
59.04994	5.8
60.04525	2.9
61.02918	3.8
66.24715	1.4
67.05515	1.7
69.03432	77.8
70.06594	14.4
71.01367	1.5
71.04981	3.3
72.08138	5.5
73.02909	3.2
74.06076	1.4
75.04472	1.6
81.03408	4.1
83.04953	1.9
83.39487	1.2
84.04507	2.5
84.08139	12.9
85.02908	76.7
86.06055	2.0
86.09703	11.4
87.04470	55.8
87.09997	1.8
91.03945	2.3
91.05467	5.2
93.07044	3.0
96.08219	1.4
97.02896	66.0
98.06068	1.5
98.09697	13.7
99.04459	2.9
107.04964	1.7
109.02882	3.6
110.07197	1.8
112.08695	2.0
115.03935	81.0
115.08728	1.6
117.07008	6.6
119.04935	1.4
120.08103	3.1
121.06507	39.2
127.03905	10.8
129.10231	6.1
129.52312	1.2
133.04970	100.0
135.08070	2.8
136.07544	2.9
140.14311	5.8
144.13896	1.7
145.04961	15.7
145.06474	35.4
147.04424	12.0
150.07620	17.2
157.06467	1.8
159.08017	4.6
163.06059	4.3
163.07532	18.4
169.04982	2.3
171.08144	1.9
175.07544	12.7
179.06967	2.0
181.08549	3.5
187.07542	16.7
205.08623	15.6
217.08591	18.0
223.06049	2.5
229.08667	4.5
235.09677	9.8
241.07080	3.5
247.09593	7.0
259.08215	4.4
265.10684	5.1
277.09192	2.5
287.05496	11.0
288.05859	24.6
295.10202	5.2
330.92999	1.6
377.21509	1.8
450.15176	1.8
450.24509	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	449.3625
Annotation	Numersterol A
Peak:m/z	Relative Intensity
53.03937	3.8
55.05517	27.1
57.06841	3.3
57.07075	44.0
66.34215	2.7
67.05515	20.5
69.07073	50.0
69.87115	14.4
71.04984	2.6
71.08630	31.0
79.05476	9.1
79.14030	2.6
81.07059	32.7
83.01306	5.8
83.04961	4.6
83.08624	27.6
85.02874	3.1
85.10188	17.3
91.05472	10.1
93.07056	17.6
95.04971	8.4
95.08613	31.0
97.06532	4.8
97.10170	20.2
98.09683	8.6
99.04468	31.8
105.07033	14.7
107.04961	3.7
107.08578	12.2
109.06540	16.2
109.10172	22.5
111.04446	46.5
111.08061	8.0
111.11725	11.6
113.05992	18.1
117.07020	4.1
119.08617	17.3
121.06488	6.8
121.10140	9.2
123.04396	7.7
123.08130	13.7
123.11687	7.2
125.05997	49.8
125.13316	4.5
131.08531	8.0
133.10120	8.9
135.04437	4.7
135.08037	7.5
135.11736	4.2
137.05995	16.7
137.09576	7.2
139.07509	8.6
140.14360	4.7
143.08533	3.6
145.10132	4.1
147.04427	7.0
147.11696	9.5
149.06003	4.7
149.09625	2.7
149.13257	3.4
151.03877	4.4
151.07529	10.2
153.05534	12.4
155.06998	12.2
161.09657	7.3
161.13239	4.4
163.07571	18.6
165.05479	18.7
165.09149	5.7
169.04982	6.1
171.11588	3.9
175.11249	5.4
175.14874	3.7
177.09137	6.4
179.10626	7.2
183.06520	28.7
189.12781	7.2
191.10634	7.0
193.12192	4.2
203.14395	3.8
217.12199	8.0
233.15404	4.4
234.22542	3.2
235.13326	4.9
301.28781	10.3
319.29938	6.6
359.29321	3.4
371.78818	3.1
375.36136	4.6
385.34521	12.9
389.34094	11.2
403.35696	100.0
413.34116	13.6
431.35187	97.0
449.23288	3.6
449.36224	98.9
450.24933	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.4
55.21414	0.3
56.05035	6.5
56.33831	0.3
57.05835	0.5
58.06607	0.6
60.04529	1.2
61.01181	0.4
63.67123	0.3
67.05518	0.3
68.99797	0.3
69.03426	0.7
69.07073	6.9
70.06601	6.8
72.08158	2.9
74.02445	19.4
74.06081	1.8
75.02711	6.9
75.05608	2.8
84.04512	1.9
84.08138	3.3
85.02895	1.2
86.06075	3.5
86.09711	86.9
87.04483	0.4
87.05595	0.3
87.10051	0.4
88.03988	0.6
91.05534	0.4
97.02901	0.7
97.07671	0.3
98.09703	0.6
102.05545	3.7
104.05313	0.4
107.04991	0.4
109.02952	0.3
110.07187	1.0
111.00790	0.4
112.08775	0.3
113.81397	0.3
114.05540	7.4
115.03910	0.6
115.08672	0.3
116.07111	0.6
120.08106	2.1
120.69584	0.3
121.02905	0.9
121.06538	0.5
123.04458	0.3
127.00377	0.3
127.03858	0.4
127.65477	0.3
129.10262	1.7
130.05014	1.4
133.05000	0.6
134.50238	0.3
136.07597	1.0
137.02385	1.6
137.03346	0.3
143.08191	0.3
143.11804	11.4
147.04425	0.5
148.04187	0.3
148.06070	0.8
148.76923	0.3
149.02676	4.8
153.01826	1.3
153.06558	2.5
165.01843	0.7
166.05347	45.6
169.13390	0.6
171.07664	2.8
171.11339	1.0
173.09273	0.9
173.12886	1.2
185.06064	0.4
201.12421	0.6
203.10274	1.8
203.11998	0.5
213.05524	1.9
215.13960	1.4
217.08656	0.3
231.06503	0.6
238.15482	1.5
241.04929	0.9
249.10799	1.0
256.16571	14.3
261.09152	0.4
261.14523	0.4
266.14981	0.3
269.04272	0.4
279.13751	3.8
284.16101	6.8
287.05515	100.0
288.05789	1.8
318.14893	0.4
320.71060	0.3
336.15906	5.4
367.19644	0.8
385.20825	0.4
431.19763	2.2
449.10477	1.5
449.24451	0.4
450.24362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.98057	0.3
53.03930	0.2
55.01874	0.6
57.03429	1.1
61.02924	1.4
61.65277	0.2
67.05479	0.2
68.66737	0.2
68.99792	0.8
69.03430	3.5
70.06591	0.3
70.65899	0.6
70.66271	0.5
70.95464	0.2
71.04987	0.4
73.02896	0.4
76.18681	0.2
79.88441	0.2
81.03432	1.3
85.02911	8.6
91.03947	0.5
91.05484	0.5
97.02907	3.3
98.09705	2.2
99.04469	0.4
105.03354	0.4
107.04951	0.4
109.02885	1.1
110.26894	0.3
111.00794	0.9
119.04958	1.8
121.02871	2.9
127.03928	1.7
129.06989	0.2
133.02885	0.4
137.02339	1.0
140.14354	0.6
145.04936	1.5
147.04427	6.0
153.01830	3.7
157.06485	0.4
158.15425	1.1
165.01906	1.6
183.02875	0.4
185.05936	0.3
201.20512	0.3
213.05440	1.2
231.06583	0.8
241.04996	1.0
243.84325	0.2
258.05267	1.5
259.05948	0.5
269.04456	0.3
287.05511	100.0
288.05847	1.0
408.84943	0.3
450.24850	2.6
467.23825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
56.05016	1.8
57.03453	0.5
58.06580	0.8
59.81783	0.4
60.04502	1.6
60.05619	1.2
67.05502	0.5
68.05004	0.9
69.03435	0.7
69.07042	0.4
70.06599	8.2
70.24452	0.4
71.04980	0.4
71.51096	0.6
72.08166	3.6
74.06062	1.0
79.05466	0.6
82.06572	0.6
83.06084	1.9
84.04511	2.7
84.08143	7.0
85.02889	1.3
86.06059	2.4
86.09235	0.6
86.09710	8.8
87.05557	0.5
87.10033	1.6
88.03975	0.5
91.05444	1.1
95.06097	0.4
96.04529	0.5
97.02862	0.8
98.09691	1.0
101.07099	0.5
102.05521	1.1
105.03368	1.9
105.04018	0.5
105.05779	0.9
106.06520	0.7
107.04984	0.6
110.07144	1.6
111.05583	5.5
112.08723	0.7
113.07117	0.9
114.05536	1.2
115.08649	0.7
116.07082	0.5
119.04931	0.5
120.03642	0.7
120.04469	11.0
120.08099	1.6
121.02841	0.7
123.05530	1.3
126.06651	8.0
127.07436	0.5
129.10231	3.8
130.06512	0.5
132.04463	19.1
133.05130	0.9
134.06029	8.1
136.07581	1.6
137.04668	1.8
140.08160	1.0
145.03970	0.7
146.02332	1.0
147.04439	1.1
151.06151	7.9
154.08609	0.6
159.05507	0.6
163.03940	0.7
165.09119	2.5
168.08824	2.4
170.05557	0.5
170.12415	0.4
173.12836	0.9
185.07210	0.5
187.07343	0.7
187.10802	0.8
188.48550	0.4
199.18074	0.5
200.16454	0.7
200.18294	0.6
202.09763	14.5
208.14552	0.5
215.08105	0.7
216.11363	3.7
230.09283	9.5
231.12445	1.5
232.10785	4.3
234.99057	0.7
242.09253	4.0
257.10367	4.7
259.11917	75.0
260.12186	0.7
276.14612	0.7
277.13065	2.5
284.11404	6.6
287.05511	33.2
289.03793	0.5
301.14053	6.8
302.12473	30.2
303.12946	0.5
319.15167	1.6
341.67825	0.5
362.18246	1.1
365.89163	0.4
384.60828	0.5
406.17242	13.2
430.18460	1.2
431.16498	1.0
448.19418	100.0
449.10690	0.5
449.19836	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.5
55.05520	57.9
57.07077	97.6
66.56815	5.9
67.05522	34.4
69.07074	87.4
70.03710	6.2
71.08633	52.9
71.17297	11.9
71.17702	6.3
79.05495	20.6
81.07056	99.7
83.04978	19.9
83.08624	48.5
85.10200	33.9
91.05476	32.2
93.07059	33.0
95.08614	71.9
97.10166	41.4
99.04462	13.8
105.07020	44.0
107.08599	28.2
109.06512	10.7
109.10165	30.4
111.04436	24.4
111.11713	19.7
114.62788	5.7
117.07021	13.2
119.05045	8.5
119.08585	25.4
121.06541	8.7
121.10155	22.5
123.08087	11.9
123.11732	14.3
125.13296	8.0
127.03915	28.2
130.07762	8.1
131.08565	26.0
133.06477	15.6
133.10156	18.9
135.08075	21.6
135.11716	15.7
137.05997	48.6
137.09607	7.2
141.07048	7.8
142.07787	12.5
143.08536	12.5
144.09288	9.5
145.10144	34.3
147.08031	8.3
147.11690	17.1
149.02460	6.6
149.09648	16.6
149.13277	7.7
151.07544	31.6
153.05424	10.0
156.09395	14.8
157.10150	43.8
159.08087	22.4
159.11678	37.9
161.09624	20.4
161.13348	6.9
163.11270	7.8
165.09166	15.1
169.10123	9.2
171.11772	30.1
172.08859	9.1
173.09618	89.8
173.13177	11.8
175.07558	37.4
175.11212	21.4
177.09123	13.6
179.07071	15.0
181.05077	9.2
183.11687	14.0
185.09741	7.4
187.07565	13.2
187.11211	40.0
188.08441	6.7
189.09096	60.0
191.10718	33.2
197.13370	7.5
200.08481	10.6
201.09171	37.7
203.10680	94.9
205.12222	45.9
211.14847	12.9
215.10699	100.0
217.12221	12.1
221.11751	9.1
229.12207	14.3
229.15863	7.1
231.13786	16.6
257.15323	20.0
271.17001	9.5
285.18808	8.3
383.33118	32.5
401.34131	13.4
411.32529	83.2
429.33475	37.7
447.38702	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	447.3469
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
53.03967	0.3
55.05502	1.1
57.07077	6.4
61.77101	0.2
65.87278	0.3
66.98379	0.3
67.05489	0.8
69.03439	0.4
69.07061	1.1
69.33804	2.2
71.08632	4.2
76.28715	0.3
78.11997	0.2
79.05479	0.8
81.07058	2.0
83.01343	0.7
83.04929	0.4
83.08603	0.6
85.10189	1.9
91.05482	0.6
93.07047	1.2
95.01334	1.3
95.04979	0.6
95.08599	1.2
98.20701	0.5
99.00819	8.4
99.01473	0.5
99.04456	2.1
105.07019	0.9
107.04961	0.6
107.08571	1.1
109.02855	0.6
109.06522	0.4
109.10161	0.8
111.04479	0.4
111.11711	0.4
113.02334	1.4
113.25530	0.2
117.01865	0.9
117.07030	0.5
119.08575	0.7
121.06545	0.3
121.10104	0.6
123.04416	0.3
123.11703	0.2
125.06005	1.0
127.03914	0.7
131.08562	0.5
133.10138	0.3
134.98193	0.3
135.04404	0.8
135.08023	1.0
135.11676	0.5
137.05989	1.1
137.13237	0.3
139.07571	0.4
145.10117	0.6
147.11778	0.3
149.02414	0.3
149.05995	0.8
149.09653	0.5
149.13284	0.5
151.07570	0.5
153.05473	3.6
154.86188	0.3
159.11769	0.5
163.07565	2.3
163.11256	0.5
163.14957	0.3
169.04974	0.3
171.11655	0.4
177.05574	0.3
177.09137	1.3
177.12672	0.3
181.04961	13.9
183.06584	1.0
191.07021	1.5
191.10707	0.9
195.06534	31.0
205.08655	1.1
205.12234	0.6
209.08093	16.2
219.10121	0.6
223.09654	16.7
237.11223	13.1
251.12773	9.6
262.52631	0.3
265.14349	4.7
279.15927	2.5
293.17474	1.9
307.19070	1.6
321.20694	2.0
335.22141	1.0
349.23941	0.6
363.25287	0.8
370.34445	0.3
377.26883	0.6
391.28442	0.8
405.29941	0.5
429.33847	1.8
447.34708	100.0
448.34924	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	447.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
57.03442	0.6
65.03939	3.7
67.05512	0.8
69.03436	2.7
69.07059	0.7
70.06593	0.9
70.49258	0.8
70.49601	0.5
73.02912	0.4
75.93379	0.4
76.98264	0.3
77.15651	0.3
79.05497	0.8
80.05017	4.5
81.07068	1.0
84.08134	0.5
85.02914	4.3
85.57691	0.4
86.09717	0.6
86.98694	0.4
91.05487	100.0
92.05796	0.6
93.07047	0.7
95.08585	0.9
96.04498	0.7
97.02908	3.5
105.07014	0.5
106.02929	2.6
109.10188	0.7
115.03943	2.7
117.07076	0.5
119.08624	0.5
120.08073	0.4
121.06545	0.6
123.05562	45.9
123.11784	0.4
124.03951	4.2
125.07040	0.3
127.03975	0.4
131.08609	0.4
133.05017	0.4
134.09677	0.4
136.11215	0.7
138.09131	0.6
139.05006	0.6
141.06595	2.8
143.08566	0.4
144.39726	0.4
145.10115	0.5
150.35143	0.3
151.07623	0.8
155.08514	0.4
157.10213	0.5
158.72736	0.4
162.09161	2.2
165.06558	0.8
170.09691	0.8
177.06654	0.4
179.11823	3.3
190.04980	0.6
197.13031	0.8
199.14899	0.4
205.04103	0.5
205.06084	11.1
207.07785	0.7
214.08641	12.3
232.09741	0.8
253.08229	10.9
255.09769	46.0
256.08218	1.1
256.10425	0.5
267.21121	1.1
285.21881	0.6
294.13406	0.6
296.09186	4.0
300.12195	0.5
301.07065	0.5
302.13931	1.1
311.16055	4.9
339.15527	29.8
344.11282	8.1
346.12863	33.6
347.13190	0.4
386.19632	0.6
402.19257	0.8
430.18634	16.9
447.21832	3.3
447.27197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
55.05518	6.0
55.35225	0.6
56.04832	0.6
56.05044	7.1
56.61470	0.7
57.03438	1.6
58.06594	2.3
58.99590	0.8
60.04531	11.1
60.05644	1.4
66.06298	0.7
67.05515	1.5
68.05037	7.0
69.03448	1.6
69.07066	2.9
69.21318	6.7
70.02951	2.4
70.06599	35.1
71.01351	1.4
71.05006	0.8
71.06938	3.7
72.08162	65.2
73.02918	0.9
73.04754	1.1
73.08482	0.8
74.06093	7.4
74.98936	0.7
76.02251	0.7
77.88995	0.7
81.03452	0.8
81.07074	0.8
82.06589	1.7
83.04999	1.2
83.06114	1.4
84.04511	25.9
84.08151	31.7
85.02902	3.1
85.08492	1.1
86.06074	11.0
86.09713	100.0
87.05602	9.4
87.10023	1.4
88.04000	2.0
90.19640	0.7
91.05489	2.6
91.85236	0.7
93.07046	0.9
94.06582	1.0
96.04494	0.8
96.08140	1.7
97.02882	1.0
97.06528	0.9
98.02424	1.2
98.09684	4.8
99.04434	0.8
101.07162	5.3
102.05560	3.2
105.07048	1.4
107.04974	1.2
110.06041	1.6
110.07189	6.2
110.09686	1.4
111.04432	1.1
112.02203	0.7
112.04022	0.7
112.07623	0.8
112.08763	1.8
113.07165	1.5
113.10886	1.0
114.05557	0.9
114.09177	8.4
116.07124	2.0
119.04965	3.3
120.06616	1.0
120.08110	3.4
121.02913	1.5
121.06512	2.2
124.07610	2.0
127.08731	2.1
128.10696	0.9
129.06628	1.4
129.10251	14.2
129.11139	1.2
130.05014	44.4
130.10606	1.2
131.11798	1.4
133.06461	0.8
133.10179	1.0
136.06146	0.8
136.06595	0.9
136.07593	9.3
138.06618	1.0
138.09201	1.2
140.01698	0.8
140.14346	1.8
141.10269	2.8
143.11829	2.2
147.04437	4.8
147.07655	65.8
148.06107	1.3
148.07661	0.9
149.09624	1.5
155.08136	1.6
155.11786	1.6
157.13432	1.5
158.02695	1.1
159.11307	40.9
161.09592	1.4
165.05475	1.0
169.09776	3.0
173.12863	4.6
174.09056	1.0
175.11220	3.0
183.07741	0.9
183.11351	2.2
185.12949	1.4
186.12416	1.9
187.10805	24.5
197.09241	2.0
197.12860	1.3
199.10831	0.7
200.14053	3.0
201.12344	5.0
203.10632	1.2
213.12367	1.4
214.11884	13.3
215.10254	1.1
215.14001	1.9
217.11876	2.0
218.12241	3.2
219.13405	1.3
221.11729	3.3
225.09917	0.8
228.08644	1.1
228.13446	8.4
229.11948	0.9
233.14987	4.6
237.12428	4.0
239.12791	1.2
242.15004	3.6
243.13409	4.7
246.14595	3.0
247.12888	0.7
255.17085	2.1
260.16080	52.7
265.11859	1.1
269.12747	0.7
282.18243	2.6
299.17017	1.0
300.19162	9.3
313.22504	1.1
325.12888	6.4
327.20471	2.9
338.07895	1.0
359.23328	0.9
392.53671	1.0
411.22406	1.0
424.22891	1.3
428.24878	1.1
446.14484	1.4
446.26715	4.8
449.90567	0.9
455.90845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77337	0.5
53.03949	3.1
53.56065	0.4
55.01851	0.9
55.05517	0.8
57.03430	1.4
61.02929	2.8
69.03430	8.9
70.06588	0.5
70.34645	0.5
71.04991	4.3
71.07671	1.2
73.02922	2.2
81.03421	12.3
85.02909	69.0
86.09698	0.9
87.04458	1.2
91.03948	0.9
91.05454	0.5
97.02900	25.2
99.04461	37.2
103.03947	87.4
105.07049	2.5
109.02886	15.6
115.03943	1.7
127.03924	100.0
136.55504	0.6
145.04967	61.2
163.06027	53.0
169.04951	1.1
171.48521	0.5
187.06029	5.5
205.07063	3.6
233.41977	0.5
253.06949	1.7
271.08151	7.1
289.09210	7.5
299.12549	0.5
307.10251	15.9
411.16083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01061	0.7
64.21498	0.7
65.24653	0.7
70.06592	2.6
71.50843	1.0
72.08154	3.7
81.09718	0.8
84.04491	2.1
84.08135	5.1
84.80147	0.7
86.09697	5.2
89.47614	0.7
94.93029	1.7
96.04503	3.0
98.09702	2.0
98.97599	3.2
103.83192	0.8
110.97598	1.7
112.89608	22.9
112.90393	1.2
114.89349	8.5
120.87592	0.7
129.10277	2.1
131.01892	0.7
139.91478	19.8
140.91347	0.8
141.91313	6.4
152.05659	1.6
161.03065	1.1
164.00418	0.8
173.02971	1.1
178.23427	0.8
185.08760	0.6
202.89087	4.0
219.01881	1.1
227.99496	0.9
232.90172	1.0
237.02921	1.2
240.86821	1.0
242.86473	0.8
266.03564	4.5
270.96304	2.1
284.83743	3.0
318.08600	0.9
344.80099	0.7
344.81815	0.8
344.85730	5.3
345.92667	0.9
446.14377	100.0
446.27264	2.6
447.14996	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	9.5
55.05513	40.5
56.83461	3.9
57.07076	39.9
67.05514	19.5
69.07074	67.6
71.08639	27.9
73.88949	3.8
79.05486	20.8
81.07065	55.3
83.01311	4.2
83.04939	4.2
83.08620	46.6
85.10175	14.7
91.05466	9.2
93.07051	26.4
95.04942	4.8
95.08617	46.9
97.06509	10.4
97.10165	22.4
98.20728	7.6
105.07020	8.4
107.08616	27.1
109.10140	20.9
111.08071	9.7
111.11713	14.3
119.08573	6.3
121.06493	6.8
121.10105	10.4
123.08076	8.6
123.11705	11.0
124.05199	7.4
125.13269	6.2
126.48429	3.8
126.55449	3.8
135.11647	16.1
137.05965	11.1
139.07549	100.0
147.11557	3.9
149.09598	4.1
149.13249	10.6
151.07481	11.0
154.93497	3.6
158.08636	4.1
163.14864	7.8
165.05519	18.0
165.09116	16.6
177.16362	3.9
181.08621	4.0
189.12668	5.6
193.08635	10.0
200.79465	3.5
203.10654	6.5
289.28925	11.0
307.29968	20.1
314.81750	3.5
333.19714	3.8
333.91626	4.9
344.60431	4.9
394.53674	3.6
417.37274	8.0
427.35654	7.8
445.36859	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.5
57.07079	4.2
67.05510	4.2
69.06737	1.0
69.07073	15.6
69.21766	3.7
69.22191	3.2
71.08624	1.3
71.65824	0.8
79.05492	1.9
81.07058	8.8
83.08617	8.5
85.06570	0.9
91.05479	2.8
93.07034	3.3
95.04943	1.1
95.08609	8.6
97.10181	4.8
104.69282	0.8
105.07021	3.0
107.08603	3.6
109.10167	6.5
111.11686	2.2
119.08574	4.8
121.06538	0.7
121.10136	3.4
122.07316	0.8
123.11683	3.1
131.08549	1.1
133.10133	2.1
135.08070	3.2
135.11670	3.0
137.09621	7.7
137.13319	0.9
139.07568	1.3
143.08623	0.9
145.10129	2.2
147.11697	1.3
149.09619	8.1
151.07602	1.0
157.10161	1.7
159.11707	1.6
161.09616	0.9
162.06697	1.0
163.11205	7.9
165.09117	100.0
166.09366	0.9
173.09616	1.2
173.13303	1.7
175.11192	3.1
175.14827	1.2
177.09128	5.5
177.12709	0.8
179.10623	1.2
187.11211	1.0
189.09068	2.2
189.12706	0.9
190.09914	1.0
191.10667	4.5
199.11176	2.3
201.12648	1.7
203.10658	4.7
203.14293	1.5
205.12257	6.7
217.19650	1.1
219.13818	1.9
245.15454	0.8
303.22980	1.1
323.97513	0.8
409.34421	1.2
427.35715	6.2
445.20172	1.5
445.31149	1.5
445.36798	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	445.3677
Annotation	Swinhosterol B
Peak:m/z	Relative Intensity
55.05510	34.8
55.75541	6.2
57.07079	69.5
58.62863	6.5
67.05508	14.5
69.07063	43.2
71.08645	49.4
71.16059	14.3
72.27227	5.8
79.05502	8.4
81.07061	38.0
83.01316	11.9
83.08618	29.7
85.10179	21.4
95.08599	18.8
97.10166	12.4
99.04472	8.8
105.06981	7.1
107.08633	13.2
109.06531	57.2
109.10106	13.8
111.08107	7.0
111.11710	9.4
119.08557	16.0
121.10128	8.2
123.08070	10.2
127.51847	6.7
131.08557	14.3
133.10139	16.1
135.08095	11.0
137.05981	100.0
139.07593	14.2
146.95424	6.0
149.09642	17.0
151.07542	40.0
161.09607	19.0
165.09143	24.1
174.38124	7.9
175.11189	14.3
177.09071	12.5
179.10632	9.0
189.12701	14.5
193.12192	10.6
203.10738	7.7
203.14272	8.2
207.13821	20.3
221.15320	10.5
231.13857	9.4
235.17110	7.1
249.18510	11.4
259.20468	7.2
277.21472	11.6
316.73285	7.0
385.34653	35.1
393.70337	6.7
399.36304	30.5
403.35724	20.6
417.37140	41.4
427.35825	24.2
445.36874	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	globosterol
Peak:m/z	Relative Intensity
53.03949	2.7
55.01871	11.0
55.05515	44.9
56.38684	2.5
57.07075	45.9
67.05508	21.2
69.03428	3.2
69.07070	83.7
71.08637	30.2
71.23210	3.3
73.58914	2.2
75.98240	2.5
76.87708	2.3
79.05505	16.6
81.07057	68.4
81.81339	2.5
83.04974	6.7
83.08621	53.3
85.10199	17.5
91.05476	10.2
93.07046	36.0
95.04934	3.7
95.08614	51.9
97.06544	8.4
97.10169	34.4
99.11837	2.5
105.07011	6.6
107.08617	29.5
109.06543	3.4
109.10152	23.9
111.08075	12.9
111.11726	24.0
112.07736	2.3
119.08563	6.1
121.06512	9.0
121.10162	21.4
123.08055	9.6
123.11707	12.7
124.05243	4.1
125.13275	10.4
133.10139	5.3
135.08064	4.8
135.11705	12.2
137.05965	8.2
137.09645	5.1
137.13266	5.5
139.07545	100.0
139.14839	3.1
145.10165	2.8
147.11731	2.6
149.09624	7.1
149.13292	18.6
151.07555	11.1
151.14870	2.6
157.10199	3.2
159.11690	4.1
161.13249	4.4
163.14841	14.7
165.05466	15.1
165.09116	33.0
167.07021	2.8
171.11688	3.0
175.11183	4.5
177.09155	5.6
177.16399	4.5
179.10703	3.1
181.08562	4.3
181.15807	2.8
189.12697	3.2
191.10863	2.6
191.17877	2.8
193.08620	17.9
202.09842	2.8
203.10661	4.8
205.12364	2.6
217.12213	6.6
219.13823	2.6
221.11717	5.6
231.13867	6.9
235.13190	2.9
245.15439	3.8
273.35895	2.2
280.48080	2.6
289.28885	20.1
305.21152	2.5
307.29907	25.2
351.49115	2.4
399.36124	5.8
409.34464	3.9
417.37268	8.5
427.35568	11.3
445.36832	58.8
446.37097	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	445.2948
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
51.02374	1.2
53.03937	1.7
55.01876	2.0
55.05523	10.3
57.03433	2.3
57.07067	1.1
61.02902	1.3
65.03944	1.3
67.05508	26.0
69.07072	8.6
69.56735	0.8
70.06573	1.7
70.24226	1.4
70.24604	1.5
71.04985	2.7
77.03922	1.0
79.05499	23.5
79.75450	0.8
81.03403	1.0
81.07061	27.7
82.64139	0.9
83.04971	2.6
83.08624	3.6
84.08151	1.4
85.02884	2.0
91.05486	34.8
93.07052	19.8
95.04980	4.4
95.08617	14.5
97.06532	3.0
97.10189	2.3
98.09693	1.7
103.05444	1.3
105.07038	30.6
107.04952	2.6
107.08608	11.5
109.06522	3.6
109.10176	5.1
111.08100	1.1
115.05454	1.1
117.07034	16.6
119.07816	1.5
119.08593	18.8
119.09383	1.6
120.08058	1.0
121.06526	4.2
121.10140	6.9
123.08047	2.1
123.11703	1.3
125.02366	0.9
125.09638	1.2
128.06224	3.4
129.07031	11.0
131.08580	26.4
133.06503	2.2
133.10161	9.2
135.08078	1.9
135.11722	3.7
137.09653	2.3
140.14343	1.4
141.06995	3.1
143.08566	12.1
144.09268	0.9
145.06482	2.1
145.10138	13.9
147.08029	2.1
147.11694	2.9
149.09639	2.0
149.13234	1.4
151.11322	0.9
153.07004	0.9
155.08527	5.5
157.10167	6.2
159.08000	1.1
159.11714	8.1
161.13300	1.5
167.08534	1.4
169.10143	4.3
171.11703	5.4
172.41096	0.9
173.13322	2.6
175.11154	1.5
175.14818	1.0
181.10190	1.9
183.11687	4.6
185.09688	0.9
185.13277	3.1
187.14937	1.3
195.11795	1.2
197.13307	3.5
199.14813	2.1
201.12767	1.2
209.13326	1.7
211.14838	2.4
221.13278	1.1
223.14850	2.3
225.16451	1.3
227.14297	1.6
241.15993	1.6
245.15265	1.3
247.17081	2.1
259.17010	1.1
325.25317	2.7
335.23685	2.5
343.26401	4.2
353.24738	10.0
371.25745	13.0
389.26950	11.9
397.47366	1.1
427.28333	3.4
444.74051	1.2
445.29541	100.0
446.29883	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.5
55.05523	3.4
57.03430	0.8
57.07071	1.5
61.02925	0.7
67.05511	5.4
69.03437	1.6
69.07075	5.4
70.06588	1.8
71.04991	1.4
71.51987	0.6
75.08664	0.5
79.05498	2.2
81.03434	1.4
81.07055	6.3
81.99079	0.5
83.01350	1.4
83.04990	1.8
83.08620	2.1
84.08147	2.1
84.87717	0.5
85.02901	1.9
85.06535	0.7
86.09705	1.3
91.05452	3.6
93.07053	3.9
95.04994	1.4
95.08616	10.5
97.02907	1.0
97.06551	1.0
97.10168	2.1
97.10909	0.4
98.09726	1.2
105.07037	4.7
107.04957	0.9
107.08607	3.1
108.05779	0.7
109.10157	3.5
111.04443	5.2
116.06231	0.5
117.07020	0.8
119.08590	1.7
120.08123	1.0
121.06490	3.4
121.10159	1.9
123.08091	9.7
123.11687	1.2
125.05922	0.6
125.09560	0.5
126.12767	0.6
129.06981	0.8
129.10202	0.8
131.08572	3.4
133.10133	2.1
135.08069	7.5
135.11714	1.3
137.05995	1.0
137.09587	0.8
143.08626	0.6
145.10098	2.9
147.08017	0.7
148.07574	0.5
149.05989	0.7
149.09660	4.0
149.13313	1.2
151.07549	89.6
152.07938	0.9
155.08559	1.1
157.10223	0.8
158.07266	0.9
159.08081	3.4
159.11702	2.3
161.06017	0.9
161.09657	0.8
162.06757	2.1
163.07520	0.9
163.11203	6.2
165.09120	3.8
169.10130	0.6
171.11632	0.8
173.09599	3.8
173.13358	0.6
175.07561	1.5
175.11180	0.9
176.08311	6.5
177.09114	38.0
187.11211	2.1
189.09068	1.6
189.12730	0.8
190.09949	2.9
191.10680	100.0
192.11084	1.0
193.12328	0.6
199.11198	2.4
201.12653	0.6
203.08945	0.5
203.10638	2.8
205.12245	41.5
206.12549	1.0
215.14348	0.6
217.12315	0.8
219.13835	3.5
231.13713	0.9
233.15393	0.7
263.23770	0.7
289.25150	0.6
295.97586	0.6
359.02759	1.2
381.31525	0.5
399.32550	1.3
409.30875	1.4
427.32199	8.1
444.74509	0.7
445.20035	0.7
445.25629	2.3
445.33426	4.9
445.57651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.295
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
51.02392	0.7
53.03951	2.6
53.06710	0.5
55.01863	2.3
55.05273	0.7
55.05515	9.6
57.03434	1.7
57.07077	0.9
60.94698	0.4
65.03928	1.6
67.05509	25.8
69.03437	0.9
69.07072	7.5
69.52682	2.6
70.06599	0.6
70.50033	0.4
70.89835	0.4
71.04984	1.9
79.05499	25.5
81.03423	1.4
81.07059	22.5
83.04981	2.1
83.08624	5.5
84.08119	0.5
85.06533	1.8
91.05487	31.7
93.07049	23.2
93.07648	1.1
94.07305	0.5
94.76690	0.6
95.04965	3.2
95.08612	16.6
97.06538	2.5
97.10157	1.9
99.08121	0.6
100.71851	0.5
103.05466	1.6
105.03462	0.6
105.04536	1.6
105.07039	29.4
107.04958	2.9
107.08597	10.5
109.06519	2.9
109.10154	6.7
111.08104	1.1
115.05460	2.1
116.06219	0.9
117.06239	0.9
117.07024	16.1
119.08589	19.5
121.06520	3.3
121.10151	6.1
123.08076	1.9
123.11745	1.4
125.09654	1.5
128.06224	3.3
129.07013	12.1
130.07834	0.9
131.04907	0.5
131.08578	23.6
133.06467	2.1
133.10138	10.3
135.08072	2.8
135.11699	2.5
137.09653	1.8
141.06993	4.6
142.07803	1.6
143.08560	10.0
145.06448	2.1
145.10126	13.8
146.13464	0.5
147.08032	2.4
147.11691	3.8
149.09610	1.8
149.13222	1.1
151.11205	0.9
155.08540	5.8
157.10133	7.3
159.08054	2.0
159.11702	6.6
161.09608	1.6
161.13235	1.1
163.11131	0.7
166.07927	0.6
167.08582	2.4
169.10133	4.5
171.11697	5.9
173.13234	2.5
175.11182	1.1
177.12796	0.8
179.08578	0.7
181.10132	2.2
182.10803	0.6
183.11702	2.9
185.13303	3.2
187.11150	1.0
187.14841	2.1
189.12750	0.8
193.12202	0.5
195.11670	2.3
197.13275	2.3
199.14771	2.6
201.12720	1.0
201.16397	1.1
203.14223	0.7
209.13263	2.3
211.14890	2.1
213.12799	0.8
213.16391	1.1
215.14359	0.9
221.13358	0.7
223.14865	1.8
225.16382	1.6
227.14293	0.6
227.18065	0.7
229.15926	1.2
233.15251	1.2
235.14883	0.7
237.16396	0.7
239.17830	0.6
241.15755	1.4
243.17468	0.9
245.15443	1.3
247.17006	1.6
255.17429	1.0
259.16901	1.3
261.18436	0.9
269.19016	0.5
270.93280	0.6
273.18484	1.3
287.20187	0.7
317.22638	0.9
325.25278	1.4
335.23679	3.6
343.26340	3.1
353.24780	10.8
371.25876	12.8
389.26904	11.7
427.28430	2.6
445.29501	100.0
446.29935	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	442.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
53.27965	0.5
55.01869	6.3
57.03439	15.4
57.07058	0.8
59.05007	1.2
61.02929	12.3
69.03432	31.4
71.01353	4.2
71.04993	2.0
71.08630	1.5
73.02921	67.1
81.03421	7.8
85.02908	100.0
87.04486	5.0
91.03960	3.3
94.11625	0.6
97.02894	61.2
99.04454	5.6
101.02364	0.8
103.03953	3.5
105.17303	0.6
109.02879	9.8
111.04443	0.7
113.77303	0.7
115.03935	29.9
127.03922	33.1
133.04968	44.0
144.06560	0.8
145.04962	52.4
150.07603	2.1
157.04991	1.2
163.06021	28.5
169.04958	1.0
193.04973	1.7
199.05927	0.9
211.06006	0.8
217.07202	1.5
223.06015	8.1
229.06908	0.7
241.07060	8.1
255.27669	0.6
259.08160	9.8
277.09286	2.3
289.78577	0.8
293.19696	1.6
295.10202	2.5
415.17471	0.6
442.25253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01876	0.8
55.05518	8.1
56.05037	3.0
57.03444	1.3
57.05821	1.0
60.04535	1.7
60.05667	0.4
65.03942	0.5
67.05508	1.6
68.05035	4.2
69.03448	1.8
69.07054	1.1
70.06598	27.9
71.04993	1.5
71.06934	1.4
71.51903	0.5
72.08161	100.0
73.02917	1.0
74.02444	1.8
74.06084	2.0
79.05482	0.8
81.07088	0.6
82.06590	1.0
83.04969	0.6
83.06106	1.3
84.04517	5.5
84.08152	26.4
85.02913	3.0
85.06541	0.7
85.08517	1.0
86.06070	6.9
86.09713	68.8
87.05591	5.6
88.04008	1.3
90.05601	0.5
91.05464	4.4
92.11926	0.4
92.77918	0.4
93.07048	0.9
95.06094	0.7
95.59592	0.4
96.04491	1.0
97.02896	0.7
97.06557	0.6
98.09694	4.1
100.07626	0.5
101.07153	2.0
102.05560	1.1
104.10831	0.5
107.04977	0.9
109.02911	0.5
110.07181	3.7
110.09689	0.6
111.09216	0.7
112.08744	1.2
113.07162	1.1
114.05566	2.4
115.03965	0.6
115.05901	0.5
115.08713	0.8
116.03458	0.8
116.07088	0.8
118.64186	0.5
119.04924	3.8
120.08119	2.5
121.02856	1.5
121.06501	2.4
122.06017	1.3
122.06858	0.5
123.04412	0.7
124.07586	0.5
126.12799	0.8
127.03901	0.7
127.08681	2.2
129.10249	20.5
130.05006	1.4
130.10559	1.0
132.10240	0.6
133.06093	31.6
134.06006	0.6
136.07591	33.8
138.09174	1.1
139.08711	0.6
140.07144	0.6
140.14352	1.7
143.08136	0.6
145.09787	0.6
147.04398	2.4
147.07631	0.9
151.11159	0.6
152.07118	0.5
155.08119	1.5
157.09749	1.0
164.07083	0.9
165.05453	0.9
169.13318	0.5
171.14961	2.8
173.12843	0.5
182.08118	1.4
183.11209	0.7
185.09216	0.5
185.16508	29.5
187.10797	1.2
190.12256	1.1
197.16495	0.8
199.14383	1.9
200.13927	0.9
209.10451	0.6
213.15991	35.6
215.10275	5.9
215.13857	1.0
216.09813	0.5
226.12039	0.6
228.13489	0.7
229.15436	1.8
232.12941	46.7
234.98898	0.6
235.14429	13.3
236.14809	0.5
242.18695	3.5
260.12939	0.7
263.13913	5.5
267.20581	1.5
270.18079	1.0
281.14774	1.0
286.17587	1.6
288.12210	1.5
305.14813	1.0
306.13379	2.9
312.22778	10.6
315.12100	0.5
331.19684	1.3
355.26938	0.8
357.64804	0.5
381.51126	0.5
417.20486	0.9
426.08841	0.5
426.23273	0.9
441.56567	0.6
443.73715	1.0
444.27936	1.6
444.73535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.01853	1.8
55.05504	0.8
56.05032	3.0
56.96553	0.8
57.03444	3.5
58.06582	1.0
60.04515	1.3
60.05646	1.1
61.02941	3.2
62.72327	0.5
67.05493	1.4
68.05035	4.2
69.03094	0.6
69.03435	9.4
70.02925	0.7
70.06595	11.8
70.12598	1.4
70.12991	1.3
71.04976	1.3
72.08144	2.4
73.02915	3.2
74.06066	1.8
80.04986	0.7
81.03413	3.1
82.06583	1.1
83.04994	0.7
84.04497	3.1
84.08145	42.4
85.02908	15.7
85.07615	0.8
85.08466	0.6
86.06071	8.0
86.09717	3.0
87.04472	3.6
91.03963	1.0
91.05492	2.9
96.02032	0.6
96.04496	0.7
96.08113	1.3
97.02892	7.3
98.06033	1.9
98.09687	3.8
98.97580	3.6
99.04432	1.1
101.07140	0.8
105.07019	0.9
109.02872	2.1
109.08895	1.1
110.07162	2.5
110.09701	1.4
110.97584	0.9
112.08713	1.2
113.07114	1.6
114.05495	0.8
115.03967	0.7
119.04945	4.2
120.08115	1.9
121.06464	1.6
126.09161	9.6
127.03944	4.1
127.08630	0.6
127.09908	0.7
128.10721	3.1
128.98526	0.9
129.10219	2.9
136.06152	1.1
136.07593	3.3
138.06593	1.1
138.71266	0.5
140.14307	1.0
145.04968	3.3
145.21245	0.6
147.04411	9.0
148.07549	0.8
149.55951	0.5
155.09282	1.0
156.07744	0.6
158.53893	0.7
159.54665	0.9
161.01370	0.7
167.54332	0.6
177.00676	0.8
179.11815	0.8
181.13324	4.7
197.12852	33.7
201.00684	1.3
203.04022	0.8
209.10393	0.9
219.01770	4.0
219.06648	0.8
221.05154	0.7
237.02826	4.7
244.12946	1.9
264.08783	0.6
280.20184	1.3
298.05862	0.7
300.07620	1.7
302.10870	0.8
316.07022	0.7
318.08652	1.9
358.08109	1.1
358.75580	0.6
359.18130	100.0
360.09668	1.2
360.18448	1.7
410.23175	0.6
422.22430	0.7
425.45578	0.6
432.22583	0.7
441.56641	0.7
441.90625	1.0
442.15393	0.7
442.25684	7.8
450.23389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05499	1.6
57.07070	1.2
65.60288	0.5
67.05511	2.8
69.07070	3.3
70.95919	0.5
79.05491	2.5
81.07057	8.5
83.08611	1.9
91.05484	1.7
93.07047	4.7
95.04958	0.5
95.08608	11.4
97.10176	0.5
97.77720	0.6
98.44985	0.6
105.07021	2.2
107.08594	7.4
109.10152	8.3
111.08100	0.6
119.08579	3.3
121.06515	1.0
121.10136	9.8
121.10946	0.9
123.08062	1.1
123.11711	7.7
125.09669	0.8
133.10178	2.7
135.08063	2.4
135.11703	5.2
137.13271	4.7
145.10120	0.8
147.11670	2.5
149.09624	2.4
149.13272	3.9
151.11166	1.3
151.14862	0.8
157.10190	0.5
158.10785	0.5
158.98271	0.4
159.11737	1.4
160.50848	0.5
161.09596	0.9
161.13266	2.5
163.11168	0.8
163.14835	2.2
171.11688	0.5
173.13298	1.1
175.11147	0.7
175.14842	2.6
177.12798	0.9
177.16345	0.9
187.14857	0.9
189.16388	2.1
191.14500	0.6
191.17975	0.8
201.16306	1.4
203.14404	0.9
203.17986	1.8
205.15868	0.7
213.16626	0.5
217.15936	0.7
217.19467	0.6
236.30965	0.5
259.24222	0.7
273.25613	0.7
287.23676	5.0
301.25287	7.1
423.36215	0.8
441.37299	100.0
442.37717	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.05513	5.4
57.07058	2.2
65.03938	0.6
67.05509	4.8
69.07066	10.4
69.85069	0.5
70.08639	2.2
73.91542	0.6
75.17764	0.6
76.75841	0.5
79.05489	6.4
81.07055	21.8
83.08621	5.3
85.10155	0.6
87.30009	0.6
91.05453	2.2
93.07049	11.8
95.08610	41.6
97.10162	5.1
98.21458	0.7
105.07041	3.7
107.08598	31.6
107.71604	0.5
109.06520	0.6
109.10159	22.0
111.11705	1.1
119.08573	4.8
121.10146	27.5
123.11718	6.7
133.10141	4.9
135.11694	22.5
137.13264	2.2
145.10129	1.9
147.11678	3.9
149.09581	0.7
149.13264	5.7
151.14830	2.3
157.10136	1.1
159.11694	2.3
161.13232	1.7
163.14867	1.6
171.11696	2.2
173.13235	2.6
175.14761	1.6
177.16415	1.0
185.13205	1.3
187.14839	1.8
189.16331	0.7
191.17950	100.0
192.18332	1.5
199.14835	1.3
201.16458	1.2
205.19293	0.6
227.17987	1.7
229.19484	0.9
241.19547	1.4
256.81561	0.7
257.22733	0.8
259.20599	0.7
269.22650	3.0
283.24200	1.6
285.22086	1.3
287.23843	0.8
306.93478	0.7
405.35455	1.2
423.36377	9.1
441.37296	99.3
442.37619	2.1
461.08319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
52.08218	0.6
52.40557	0.6
53.03954	0.7
55.05505	2.3
56.81438	0.5
57.07064	1.3
67.05511	3.0
69.03435	0.9
69.07081	5.1
69.51036	4.0
77.98032	0.7
79.05501	1.4
81.07060	8.8
83.04984	3.5
83.08623	1.6
85.06554	0.9
91.05473	1.8
93.07052	4.4
95.04987	0.8
95.08613	13.8
97.06539	1.1
97.10170	1.5
105.07018	3.9
107.08604	11.2
109.06509	1.5
109.10166	7.4
111.08099	1.0
111.11740	1.7
119.08611	4.9
119.99767	0.6
121.06512	1.2
121.10158	8.0
123.08059	1.6
123.10962	0.6
123.11711	3.7
131.08568	1.4
133.10132	5.5
135.08112	2.9
135.11694	9.1
137.09634	1.1
137.13326	2.1
139.11234	1.3
145.10129	1.6
147.11670	3.7
149.09639	12.3
149.13263	2.8
159.11659	2.7
161.09688	0.7
161.13274	3.1
163.11250	1.4
163.14900	1.3
173.13306	1.5
175.11143	0.6
175.14868	2.9
177.12804	1.0
177.16377	3.1
179.14307	0.5
185.13280	0.7
187.15001	1.2
189.16397	5.2
191.14380	1.2
191.18018	5.2
203.17902	0.7
205.19629	1.3
207.17427	0.9
213.16202	0.7
215.18010	2.1
219.17442	1.1
229.19630	0.9
231.17549	1.1
233.18951	3.6
235.16890	1.9
259.20819	0.8
261.22388	0.7
269.22784	0.9
287.23734	7.3
301.25394	0.7
302.53360	0.7
380.42828	0.7
405.35492	0.8
423.36368	3.2
441.37323	100.0
442.37668	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	441.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.8
52.52249	0.6
55.05514	7.7
57.03424	2.2
57.07070	2.9
59.05016	0.7
65.04442	0.8
65.18349	0.7
67.05508	10.1
69.03431	0.9
69.07069	12.3
69.81572	1.5
69.81960	1.7
71.08631	8.0
72.05009	0.7
75.04426	0.8
79.05498	6.4
79.58801	0.7
81.07058	16.6
83.04968	2.0
83.08620	6.7
85.06546	1.7
91.05475	5.5
93.07048	8.1
95.04982	1.4
95.08611	17.1
97.06527	3.2
97.10178	1.3
99.08094	6.7
105.07035	6.7
107.08606	11.0
109.06541	8.1
109.10156	6.3
111.04424	1.1
111.08076	2.8
119.08574	7.8
121.06522	2.2
121.10147	5.5
123.08070	25.3
123.11713	2.9
125.06014	0.9
125.09573	0.9
131.08578	2.4
133.10112	7.2
135.08070	5.7
135.11674	3.7
137.09581	1.7
137.13239	1.8
145.10133	3.9
147.11726	3.7
149.09598	2.6
149.13239	2.6
151.11215	1.5
153.12737	3.7
153.61528	0.7
159.11729	2.1
161.13263	2.4
163.14893	1.5
165.12694	1.4
167.14349	1.4
173.13292	1.0
175.14854	1.8
177.12779	2.0
177.16376	1.3
179.14313	34.8
181.15942	0.9
181.17702	0.7
187.14810	0.9
189.16402	1.2
191.14334	2.7
193.15872	1.1
205.15932	1.2
219.17363	1.2
233.19044	0.9
251.20016	9.2
275.20251	1.8
293.21179	8.0
293.28436	2.2
303.26880	10.2
321.27859	2.3
331.26334	35.9
349.27371	43.5
405.29938	5.6
423.31064	100.0
424.31464	1.4
441.26633	1.2
464.85291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
55.01862	1.2
55.05499	1.6
57.07075	32.0
62.40094	0.8
67.02882	0.8
67.05486	2.0
69.03417	1.0
69.07047	2.4
69.42399	0.9
69.55989	6.4
71.08633	60.9
73.06548	1.7
74.18439	1.0
77.03931	2.5
79.05470	1.7
81.07065	2.4
85.10183	35.1
85.10962	1.3
87.04477	4.6
89.06032	100.0
90.99184	1.1
91.05485	18.4
93.06484	1.7
93.07050	26.8
95.04961	4.6
95.08585	3.0
95.56503	0.9
98.21429	1.7
103.05461	7.5
105.04511	3.8
105.07053	4.5
106.05738	0.9
106.63508	1.1
107.04948	4.1
107.08578	4.0
109.06510	1.1
117.07011	1.7
119.04969	4.6
119.08588	6.8
121.06505	88.9
121.10123	2.1
127.14767	1.1
130.08617	3.2
132.09364	1.1
133.08606	65.1
133.10143	1.6
135.08058	6.7
135.11674	2.0
145.10106	1.8
147.08047	12.4
149.09633	4.5
149.13254	1.8
150.06769	4.3
161.09628	0.9
162.09091	1.3
163.11134	3.8
163.26846	1.0
165.09114	49.8
165.10509	2.4
167.10693	2.2
170.95586	0.9
177.11238	10.2
177.12679	2.0
193.12268	1.1
209.11713	24.9
211.41595	1.0
227.12654	6.1
247.20564	14.5
271.15372	4.3
291.23209	21.6
315.18021	57.3
335.25763	1.8
441.32874	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	441.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
55.05506	0.7
56.05038	2.2
56.96574	0.3
57.03436	0.6
57.05822	0.4
58.06602	0.9
58.42214	0.3
58.70678	0.3
60.04525	1.6
60.05647	0.4
61.02931	0.5
66.17233	0.3
67.05498	0.8
68.05036	2.5
69.03429	1.3
69.07072	8.2
69.84389	1.6
70.02958	0.5
70.06593	10.0
71.04990	0.7
71.06946	0.4
72.08159	3.4
73.02909	0.6
74.06078	1.2
79.05486	0.5
81.03424	0.6
81.07043	0.5
84.04496	2.1
84.08147	11.9
85.02901	2.3
85.08485	0.5
86.06077	5.3
86.09707	100.0
87.05617	0.5
87.10035	0.5
88.03985	0.4
91.05474	1.7
93.07034	0.4
95.06072	0.5
96.04479	0.6
97.02881	0.8
97.06524	0.4
98.06061	0.7
98.09701	2.3
98.21447	0.4
98.97569	0.7
99.04471	0.4
102.05530	0.4
103.05525	0.3
105.07036	0.4
107.04955	0.4
108.08155	0.4
109.02866	0.3
109.06479	0.4
110.07165	3.1
110.09702	0.3
112.08745	0.9
113.07131	0.6
114.05512	0.7
115.03930	0.6
115.08694	0.4
116.07011	0.4
116.70132	0.3
119.04964	0.9
120.08112	2.3
121.06562	0.6
122.06051	0.4
125.07098	0.5
126.12733	0.3
126.98147	0.3
127.03943	0.6
128.07071	0.4
129.06923	0.3
129.10237	3.6
130.05031	0.3
130.06531	0.6
130.10643	0.3
131.08371	0.3
131.54781	0.3
132.10204	2.0
133.04951	0.4
134.05980	0.3
136.06216	1.3
136.07564	2.8
138.06590	0.7
139.08690	0.3
140.10683	0.3
140.14320	0.5
147.04416	1.1
147.08063	0.4
152.98589	0.3
155.08167	0.5
158.05879	0.3
162.05502	0.3
177.05453	0.6
179.11745	0.3
196.65384	0.3
199.18015	0.8
208.02881	4.5
213.12546	0.3
219.02045	0.4
237.13443	0.7
245.18613	44.8
246.18839	0.4
265.04996	0.7
279.13464	0.4
309.07681	3.9
321.18924	0.3
324.10886	0.4
325.10941	1.8
425.88968	0.4
441.09531	0.6
441.14728	0.7
441.19678	0.5
441.24414	0.4
441.57880	0.3
449.89886	0.4
455.90640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.9
57.07080	31.9
67.05493	3.6
69.07062	3.1
69.88543	1.0
71.08635	25.4
73.06538	4.7
79.05482	1.2
81.07047	2.0
83.08612	5.5
85.10184	24.4
87.04472	2.3
89.06033	100.0
91.05489	2.1
91.07582	1.1
93.07097	1.9
95.08615	1.5
96.71893	1.2
97.10153	1.4
99.11735	1.7
105.07028	1.9
107.07054	1.9
107.08559	2.5
114.79108	1.0
117.09100	3.2
130.08647	2.5
133.08606	42.8
141.16382	4.5
177.11221	20.2
182.86247	1.2
185.19006	4.9
195.12250	1.6
221.13741	2.5
226.21696	1.8
229.21634	15.2
239.14949	2.3
245.26477	1.2
269.10544	1.8
273.24319	5.7
283.17535	19.5
295.90381	1.1
335.27734	1.7
355.19040	2.6
379.30649	1.8
423.33197	37.7
440.35910	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.9
55.05516	14.0
56.05047	2.3
57.01996	1.7
57.03440	25.0
57.07078	2.3
58.73169	1.8
59.04995	3.7
61.02928	15.2
63.39467	1.6
67.05492	7.2
69.03435	48.1
69.07072	76.4
70.06586	5.6
70.38100	5.4
71.01351	4.5
71.04988	4.4
72.08130	3.2
73.02512	3.9
73.02921	79.6
73.65401	2.1
79.05512	2.9
81.03409	8.9
81.07041	5.0
83.04972	2.4
84.04500	1.9
84.08140	6.4
85.02910	100.0
85.06465	2.1
86.06046	3.5
86.09706	5.2
87.04459	13.4
91.03934	3.6
91.05466	4.6
93.07050	5.6
95.04955	1.8
95.08613	2.5
97.02895	63.9
98.09692	6.5
99.04443	3.3
99.08044	1.6
101.63016	1.7
103.03922	4.3
105.07044	6.5
107.04886	2.5
107.08633	3.9
108.39371	1.9
109.02886	10.1
109.06486	2.2
109.10098	3.0
111.04493	2.3
111.11728	42.9
114.05545	3.3
115.03206	1.7
115.03935	47.6
118.75731	1.7
119.08565	2.4
120.88094	1.6
121.06512	5.7
121.10149	5.0
122.06011	2.0
123.04424	2.3
123.08047	2.2
127.03926	37.8
132.06560	2.1
133.04025	3.5
133.04967	51.3
133.10141	2.9
135.11687	2.6
137.06038	2.0
137.09546	1.7
143.08557	2.1
145.03928	3.4
145.04980	45.2
145.10107	3.6
147.04475	2.3
150.07628	6.6
154.95024	2.0
155.09424	3.0
163.06023	21.7
163.11195	4.8
165.12778	2.2
191.10643	1.8
202.82805	1.7
217.07137	4.1
223.05978	7.4
225.14882	3.0
241.07028	8.8
243.15948	4.8
259.08170	10.8
277.09277	3.0
283.09668	1.9
295.10257	4.5
315.13290	10.9
347.52005	1.6
356.31467	1.7
404.20386	2.5
440.23413	23.8
440.29672	3.1
441.24460	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	440.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01881	8.2
55.05521	10.3
57.03451	16.3
59.05006	2.6
61.02938	17.6
67.05520	2.5
69.03088	2.1
69.03442	33.1
69.07081	55.4
69.74445	4.0
69.74862	2.1
70.06589	4.2
71.01353	4.7
71.05006	1.6
72.14471	1.2
73.02930	79.0
79.05515	1.5
81.03439	7.2
81.07066	4.6
83.04981	1.7
83.08640	1.0
85.02920	100.0
86.09692	2.4
87.04485	4.1
91.03944	2.3
91.05475	1.3
93.07049	2.1
95.08664	1.1
97.02909	62.1
98.20890	1.8
99.04472	3.1
103.03947	2.1
105.07006	1.6
109.02896	7.5
109.10143	1.5
111.11737	23.8
115.03177	1.9
115.03957	28.4
121.06512	1.3
121.10206	1.2
123.11724	1.2
127.03943	31.6
130.87428	1.2
133.04033	2.3
133.04990	35.1
133.10161	1.6
134.19254	1.1
145.04987	38.6
150.07628	3.4
163.06041	21.6
189.12819	1.5
193.05070	1.2
199.06094	1.7
207.13942	1.8
213.77220	1.2
217.07184	1.4
223.06084	8.1
225.15034	2.6
237.14935	1.8
241.07172	9.5
243.15968	3.7
259.08173	13.1
273.17041	1.5
277.09192	2.7
295.10202	4.5
328.39401	1.2
440.23904	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
52.60212	1.4
53.03942	2.0
55.05512	8.8
56.04988	1.4
56.96564	2.8
57.03444	1.9
57.07076	3.7
58.76405	1.3
61.02924	2.6
65.85477	1.4
67.05510	13.1
69.03424	4.1
69.07077	14.2
71.08635	1.9
79.05502	11.3
81.07063	23.0
83.04977	6.0
83.08627	4.9
85.02925	3.4
91.03930	1.9
91.05476	10.8
93.07045	24.7
95.04996	2.9
95.08624	37.1
97.02896	1.7
97.10189	2.8
98.20728	3.8
105.07026	19.4
107.08609	31.9
109.06524	4.6
109.10166	25.1
111.08079	2.8
117.07023	2.1
119.08598	23.5
121.06528	3.9
121.10151	42.0
123.08091	5.7
123.11752	12.5
131.08604	6.7
133.10143	19.2
134.06013	3.0
134.11758	1.6
135.08084	5.0
135.11717	30.5
137.09651	3.0
137.13261	4.1
139.11217	3.5
142.07771	1.7
143.08586	1.7
145.10161	7.3
147.08055	4.3
147.11716	15.3
149.09636	39.0
149.13246	8.9
151.11234	4.1
153.12793	2.4
157.10138	5.2
159.11707	11.4
161.09624	7.7
161.13304	9.4
163.11153	8.3
163.14844	7.9
165.12767	14.1
166.41789	1.9
171.11708	2.7
173.09558	1.9
173.13280	6.8
175.11220	5.5
175.14902	9.8
177.12790	3.2
177.16447	2.4
185.13222	2.9
187.14885	4.3
189.12746	3.7
189.16444	8.8
189.69475	2.0
191.14374	6.7
191.17963	42.4
193.15912	1.8
199.06375	1.9
199.14902	2.9
201.16431	4.4
203.14307	2.5
203.17998	5.6
213.16415	2.1
215.17928	3.3
217.15935	7.1
217.19493	3.0
225.16425	2.0
227.18050	3.0
229.07454	7.8
229.19513	3.0
231.17455	4.3
231.21182	3.8
247.08595	4.5
252.09044	2.2
257.22739	12.9
269.22653	8.3
271.24292	8.2
335.19086	1.6
335.25793	2.9
354.18848	7.4
354.69055	4.2
362.12863	2.6
380.13785	2.5
403.33868	1.7
421.34671	100.0
439.24240	7.4
439.35760	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.218
Annotation	Ebracteatoside D
Peak:m/z	Relative Intensity
50.10650	0.9
55.01873	3.5
55.05502	3.9
56.05032	3.7
56.74951	1.0
57.03436	9.3
60.04501	1.4
61.02923	3.9
65.03936	2.1
67.05508	86.1
68.05028	4.2
69.03433	13.3
69.07063	2.3
70.06595	23.7
70.56216	3.1
71.01359	2.5
71.04993	3.4
72.08164	9.6
73.02921	13.6
74.06086	1.8
75.54536	0.9
79.05524	1.6
81.03425	3.4
81.07062	8.4
82.06551	1.0
83.06123	2.5
83.08623	10.1
84.04505	5.0
84.08149	16.3
85.02911	25.7
85.06550	24.5
85.08546	1.0
86.06073	4.7
86.09716	8.5
87.04478	3.1
87.83105	1.1
91.05484	3.4
93.07029	1.2
95.04983	1.2
96.08163	1.1
97.02904	15.7
98.06049	1.8
98.09716	2.1
99.04470	2.5
101.07088	1.0
103.03947	2.0
107.04921	1.7
107.08578	1.5
109.02889	3.5
109.10162	100.0
110.07170	11.0
112.08717	2.5
114.05518	1.0
115.03940	8.1
115.08704	1.8
116.07102	1.4
120.08128	6.7
121.02861	1.6
121.06540	1.0
127.03921	6.9
127.11201	57.8
129.10240	6.4
133.04967	8.3
136.07620	4.9
138.09151	1.5
143.11882	1.0
145.04985	7.9
147.04399	2.7
163.06018	2.6
182.12920	1.6
183.11299	3.7
213.12318	1.9
223.06032	1.8
295.06070	1.5
307.06235	1.7
325.07355	2.2
334.14975	1.2
337.07202	1.3
370.71262	1.1
389.17261	1.1
391.08310	1.4
403.08472	1.1
403.14331	1.1
403.24490	1.0
410.93927	1.2
421.19678	1.3
439.10172	2.4
439.21133	8.6
439.25940	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22159	1.2
54.11123	1.2
55.05517	3.0
57.07081	78.4
67.05511	2.6
69.07057	8.4
69.28217	11.9
71.08636	71.5
73.06568	1.7
77.23033	1.4
83.08616	4.5
83.18770	1.4
85.10189	44.7
87.04456	2.1
89.06035	100.0
97.10146	2.6
98.07997	1.3
98.20795	2.2
99.11726	7.1
107.07071	2.5
111.11715	4.5
113.13297	5.0
117.09126	1.3
125.13245	1.8
127.14843	3.8
130.08672	5.0
131.38785	1.2
133.08611	66.5
137.49855	1.2
143.51427	1.4
151.09654	4.4
176.82329	1.3
177.11247	15.4
195.12340	4.1
221.13907	2.3
239.14896	65.2
271.26389	3.6
315.29053	3.2
421.35281	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.6
55.05511	2.1
56.05023	2.6
57.03190	0.8
57.03440	6.1
58.06589	0.9
60.04504	1.4
61.02928	1.7
65.03922	2.7
67.05507	100.0
68.05018	2.0
69.03152	0.8
69.03435	9.0
69.07057	2.5
69.19481	7.5
70.06596	13.9
71.01337	0.9
72.08161	5.2
73.02927	7.0
74.06065	2.1
75.40774	0.8
79.05482	1.6
81.03407	3.1
81.07058	4.2
83.04996	1.2
84.04488	3.6
84.08154	14.0
84.08642	1.7
85.02906	20.7
86.06055	3.5
86.09703	10.1
91.05462	2.0
95.04948	1.1
96.04493	1.2
97.02888	12.9
97.03458	1.5
98.09671	2.0
99.04416	1.3
102.05498	1.2
103.03954	1.1
103.05438	1.0
107.04946	1.5
107.08538	1.2
107.44292	0.8
109.02892	2.2
109.10161	84.9
110.07153	3.7
111.94803	1.0
112.08682	1.2
115.03970	5.1
115.08689	1.1
119.04937	3.2
120.08105	4.4
121.02882	6.2
121.06519	1.4
127.03941	4.2
127.11191	24.2
129.06897	0.8
129.10246	5.0
132.10185	0.9
133.04959	7.1
136.07613	2.0
145.02840	1.0
145.04968	5.7
163.06003	2.3
167.36336	0.8
177.01817	1.6
179.03404	1.0
189.01813	2.6
207.02916	1.7
213.12370	1.4
229.04910	1.5
259.08173	0.9
266.61780	1.0
268.07275	1.8
293.08069	1.1
294.05261	1.7
295.06055	9.6
296.06833	1.1
297.07550	0.9
301.48297	0.9
307.06058	10.7
308.06741	3.3
313.07037	1.7
321.07593	2.7
322.08258	3.1
323.05402	1.4
323.09079	1.4
325.07047	19.3
333.07727	1.7
337.07007	2.9
347.08908	2.0
349.06836	1.3
351.08569	2.7
354.68741	0.9
363.08517	1.0
365.10214	5.6
375.08624	2.8
379.08087	2.4
391.08017	7.2
393.09668	1.3
403.07993	3.2
409.09164	1.8
421.09210	10.5
439.10257	23.9
439.20114	4.6
440.19351	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.2
55.01862	4.7
55.05494	3.5
56.05027	10.6
57.03421	4.1
58.99592	13.4
60.04516	2.6
60.05641	2.1
61.01147	3.8
64.36523	1.5
67.05473	2.8
68.05024	10.0
69.03421	4.2
70.02956	6.6
70.06590	21.9
70.10157	7.1
71.04975	3.1
72.04504	7.4
72.08141	7.1
72.24089	1.5
74.00658	9.6
74.06061	2.0
76.01909	1.5
76.02229	19.0
76.04015	8.0
79.05468	2.2
80.05009	6.1
82.06547	1.8
83.06091	6.5
84.04505	90.2
84.08141	51.5
85.01130	33.4
85.02888	5.5
85.04009	4.1
86.00655	31.4
86.06048	2.9
86.09689	6.6
86.99055	63.4
87.02679	2.0
88.02205	4.7
89.00630	2.1
91.05488	3.1
92.01691	3.3
95.04972	4.5
96.04478	4.2
97.01125	11.3
97.06520	18.8
98.00628	3.1
98.06075	4.1
99.05536	2.1
100.02194	3.4
102.03771	18.9
102.05554	14.3
103.05482	1.5
107.04946	1.6
108.04453	4.7
109.07614	3.8
110.07163	11.7
112.02198	31.0
112.03936	4.2
113.00527	2.3
113.05901	1.6
114.03757	10.7
114.05521	4.1
116.01685	25.1
119.04945	2.7
120.08096	6.5
121.06495	2.5
124.02173	2.6
126.03744	3.3
127.02141	4.6
129.06627	3.3
129.10249	19.0
130.03256	17.2
130.04996	28.2
131.04546	2.8
132.01100	2.1
137.08337	3.8
140.01660	3.2
142.03224	17.2
143.01662	2.7
143.02750	34.3
144.01137	4.5
144.02220	1.6
145.06192	2.4
147.04430	7.9
153.06590	3.4
154.06779	2.5
155.08136	6.9
156.06573	3.9
158.02716	6.7
160.00591	2.0
162.02180	13.5
162.05492	2.4
168.04755	3.0
168.06616	1.6
169.04320	8.7
170.02753	2.3
170.06361	10.1
171.02214	6.3
171.07736	1.6
172.07729	2.4
173.09315	2.3
175.01717	2.5
177.03325	8.4
179.04765	7.6
181.06046	3.7
188.03777	3.7
188.07364	6.1
189.03291	100.0
194.99548	1.9
196.04303	11.0
205.06430	10.3
206.08380	2.6
215.04842	46.2
217.06386	6.5
217.08374	1.7
218.08170	1.9
224.03741	5.0
233.05920	14.7
241.06282	2.3
245.05963	3.5
257.09641	4.0
269.05914	3.1
273.09003	2.7
287.06998	20.4
291.10065	32.9
292.11697	2.6
307.08496	2.2
309.11090	4.7
324.10608	3.6
345.07401	4.0
345.11224	3.1
362.09900	10.2
420.13553	4.0
438.14932	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40449	0.3
55.05502	0.6
67.05511	2.6
69.07072	0.6
70.06576	0.4
70.15038	0.7
70.60660	0.3
71.04993	0.6
79.05498	1.4
80.05019	0.6
81.05822	0.4
81.07047	2.3
83.08618	0.5
84.08145	1.6
85.02930	0.5
85.08497	0.4
91.05486	0.9
93.07052	0.9
94.06595	1.9
95.04927	0.6
95.08606	0.8
98.20785	0.4
103.05502	0.4
105.07029	2.3
106.06554	1.8
107.07346	9.8
107.08575	1.1
108.08133	0.7
109.10184	0.9
117.07054	0.4
119.08594	0.5
120.08115	2.8
121.06458	0.4
121.08912	2.1
121.10149	0.6
122.09675	10.0
122.99828	0.3
126.12836	0.5
129.06952	0.4
131.08588	0.3
134.06071	0.6
135.06813	3.6
145.10162	0.3
147.04414	0.5
148.07565	1.3
149.08394	1.7
150.09148	100.0
151.09496	0.7
156.08092	0.7
157.10100	0.3
158.09668	0.4
163.11162	0.5
170.98308	0.3
184.07648	2.1
186.09108	0.6
212.07065	4.3
214.08598	0.4
227.12804	0.5
228.06552	2.2
240.06554	8.8
241.07086	0.4
242.08145	6.8
268.06049	1.0
275.11530	0.4
288.08582	1.0
291.11221	0.4
300.08676	11.8
304.07996	0.4
305.09213	1.3
319.10843	2.8
320.11520	0.9
333.12320	0.9
334.13004	0.8
347.14163	0.4
349.15475	8.0
371.97729	0.3
377.14899	2.2
405.14481	10.6
415.56921	0.3
437.17145	1.6
437.24167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01870	2.4
55.05508	5.6
57.03440	15.5
57.07076	2.6
59.05004	4.3
61.02932	1.8
67.05505	7.9
68.05009	1.3
69.03433	52.7
69.07067	2.8
70.06597	2.1
70.86962	2.8
71.01357	2.1
71.04994	23.4
73.02943	1.8
73.06568	3.3
75.04469	1.4
79.05515	6.4
81.03420	8.6
81.07063	7.2
83.04986	7.2
83.08625	5.3
84.08154	9.7
85.02913	42.9
85.06549	8.7
87.04474	33.5
91.05513	5.6
93.07032	3.5
95.04969	13.6
95.08613	3.5
95.95882	1.2
97.02896	38.2
97.10161	8.8
98.09697	1.8
98.97565	1.4
99.04452	2.5
103.03918	2.1
105.07041	4.8
107.08598	43.1
109.06522	1.9
109.10162	4.9
111.04437	2.5
115.03940	51.8
119.04939	2.5
119.08556	2.9
121.06488	2.0
121.10163	1.8
123.08071	1.7
125.09636	76.2
126.12769	2.4
127.03934	3.7
129.05473	2.4
131.08626	1.5
132.95848	1.1
133.04976	40.3
133.10144	1.6
137.05949	1.9
137.09627	4.6
143.10681	100.0
145.04976	3.9
145.10176	1.7
147.04425	5.7
148.04723	2.9
149.09653	2.0
163.11180	2.3
167.10695	19.4
169.05016	1.4
169.10031	1.7
179.10616	1.4
185.11699	1.4
191.10735	1.6
197.07997	2.3
209.09969	1.3
209.11757	7.4
221.11824	1.7
227.12759	2.9
233.11729	1.8
239.12744	2.1
251.12880	2.1
257.13776	2.3
269.13794	2.6
287.14978	4.6
363.70404	2.4
437.18054	1.3
437.24356	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	436.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03255	0.7
51.66824	0.7
52.11633	0.8
53.03967	0.8
55.01867	1.3
55.05506	3.1
56.05030	2.5
57.03435	1.8
57.07108	0.8
59.04961	0.7
60.04522	0.8
65.03933	1.2
66.53866	0.7
67.05500	6.3
68.05038	1.5
69.03441	2.0
69.07082	3.6
70.06599	6.1
70.90733	2.5
71.05001	10.3
73.02920	1.5
74.06075	0.8
75.78356	0.8
76.89045	0.7
79.05502	8.3
81.03401	1.4
81.07063	23.2
83.04975	1.8
83.08603	1.5
84.04501	1.7
84.08149	37.0
85.02913	7.9
85.06521	1.1
85.08495	1.1
85.53401	0.9
86.06068	3.5
86.09718	3.5
87.04459	0.7
91.05477	10.5
93.07048	11.2
95.04973	1.2
95.08606	7.9
97.02941	0.9
97.10133	0.9
98.07169	0.8
98.09720	5.4
99.08096	1.0
105.07039	9.9
107.04975	1.9
107.08602	13.0
108.04436	0.7
109.10176	7.4
110.07164	1.7
111.04462	1.9
117.07008	1.2
117.13210	0.8
119.04956	18.1
119.05807	1.3
119.08589	13.6
119.09365	1.1
120.08141	1.2
121.06571	1.2
121.10182	3.3
123.08073	0.9
123.11708	4.3
125.09674	1.9
126.12801	21.5
127.03923	1.3
127.11207	3.4
129.10268	1.3
133.05000	0.9
133.10127	9.7
134.06059	0.9
135.09232	1.1
135.11702	23.8
136.07622	2.0
140.14355	1.5
143.10674	5.2
144.13846	24.5
145.10181	0.8
146.05956	1.5
147.04424	100.0
147.11687	6.8
148.04779	1.3
149.13304	1.7
153.12799	2.8
161.13290	4.3
172.13358	3.6
175.14969	1.0
177.16420	0.9
200.07256	0.8
201.05516	1.6
203.17943	15.8
221.19048	12.5
222.07657	0.9
222.19478	1.0
272.16776	0.8
275.09109	5.9
290.14227	0.9
290.17557	2.9
363.20453	3.1
363.70657	0.9
418.20398	1.1
436.23499	51.1
437.24533	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.05509	11.1
56.05025	4.6
57.03429	4.3
62.72656	2.0
67.05505	12.9
69.03413	5.7
69.07079	12.3
70.06587	8.0
70.14726	7.2
70.15095	2.6
71.05000	18.7
71.05833	2.0
72.08141	2.3
73.02934	3.9
74.06091	2.8
79.05505	21.9
81.03406	2.4
81.07066	67.4
83.08613	6.9
84.04490	2.9
84.08150	38.4
85.02918	19.2
86.06056	5.4
86.09698	4.7
86.64559	2.0
91.05486	20.4
93.07059	35.2
94.06564	2.2
95.05013	3.7
95.08609	35.4
97.02914	4.0
97.06550	4.4
97.10162	3.2
98.09703	5.5
99.08060	4.7
103.05465	5.7
105.07037	30.3
107.08604	49.9
109.06501	2.7
109.10155	32.4
110.07165	2.2
111.11771	3.3
117.07044	3.4
119.04937	19.7
119.08593	43.7
120.08120	4.3
121.05686	2.7
121.06509	38.5
121.10175	14.7
121.18725	2.1
122.09682	2.6
123.08105	2.4
123.11723	14.8
125.09622	6.1
126.12813	19.0
127.11207	17.8
128.06180	2.1
129.06970	2.1
129.10152	2.6
131.08542	4.6
133.10143	27.1
135.11703	63.9
135.12721	3.5
136.07599	3.0
137.13258	4.9
141.07004	2.7
143.08472	5.4
143.10703	20.1
144.13875	19.8
145.04921	2.3
145.06432	2.3
145.10123	8.3
147.04424	100.0
147.11700	25.9
149.13275	5.9
150.09200	2.6
151.11154	3.5
153.12787	4.4
157.10141	5.7
159.11670	3.8
161.13260	14.3
162.09131	3.9
163.14810	5.7
169.10162	2.7
169.17787	2.4
171.11678	3.9
173.13213	3.0
175.14885	2.8
177.16287	2.6
203.17984	65.6
207.11613	2.3
221.19038	58.2
233.15347	4.7
239.20001	4.1
245.03680	2.1
275.09146	4.1
363.20447	4.3
363.70981	2.6
404.17068	14.2
410.17706	2.3
418.27463	6.2
436.18686	8.0
436.23209	37.5
436.28564	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	436.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19519	0.3
56.05024	0.9
65.03929	0.8
67.05495	0.9
69.61330	1.0
69.61742	0.7
71.04993	0.4
83.04990	0.3
84.08148	16.9
91.05490	6.2
98.09687	0.6
98.21544	0.4
107.04956	1.7
109.10126	0.3
111.04497	0.4
119.04949	17.8
123.39859	0.3
126.12800	11.9
144.13843	31.5
145.06564	0.3
147.04414	100.0
148.04761	0.6
201.05486	1.2
207.49519	0.3
217.04912	0.6
233.63684	0.3
275.09174	5.4
290.17505	2.0
293.10031	0.4
315.59476	0.4
340.68652	0.3
432.97552	0.3
436.23334	37.5
437.23624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75402	0.2
55.05504	0.6
56.05034	2.3
65.03941	0.5
67.05495	2.1
69.46819	1.6
70.06585	0.8
71.04985	0.6
81.07066	0.4
81.08255	0.2
82.71548	0.2
83.04967	0.4
83.37218	0.2
84.08143	42.4
85.02917	0.6
91.05484	5.4
91.24187	0.3
97.08950	0.5
98.09687	1.9
107.04936	1.0
109.10160	0.5
111.04487	0.2
119.04942	17.4
124.11222	0.3
126.12791	21.4
138.75888	0.2
144.13835	7.7
147.04407	100.0
148.04758	0.4
157.06500	0.2
158.15440	0.4
201.05476	1.3
217.05022	0.5
275.09137	6.5
275.11972	0.4
290.17535	2.2
293.10254	1.2
338.41315	0.2
412.50076	0.2
436.23303	55.6
437.23892	0.4
461.78815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.3
56.05032	0.7
65.03944	0.5
67.05493	1.0
68.97430	0.3
81.07067	0.2
83.04993	0.3
84.08143	16.0
85.02899	0.3
91.05478	6.1
96.18613	0.3
98.09689	0.5
98.21500	0.9
101.43233	0.3
107.04950	1.1
109.10142	0.4
111.04422	0.4
119.04943	18.8
126.11832	0.4
126.12792	12.5
144.13835	30.0
147.04407	100.0
148.04764	0.5
177.26123	0.3
197.94514	0.3
201.05466	1.4
215.07065	0.4
217.04927	0.4
228.96992	0.3
238.54625	0.3
275.09128	4.8
275.11942	0.5
290.17517	1.9
293.10239	0.7
322.79590	0.3
384.03464	0.4
436.23306	37.2
437.23590	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.6
65.03928	0.4
67.05489	0.5
70.66082	0.7
70.66442	0.5
71.04993	0.3
77.80588	0.3
84.08151	14.8
85.02864	0.3
91.05495	4.4
98.09698	0.3
107.04951	1.3
111.04467	0.5
119.04954	14.9
126.12805	11.8
144.13844	31.9
147.04416	100.0
165.74287	0.3
201.05460	2.0
217.05028	0.4
275.09146	6.2
284.06229	0.3
290.17517	1.9
293.10001	0.6
354.18066	0.3
364.31882	0.3
384.72772	0.3
403.16748	0.3
436.23352	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	434.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.1
55.01871	5.9
55.05513	18.5
57.07082	8.9
59.05005	23.0
60.04539	3.7
61.02938	4.2
67.05503	23.9
68.05029	4.2
69.03419	10.3
69.07059	24.4
70.06609	23.3
71.04991	21.3
71.52003	3.3
72.08150	7.4
79.05506	32.1
81.07059	100.0
83.08626	11.5
84.08154	24.3
85.02934	19.1
85.06544	13.2
86.06068	5.0
86.09705	4.8
91.05486	21.0
92.40910	3.9
93.07048	69.3
95.04958	7.8
95.08615	45.4
97.02907	11.9
97.06527	25.1
97.10171	9.7
98.09679	7.6
99.08098	10.9
103.05511	4.6
105.07035	68.4
107.08595	88.1
108.08904	4.8
109.02888	5.9
109.06535	8.0
109.10162	48.4
111.08082	14.0
115.05405	4.6
115.07584	9.6
119.04997	5.4
119.08604	49.9
121.06522	6.9
121.10148	31.4
123.08065	6.7
123.11729	20.7
125.09634	55.2
127.03878	4.0
127.11194	39.5
129.10301	8.1
130.07748	5.1
131.08574	11.2
133.10138	57.2
135.11691	69.6
140.14297	3.6
141.09084	7.6
143.08778	3.9
143.10690	61.5
145.04950	4.9
145.10135	68.9
147.04445	6.7
147.11723	23.9
148.12045	3.9
149.09564	5.2
149.13239	20.6
151.11223	12.5
157.10085	4.1
158.15382	4.1
159.11723	24.4
160.07706	4.5
161.13271	56.1
163.11214	5.0
169.12297	6.8
173.13307	5.1
175.14868	8.0
177.12720	6.8
177.16434	7.1
179.14342	23.1
185.13040	3.8
191.14326	4.6
191.17966	10.8
201.16371	50.1
216.83516	3.9
219.17462	61.8
235.39034	4.1
236.17325	5.2
237.18460	23.7
254.18471	6.5
254.20998	4.2
259.08459	3.3
288.05936	7.7
290.70737	4.2
391.13885	5.8
416.24725	4.6
434.26147	5.9
435.12909	10.7
450.25128	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	434.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.2
56.41660	0.7
67.05499	2.2
67.43296	0.6
68.04995	0.7
70.06581	1.8
71.00690	1.0
72.08127	0.7
84.08150	44.5
95.09892	0.6
98.09701	1.1
109.10144	1.3
126.12801	34.8
151.07573	5.0
177.73924	0.6
186.14903	100.0
379.54834	0.8
396.07870	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	435.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
55.05504	1.2
56.05022	1.7
56.70198	0.6
56.96544	0.5
57.03449	2.5
58.06599	1.1
60.04518	2.2
60.05634	0.8
64.54308	0.5
67.05508	3.4
68.05022	3.1
69.03421	2.1
69.07057	0.8
70.06598	6.4
70.17234	2.0
71.01362	0.7
72.08163	2.5
73.02912	2.0
74.06079	3.8
79.05510	0.6
81.07059	1.1
82.06591	0.5
84.04494	1.9
84.08139	8.8
85.02913	3.7
86.06075	5.8
86.09723	3.6
86.85526	0.5
88.03976	0.9
91.05462	1.5
96.04460	0.6
97.02889	1.4
98.09695	30.8
98.97560	0.5
104.02065	0.5
105.07060	0.9
108.32250	0.6
109.02841	0.6
109.10158	1.6
110.06075	0.6
110.07160	1.2
112.11347	0.6
115.03938	1.0
119.04932	1.4
120.08140	0.9
126.05519	0.8
127.03932	1.1
129.10242	1.8
132.10152	0.8
133.04936	1.0
133.52806	0.6
136.07588	2.4
140.14346	25.1
147.04391	5.3
151.07524	0.9
173.09219	1.8
173.12883	0.7
187.10594	0.6
200.16461	100.0
201.12247	0.8
201.16846	1.1
217.08257	0.8
219.13466	1.5
233.14911	1.1
286.10446	0.8
304.11725	0.6
304.97702	0.6
309.15796	0.5
372.10892	0.9
417.12827	1.7
435.13351	2.1
435.17798	2.3
436.12366	0.9
455.90701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
55.05514	2.7
56.05032	1.5
56.56990	0.6
57.03444	11.3
60.04528	2.7
61.02923	1.8
68.05039	0.9
69.03426	2.8
69.07060	1.4
70.06258	0.8
70.06603	9.2
70.76469	1.0
70.76788	1.2
71.05001	72.9
72.08165	3.9
73.02917	3.3
74.06083	0.7
75.04491	5.4
81.03446	0.8
83.04986	8.1
83.06126	0.8
84.04511	2.8
84.08156	10.8
84.30859	0.8
85.02914	100.0
86.03248	1.0
86.06081	2.1
86.09715	9.2
87.04478	2.0
87.10056	0.8
88.03975	0.9
91.05495	20.9
97.02895	6.2
98.06066	0.8
98.09724	2.1
99.04503	1.7
102.05569	1.7
103.03972	1.4
103.05559	0.9
105.07047	2.2
109.02905	1.4
110.06032	1.3
110.07189	2.3
110.48126	0.6
111.04425	4.5
112.08782	1.2
120.08106	5.6
121.02892	1.9
122.03224	0.9
127.03938	3.3
129.05495	45.0
129.10248	5.9
133.06490	1.9
136.07576	1.5
145.04987	3.1
145.06519	1.0
147.06544	25.4
147.07729	1.3
163.03893	0.9
163.06122	0.7
164.09201	7.3
173.09363	1.2
175.07631	1.9
186.82600	0.7
189.08784	1.5
217.08516	1.1
237.07715	0.8
253.10718	1.1
255.08763	2.4
273.09732	1.9
283.06039	1.7
284.06390	6.9
285.07263	2.6
309.11841	2.2
313.07086	1.6
314.07404	7.0
324.09567	1.3
338.07596	2.9
368.08646	1.6
380.08725	1.7
398.09729	2.5
416.10764	2.7
434.11548	5.3
434.21484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.0
55.01872	17.2
55.05505	24.4
56.05028	15.7
57.03422	19.2
57.07094	9.4
59.05012	21.2
59.60329	8.1
59.60633	7.6
60.04515	10.4
61.02917	13.4
65.03938	8.1
65.71172	6.7
67.05497	36.4
68.05018	22.0
69.03432	23.2
69.07063	29.8
69.31539	35.3
69.31963	30.0
70.06596	92.5
71.01311	8.9
71.04990	23.4
72.08144	16.1
73.02895	11.5
74.06067	7.8
78.15332	7.4
79.05477	28.2
81.03407	12.7
81.07060	100.0
82.28889	8.4
83.05000	12.5
83.08632	16.0
84.04501	14.3
84.08148	91.5
85.02916	52.4
85.06558	18.2
86.06064	36.4
86.09714	45.9
91.05502	36.7
93.07049	67.0
94.06579	9.5
95.04951	16.8
95.08595	51.2
96.04472	9.1
97.02884	25.0
97.06554	19.8
97.10176	19.2
98.09681	23.7
98.20796	15.3
99.04420	9.8
99.08094	15.7
103.05465	8.2
105.07038	60.2
107.04983	10.3
107.08599	84.2
109.06524	17.0
109.10151	42.3
110.07165	19.9
112.08710	13.1
115.03947	11.5
118.06611	8.3
119.08601	62.5
120.08085	28.7
121.06524	27.0
121.10132	34.2
123.08080	19.4
123.11715	20.0
125.09628	40.8
127.03907	12.4
127.11184	35.0
129.10249	24.7
131.08557	29.1
133.10085	48.4
135.08122	8.5
135.11710	73.6
136.07594	26.0
137.09555	9.2
141.09117	13.3
143.08530	12.3
143.10718	55.4
145.10139	68.1
147.04430	13.0
147.11697	31.0
149.13258	29.7
151.11234	12.2
159.11705	19.1
161.13272	58.2
173.13182	10.8
175.14790	10.3
179.14307	19.8
191.17865	14.1
201.16389	44.8
206.15451	9.1
219.17473	69.0
237.18565	40.7
287.05560	12.6
288.05972	37.3
416.16833	13.7
434.17081	14.3
434.26224	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	433.244
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
53.03931	3.0
55.05509	12.0
57.07049	4.0
59.04991	6.0
65.03947	5.4
67.05518	28.8
69.03439	6.1
69.07076	23.3
70.06585	15.6
70.66135	4.8
70.66455	5.9
71.05001	37.1
73.06564	4.4
78.08247	2.9
79.05496	12.2
81.07063	40.3
83.08636	4.8
84.08134	15.8
85.02901	8.4
89.06023	7.2
91.05481	16.4
93.07051	41.3
95.04979	37.1
95.08640	23.3
96.10889	3.3
97.02887	3.9
97.06558	7.2
99.68901	3.4
105.07036	39.2
107.08604	98.3
109.06522	6.2
109.10167	60.3
111.08102	49.4
117.91177	3.3
119.08585	33.2
121.06547	3.4
121.10164	27.0
123.11683	7.8
125.09628	55.4
127.11174	4.1
129.10316	3.2
131.08559	13.8
133.10153	17.1
135.11699	47.0
136.07544	4.4
137.09517	3.7
143.08557	4.4
145.10146	30.3
147.08034	7.0
147.11708	100.0
148.12164	4.3
153.12770	46.4
157.10168	5.9
159.11711	11.2
161.09682	4.2
163.11308	3.8
165.12814	6.7
173.13358	3.9
175.11218	9.5
175.14835	6.7
189.16447	37.0
191.17950	4.9
193.15916	7.8
199.14812	7.2
201.71803	3.3
207.17468	7.3
217.15919	59.7
235.16936	93.6
253.18016	74.6
271.06088	3.4
315.42395	3.3
354.18210	4.3
433.23822	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	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.5
55.01883	7.2
55.05513	18.5
56.05030	4.8
59.05000	9.3
60.04510	5.3
60.05619	5.4
61.02925	6.3
67.05511	36.3
68.46105	4.3
69.03439	18.0
69.07095	22.8
70.06599	44.5
71.05000	31.6
72.08147	9.8
79.05505	20.8
81.03444	5.6
81.07062	59.6
83.04971	9.9
83.08611	10.2
84.04519	6.0
84.08157	43.7
85.02906	30.8
85.06587	6.3
86.06092	6.0
86.09703	9.5
89.06020	10.0
91.05492	34.4
93.07057	47.1
95.04964	30.4
95.08625	34.2
97.02916	13.3
97.06541	16.8
97.10185	7.8
98.09677	5.5
99.08097	6.1
105.07052	52.8
107.04961	9.1
107.08612	100.0
109.02880	6.6
109.06530	14.3
109.10173	55.0
111.04472	6.7
111.08086	37.4
117.41711	4.3
119.04981	9.1
119.08594	45.9
120.08118	9.3
121.06535	18.0
121.10162	27.4
123.05538	12.7
123.08132	5.9
125.06013	5.5
125.09646	48.0
127.03948	9.8
127.11259	6.4
129.10297	8.1
131.08611	12.8
133.10133	27.8
135.08023	6.1
135.11693	44.5
136.07602	12.9
137.05978	6.2
139.07558	7.2
143.08682	6.8
143.10632	5.4
145.06505	5.6
145.10118	37.3
147.08090	8.1
147.11711	88.6
149.09686	7.6
149.13280	16.5
151.11148	7.3
153.12770	40.9
157.10092	10.8
159.09248	5.9
159.11711	14.7
161.09653	5.2
161.13370	8.0
163.11182	8.6
165.12779	9.6
166.50462	5.1
173.13171	6.2
175.11214	14.8
175.14850	6.3
189.16397	29.6
191.17998	6.7
193.12300	7.0
199.14874	6.5
201.16318	5.8
207.17513	7.3
211.13333	5.6
217.12344	14.8
217.15881	48.8
228.99751	5.5
235.13434	9.5
235.16989	64.5
237.18582	11.7
253.05112	5.8
253.14343	8.9
253.15253	7.9
253.17993	71.7
283.06137	7.9
285.07626	19.5
287.05548	8.8
324.92941	6.3
352.39478	4.9
420.55167	5.3
427.22635	13.7
432.90433	7.5
433.24176	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	433.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01877	4.3
55.05511	9.7
56.05041	8.3
57.03437	5.3
59.05025	1.7
60.04525	3.6
60.05645	5.5
61.02921	4.1
67.05511	15.6
68.05029	3.3
69.03437	7.1
69.07074	21.0
69.47073	11.1
69.47396	2.8
70.02956	2.7
70.06599	100.0
71.05009	19.5
71.06927	4.2
72.08161	38.7
73.02917	3.6
73.06544	2.5
74.06081	5.4
79.05505	14.6
81.03427	5.1
81.07066	26.6
82.06577	2.7
83.04988	5.8
83.06084	2.3
83.08625	2.1
84.04505	12.7
84.08150	59.7
85.02908	31.7
85.06551	23.2
85.07653	1.7
86.06087	2.7
86.09716	52.0
86.10248	2.6
87.05589	2.3
87.10027	4.6
88.04008	3.2
91.05486	15.8
93.07050	13.8
95.04974	4.5
95.08626	11.5
96.04512	2.4
97.02905	6.5
97.06535	10.3
98.06047	3.3
98.09716	10.4
98.21534	1.5
99.04436	5.0
99.08103	4.8
100.07671	1.9
101.06059	1.8
102.05546	3.3
103.05475	2.0
105.07041	21.2
107.04977	4.8
107.08600	6.5
109.02911	4.6
109.06531	3.6
109.10171	5.8
110.06078	1.7
110.07170	19.4
111.08106	1.7
112.08766	10.6
113.06022	4.2
113.07140	4.2
114.05534	2.5
115.03934	2.9
115.05440	2.4
115.07573	5.5
115.08696	4.7
116.01685	1.9
116.07111	5.7
117.07050	5.2
119.04939	5.3
119.08598	9.6
120.08118	32.7
120.08955	2.6
121.02876	4.1
121.06535	5.5
121.10164	6.0
123.08098	2.5
127.03934	5.0
127.08718	1.9
129.09358	2.9
129.10252	24.3
130.05022	3.0
130.06541	6.0
130.10608	1.9
131.08580	8.6
132.08131	9.4
132.10262	3.5
133.05002	2.9
133.10162	6.9
135.08093	2.6
136.06242	2.1
136.07582	11.6
137.07954	2.1
137.09648	4.6
140.08249	1.6
141.10229	5.4
142.06526	2.1
143.08562	5.0
143.11830	3.7
144.08070	2.6
145.04958	4.1
145.10136	2.0
146.06030	2.5
147.04439	3.1
147.08043	1.4
147.11768	1.8
148.07568	1.6
149.09540	2.2
149.13345	1.8
153.09111	1.7
155.08154	2.4
156.07744	2.8
157.10075	2.0
158.15334	1.6
159.08063	2.0
159.09203	9.9
159.11671	23.8
160.09589	2.1
161.09663	2.4
162.02228	3.5
162.05522	1.5
162.09042	1.8
169.09723	1.8
170.06029	10.7
172.11275	2.9
173.13002	2.6
174.09160	1.7
175.08893	1.5
177.12758	8.4
187.10788	2.2
187.14558	3.2
188.07053	2.4
191.11812	3.8
195.13823	2.6
199.14836	6.5
201.12408	4.0
203.03473	2.1
205.09686	3.2
215.13817	2.0
217.13419	3.0
217.15886	10.8
219.11290	3.4
225.09966	1.6
228.11163	1.7
229.11757	2.4
235.16968	13.4
245.12878	1.9
253.17981	8.3
258.16116	1.7
259.15601	2.7
263.14163	1.8
271.05981	4.5
271.19104	4.2
283.06079	7.3
287.10699	3.5
295.06256	1.8
304.13544	1.7
313.07104	7.9
318.12024	2.8
321.07864	2.5
323.09283	2.9
337.07092	2.8
349.06927	2.5
367.07965	2.4
397.09134	4.0
405.22418	4.7
415.10068	5.9
432.90308	7.9
433.10031	15.8
433.16284	2.7
433.21573	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	9.8
55.05509	17.5
57.03435	14.1
59.05001	8.8
65.03938	4.9
67.05504	29.6
69.03426	19.8
69.07066	53.3
69.31813	30.7
69.32246	13.1
70.06594	100.0
71.04996	75.5
79.05489	48.3
79.78815	4.5
81.03388	7.3
81.07055	71.1
82.07317	5.7
83.04996	11.5
83.08620	7.9
84.08144	36.0
85.02911	88.6
85.06550	75.9
85.18082	4.9
86.09713	12.6
91.05482	44.7
93.07050	52.7
95.04964	13.8
95.08609	30.7
97.02905	20.8
97.05968	8.0
97.06501	30.2
99.04477	17.7
99.08099	9.9
105.07041	30.4
107.08595	17.4
109.02893	8.5
109.06512	8.0
109.10136	19.2
113.06009	21.9
115.05435	6.5
115.07594	26.8
117.07027	25.3
119.08595	25.5
120.08102	20.4
121.06482	8.3
121.10148	28.5
122.18002	5.4
127.03935	13.5
131.08585	31.7
133.10124	25.4
135.08052	7.9
137.09647	10.6
139.11163	13.9
143.08559	10.9
145.04956	11.2
147.04372	6.9
147.11685	11.9
149.09552	6.8
157.10143	17.7
159.11711	82.8
161.09697	7.5
173.13271	7.9
177.12717	28.5
189.16382	14.7
195.13850	11.7
199.14822	21.9
217.15866	32.5
229.15462	29.7
235.16953	43.6
253.17957	27.9
255.12813	7.2
263.13940	14.7
271.06116	20.6
271.19052	16.2
287.05508	37.1
427.23138	12.3
432.90585	11.1
433.22922	17.9
434.21796	6.3
448.24179	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	433.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84413	1.1
53.03938	2.7
55.01878	7.2
55.05515	10.9
56.04840	1.1
56.05042	13.3
57.03441	6.7
57.07066	2.9
58.06606	1.5
58.99593	1.9
60.04531	9.5
60.05632	4.1
61.01161	1.8
61.02916	4.4
66.06371	1.1
67.05505	15.9
68.05031	4.7
69.03431	9.6
69.07072	24.4
70.02940	2.7
70.06595	100.0
71.04994	19.0
71.06927	3.9
72.04507	1.2
72.07758	2.5
72.08157	44.3
73.02927	2.6
73.06544	1.5
74.06088	8.2
76.02213	1.7
79.05491	19.2
81.03417	5.3
81.07059	27.8
82.06613	1.7
83.04984	6.5
83.06102	2.6
83.08614	1.8
84.04507	22.1
84.08148	64.9
85.02911	25.5
85.06550	24.1
85.08485	2.5
86.06068	5.3
86.09710	67.5
87.04443	1.5
87.05598	2.6
87.10033	4.8
88.03973	1.8
91.03951	1.5
91.05492	18.4
91.82733	1.2
93.04546	1.4
93.07044	21.0
95.04977	5.8
95.06062	1.3
95.08617	13.8
96.04497	2.2
96.08144	2.0
97.02882	8.5
97.06527	13.0
97.07654	3.1
97.33975	1.2
98.06045	3.0
98.09691	13.8
99.04458	6.2
99.08089	5.4
101.06010	2.8
101.07157	2.3
102.05544	9.0
103.05488	1.5
105.03391	1.4
105.07041	12.6
107.04945	5.0
107.08600	7.4
109.02892	3.2
109.06519	5.1
109.10155	4.7
110.06089	1.7
110.07166	14.1
110.09680	1.5
111.04405	1.5
111.08087	3.3
112.08759	7.3
113.06026	5.2
113.07140	3.4
114.10287	1.6
115.03931	1.2
115.05431	1.6
115.07558	7.8
115.08705	4.4
116.01689	6.0
116.07088	4.8
117.07041	8.6
118.06534	3.0
119.04980	5.1
119.08585	10.8
120.08121	24.2
120.62128	1.3
121.02879	9.4
121.06512	6.2
121.08447	2.1
121.10156	6.9
122.06045	1.5
122.09633	1.8
123.04420	1.7
123.08114	1.5
124.07596	1.2
125.06023	2.7
125.07026	1.3
125.09653	1.3
126.05505	1.3
126.12799	1.4
127.03921	7.1
127.08662	2.1
129.06937	2.6
129.10242	26.5
130.05013	4.4
130.06508	6.3
130.08672	1.3
131.04907	1.4
131.08585	11.0
132.08043	3.3
132.10208	1.7
133.10138	9.3
134.06100	2.0
135.06848	2.3
135.08066	4.1
135.11737	3.4
136.06487	1.6
136.07585	17.9
137.05974	1.4
137.09653	7.5
138.05511	1.7
138.06584	2.3
138.09151	1.8
139.11220	2.3
140.14377	5.2
141.06581	1.6
141.10196	1.4
143.08588	6.1
143.11839	7.2
144.01158	2.7
144.08141	2.4
145.02930	2.4
145.04965	2.7
145.10167	1.9
146.06044	6.2
147.04428	3.3
147.07820	1.5
147.11623	2.5
148.07561	1.5
149.06099	1.5
149.09630	1.5
149.13274	2.1
151.11157	1.8
153.09105	2.2
155.10672	2.0
157.06601	1.8
157.10100	4.9
157.12238	2.8
157.13406	1.4
159.08038	1.5
159.09151	8.0
159.11705	25.0
161.09576	4.6
162.02219	10.7
165.12820	1.4
166.08640	3.0
169.07715	1.7
170.06041	2.8
171.11453	4.3
173.09280	1.9
173.13065	3.4
174.05591	1.4
174.09148	2.1
174.13535	1.6
175.08812	1.9
175.14845	2.6
177.12764	9.3
183.11298	3.9
184.07724	2.0
185.12785	1.2
186.09157	1.8
187.14381	1.9
188.07079	11.5
189.16338	1.6
198.09090	1.5
199.14830	9.7
199.18007	2.0
201.10522	4.1
201.12358	8.8
203.03438	2.5
205.09726	9.8
213.05592	1.9
217.05060	2.2
217.15875	12.4
221.09143	3.1
229.09834	2.0
229.11873	4.3
229.15460	3.2
230.10539	1.4
233.16620	1.4
235.16930	16.7
245.09108	2.1
245.18568	2.1
253.18088	8.4
256.07306	2.0
263.14044	11.0
271.06030	6.4
271.10809	1.5
271.19080	4.4
283.06009	23.2
284.06799	9.9
287.05655	1.5
287.10574	4.1
293.08353	1.6
295.05972	3.3
297.07626	5.6
304.13135	3.8
307.06223	2.1
308.06781	2.9
313.07098	19.5
318.11792	5.7
321.07571	6.1
323.09177	5.6
334.17688	2.4
336.13269	2.6
337.07065	6.4
349.06989	8.0
351.08685	2.5
358.14346	1.9
359.09070	3.4
362.17038	1.4
363.08618	1.6
367.08157	3.9
372.54370	1.7
372.88351	1.7
377.10205	2.8
379.08267	2.3
387.08704	3.6
397.09213	8.5
405.09802	6.1
413.21936	1.3
415.10406	15.3
427.22708	5.1
432.90054	9.0
433.09369	34.1
433.24200	13.3
433.56885	3.0
434.21774	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17863	3.5
53.03946	7.7
55.01865	11.4
55.05512	22.9
56.05038	5.2
57.03436	17.6
57.07067	3.9
59.04982	4.3
60.04499	4.7
60.05643	9.3
61.02934	6.5
62.90118	3.5
66.93252	3.2
67.05508	61.1
69.03435	36.9
69.07072	76.1
70.06595	91.0
71.04997	77.8
72.08131	4.3
73.02919	3.8
73.06542	9.2
79.05492	62.1
81.03413	14.6
81.07063	89.1
83.05003	21.5
83.08617	5.2
84.08149	43.7
85.02911	91.2
85.06552	100.0
86.09704	18.3
91.05489	50.9
93.07056	78.9
95.04969	14.7
95.08612	50.3
97.02901	25.6
97.06540	44.4
98.09705	8.3
98.21548	5.7
99.04456	22.6
99.08118	20.4
101.06012	13.5
105.07040	46.3
107.04969	9.5
107.08602	32.2
109.02889	12.3
109.06524	10.5
109.10154	18.0
110.07172	3.8
111.08089	7.7
112.08764	4.8
113.06016	20.9
113.07115	4.5
115.05441	5.8
115.07577	40.2
117.07021	31.3
119.04950	4.0
119.08597	37.7
120.08112	18.2
121.06506	13.1
121.10151	30.7
125.09535	4.8
127.03917	12.9
127.07557	3.8
129.07018	8.7
129.10233	6.7
131.08566	40.8
133.10133	34.1
135.08032	9.3
135.11681	8.5
136.06110	4.4
136.07608	9.5
137.09641	24.9
138.06638	4.3
139.11169	14.1
143.08559	16.2
145.04953	11.5
145.10138	15.4
147.04393	17.0
147.11707	11.2
149.09592	7.2
149.13254	13.2
151.11212	6.2
155.09268	3.9
155.10611	4.3
157.10094	14.5
157.12244	4.7
159.09210	5.1
159.11702	99.2
161.09653	15.2
171.11627	7.0
173.13280	10.5
175.11212	4.0
175.14806	14.2
177.10255	8.3
177.12743	34.4
179.10696	3.8
188.07045	7.3
189.12675	5.7
189.16386	11.3
191.14337	4.2
193.15950	4.8
195.13802	9.4
198.57649	3.4
199.14809	42.7
201.12318	5.1
205.09732	6.6
207.17459	6.0
217.15903	42.9
229.15491	37.5
235.16949	60.1
253.17981	43.2
263.13879	13.1
271.06003	27.7
271.19016	19.7
283.06079	6.6
313.07043	7.8
397.17758	4.5
415.10199	6.5
427.22849	10.3
427.56454	4.5
432.90359	24.0
433.24161	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2297
Annotation	Asp-Leu-Val-Ser
Peak:m/z	Relative Intensity
50.42171	0.5
54.12977	0.5
55.01874	0.8
55.05269	0.8
55.05515	10.4
56.05032	3.4
56.31575	0.6
57.03441	0.7
57.05812	2.2
60.04221	1.1
60.04526	21.7
60.05638	1.7
66.31586	0.5
67.05504	0.9
68.05029	1.6
69.03424	1.7
69.07074	2.4
70.02954	2.6
70.06595	18.3
71.06931	1.3
71.37121	1.0
72.08157	100.0
73.02937	0.7
73.08492	1.3
74.06072	3.6
82.06584	0.6
83.06105	0.8
84.04496	3.9
84.08147	15.4
84.08632	1.1
85.02894	1.2
85.04039	0.7
85.08459	1.3
86.06075	1.7
86.09708	53.6
87.05602	2.5
87.10049	1.7
88.03995	4.1
91.05495	1.3
92.42020	0.5
97.02881	1.0
98.02431	0.8
98.09709	2.3
101.07152	1.4
102.05556	1.3
110.07184	2.8
110.09684	1.3
111.05521	0.8
112.08727	1.3
113.07184	0.6
114.05550	0.8
115.05080	2.3
115.08687	1.1
116.03464	1.0
119.04954	1.4
120.06573	0.6
120.08131	2.4
121.02901	1.0
124.07620	1.7
127.03941	2.3
127.08697	1.2
127.12325	1.2
128.10768	1.9
129.10216	6.0
129.10973	0.6
130.04994	4.7
132.10205	16.6
136.07607	3.0
138.09103	0.6
139.05046	1.2
140.03435	1.2
141.10240	1.3
142.08627	1.5
143.11833	2.8
143.12842	0.5
146.09122	0.5
147.04485	2.0
155.08263	1.0
155.11813	2.6
156.07718	0.9
157.06133	2.1
157.13437	0.6
159.11327	3.0
169.09727	7.1
171.11295	0.9
173.12866	18.9
173.14249	1.2
175.07158	5.7
183.11270	3.4
185.16498	0.9
187.10791	13.6
187.14424	1.0
199.18082	1.4
201.12343	20.2
203.06602	4.6
203.10364	1.3
207.09790	0.9
211.10789	0.8
215.10287	18.8
215.13921	1.6
219.13405	39.6
220.13872	0.7
224.05566	0.8
227.17657	1.4
229.11826	2.7
233.11293	6.2
233.15007	1.2
235.08128	0.8
247.13043	1.5
253.09106	0.9
270.14700	1.8
271.06009	5.9
278.33722	0.6
282.18307	0.9
284.12601	2.1
296.19763	1.3
300.19308	0.7
302.13470	7.7
316.15067	5.7
334.16019	3.4
369.21417	4.8
397.21051	2.9
415.16483	0.9
415.21719	5.8
417.89862	0.8
427.23019	0.8
432.90460	2.4
433.16830	1.3
433.23697	4.0
446.18829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78474	0.4
55.01855	0.8
55.05516	4.0
56.05033	3.3
56.67688	0.5
57.05808	0.7
58.06585	1.0
60.04528	3.3
60.05648	2.6
67.05480	0.6
68.05019	2.4
69.03419	1.6
69.07057	1.5
69.78490	2.9
70.02911	0.4
70.06593	63.0
71.04973	2.4
71.06916	1.2
72.08155	33.3
73.08486	1.0
74.06073	3.2
80.05019	0.5
81.03419	0.7
82.06567	1.0
83.04952	0.6
83.06107	0.9
84.04508	28.6
84.08144	20.3
85.02892	2.1
85.07648	1.5
86.06052	1.3
86.09709	21.7
87.05596	1.8
87.10039	0.8
88.03987	1.6
91.05473	1.8
93.07024	0.8
95.06084	7.9
96.04478	1.1
96.08142	0.7
97.02877	1.0
97.07653	1.3
98.06039	2.0
98.09694	1.4
99.09217	0.7
100.07655	0.7
102.05555	2.5
103.05470	1.5
105.07024	0.6
107.04932	0.9
109.04095	0.5
110.07168	4.0
112.07564	0.9
112.08727	15.4
112.93357	0.5
113.07137	4.4
114.05534	0.6
114.09129	0.6
115.03933	0.6
115.08694	13.5
116.07094	9.2
117.30163	0.5
119.04957	0.9
120.08105	32.5
121.02877	1.7
121.08422	0.7
124.07603	0.7
125.07111	0.6
127.03931	2.8
127.08675	2.0
127.09631	0.5
129.06599	3.9
129.10234	6.1
130.04932	0.7
130.06490	0.7
131.04948	0.8
132.04471	0.5
132.08069	0.8
136.06592	0.8
136.07564	4.8
138.05508	0.5
138.06573	0.9
138.09161	1.4
139.05028	1.9
140.08206	3.0
141.06577	1.0
141.10233	0.6
143.11810	0.6
146.05995	0.7
147.04420	1.7
148.06088	2.5
154.06129	3.4
155.08211	0.7
156.07765	0.7
157.10974	0.5
158.09238	1.6
159.09167	1.5
159.11284	4.7
166.08644	6.2
167.04625	0.5
169.09688	1.1
170.06013	0.7
173.12895	2.6
175.11929	1.3
178.09796	0.6
181.09717	9.2
183.11313	0.7
187.10768	7.4
189.08763	0.7
193.09875	0.6
198.05519	0.6
199.18042	1.6
201.12332	1.6
206.09300	2.7
207.09790	1.5
208.10794	1.4
209.09198	8.6
223.11906	1.2
226.11858	2.0
227.10266	3.2
227.17583	0.7
233.11365	1.5
235.08015	0.7
240.14665	2.7
240.16588	0.5
244.13031	0.6
247.12971	3.6
251.11421	4.5
252.09886	2.4
261.14548	0.9
263.14032	0.7
268.14008	6.3
268.16602	2.4
269.12372	2.9
271.06024	17.1
283.05963	0.9
286.15094	37.6
295.05701	0.6
302.10168	0.5
305.16022	1.6
313.07013	1.1
317.11679	0.6
334.15891	0.6
413.55328	0.8
415.15085	1.1
418.89777	0.7
422.22720	0.7
426.89023	0.6
427.22501	2.0
427.56186	1.3
432.90222	3.7
433.16281	8.0
433.21915	100.0
434.22229	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2013
Annotation	Galanganol C
Peak:m/z	Relative Intensity
53.03951	3.8
55.05509	3.2
63.12328	2.1
65.03951	2.2
67.05499	5.5
69.07048	7.6
69.82074	2.0
70.06593	5.5
71.04988	3.6
71.52311	2.4
72.08171	2.1
79.05487	5.9
81.07056	6.6
84.08139	4.6
85.02895	2.3
86.09727	4.4
90.16148	1.8
91.05495	11.0
93.07044	8.7
95.04948	10.0
95.08584	3.5
103.05444	4.9
105.07032	21.1
105.28220	2.4
107.04967	96.2
107.08602	3.9
109.10113	2.2
110.07121	1.9
115.05434	2.4
117.07022	4.7
119.04939	3.0
119.08552	4.4
121.02011	4.3
121.02878	81.3
121.06522	36.1
121.10122	4.1
123.04445	22.6
125.09580	2.4
127.03877	3.7
131.04971	2.3
131.08589	4.4
133.06509	19.7
133.10104	3.2
134.07246	2.6
135.04446	2.8
135.08040	9.1
137.05991	8.8
141.76665	1.9
143.08617	3.7
145.06476	4.3
145.10153	8.7
147.04456	7.6
147.08047	14.7
148.05173	3.7
149.06004	13.6
154.14934	2.2
155.08549	3.6
158.07307	9.7
159.08104	8.4
159.11713	2.3
161.06015	29.5
161.09621	8.1
163.11205	5.0
171.11714	2.1
173.09625	40.2
175.07532	8.1
177.05481	6.1
187.07549	5.5
189.09128	18.5
191.10687	100.0
199.11156	3.6
205.08736	4.3
221.11555	2.1
227.10579	5.0
243.10201	5.4
245.11700	3.3
252.59258	2.2
253.12279	2.3
255.10182	23.0
269.11725	7.0
271.09662	5.5
281.11737	6.2
283.13306	19.1
299.12573	2.4
309.14786	4.7
311.16437	7.0
321.14810	12.7
339.15753	9.4
415.18958	18.1
433.19720	5.5
433.25217	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	432.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93771	28.3
55.05506	43.5
67.05509	69.9
69.07079	40.0
70.06604	62.6
70.23287	91.8
70.23665	33.8
79.05489	49.0
81.03475	32.3
81.07071	83.0
84.08123	41.9
85.02924	54.9
91.05499	77.0
93.07051	74.0
95.08601	55.5
101.53774	37.4
105.07024	100.0
107.08617	37.6
117.07063	29.9
119.08588	72.7
120.08137	41.0
120.67122	32.4
121.10117	36.9
133.10182	43.1
143.08492	29.9
149.09579	29.4
205.79350	34.2
269.17575	96.7
373.66248	35.7
401.85266	30.9
432.28610	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	LMPK12110338
Peak:m/z	Relative Intensity
53.03932	1.4
70.06597	2.2
70.70319	1.0
79.01873	2.4
81.03424	1.9
81.07006	1.1
84.08147	2.0
85.02908	2.1
86.09714	1.4
88.45924	0.8
91.05487	1.2
97.02885	1.0
98.21539	2.3
98.42904	1.1
109.02915	1.2
119.04938	4.1
119.52754	1.0
120.08218	0.9
121.02870	15.8
136.07539	1.0
137.59279	1.0
145.02834	3.1
149.02357	1.1
151.55524	1.0
157.45210	0.8
163.03906	2.7
165.01848	9.9
167.03444	1.7
177.01845	1.7
183.02896	2.2
187.03935	2.2
191.03442	1.5
195.02855	1.5
213.05457	4.4
217.05077	2.5
227.07057	1.4
229.09453	1.2
233.04683	1.0
239.07043	1.2
243.02919	1.8
255.06592	4.0
256.07266	7.5
259.06036	1.4
261.04007	1.7
267.06552	5.2
268.07169	1.1
270.05127	2.3
271.06076	5.7
281.08157	4.4
283.06018	100.0
284.06787	31.2
285.07489	3.5
295.06030	16.5
295.09195	1.7
297.07544	14.5
305.08011	2.1
307.05917	1.6
308.06973	2.5
309.04132	2.2
309.07556	15.4
311.05389	1.7
313.07077	90.8
314.07458	3.1
321.07654	2.1
323.05710	1.6
323.09122	20.9
325.07071	3.6
333.07803	2.2
337.07089	30.3
337.11182	1.5
338.07437	1.4
343.08109	4.6
349.07132	7.4
351.08823	5.5
355.08298	1.8
361.07196	4.5
367.08084	21.9
368.08673	1.5
379.08145	17.2
380.08453	1.1
397.09213	29.4
415.10263	35.7
416.10703	1.3
433.11316	61.6
434.11841	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	432.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
59.04714	1.8
59.05003	31.8
67.05502	2.2
69.07066	2.9
70.81330	1.3
70.81664	1.8
79.05492	2.7
81.07053	3.4
83.04967	1.8
83.08592	1.3
91.05479	6.3
93.07046	2.5
95.08601	2.0
105.07037	21.3
107.08590	2.3
109.06515	1.4
111.04424	4.6
117.07037	2.4
119.08578	7.4
121.10148	1.9
128.06323	0.9
129.07011	1.7
131.08553	12.0
133.10146	2.3
135.07138	1.0
135.08020	4.6
137.64813	0.9
141.07022	2.6
142.07806	1.7
143.08559	6.3
145.10130	7.0
155.08554	16.7
155.09731	1.7
156.09363	1.4
157.10121	19.1
159.11694	22.1
161.13287	1.5
165.06989	0.8
167.08565	1.8
169.10112	5.5
171.08066	1.0
171.11694	14.5
173.13260	3.3
175.14835	1.8
179.08562	2.3
181.10118	7.5
183.08008	1.3
183.11671	5.5
184.30666	0.8
185.09592	1.7
185.13284	5.7
187.14780	1.2
193.10144	3.2
195.11749	7.9
196.12506	1.6
197.09622	2.7
197.13303	2.9
199.14760	1.1
205.10040	1.6
205.15932	1.7
207.11729	1.2
209.09799	1.1
209.13310	7.3
211.11382	1.1
211.14839	20.1
213.16377	21.0
217.12204	1.2
219.11765	1.2
221.13252	3.0
222.13956	1.3
223.11154	1.9
223.14838	1.2
225.16357	1.3
227.17914	7.7
231.11807	1.1
235.14787	4.5
237.16364	17.4
239.14333	2.8
246.13966	1.2
251.17905	4.0
253.15874	2.6
255.17430	36.5
257.15323	7.7
261.16440	3.5
273.18484	5.4
279.17471	9.3
297.18518	15.6
315.19559	100.0
316.19806	1.8
418.06848	1.0
432.20154	3.9
432.27795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.3
55.83015	1.1
57.07099	1.4
59.04716	1.9
59.05006	35.9
61.71923	1.4
67.05504	3.0
69.07063	3.4
69.83487	4.7
81.07056	3.9
83.05003	1.7
91.05497	8.4
93.07064	3.3
95.08619	2.3
98.21561	1.0
105.06396	1.8
105.07043	19.4
107.08604	3.1
109.10183	2.1
111.04443	6.2
117.07050	3.3
119.08559	5.8
121.06498	1.3
121.10159	2.3
128.06224	1.1
129.07043	3.3
131.08572	12.9
133.10147	3.0
134.09698	1.1
135.08105	5.2
135.11713	1.1
141.06973	2.0
142.07826	2.2
143.08580	7.6
145.10130	9.6
147.11705	1.3
149.09602	2.2
153.07076	1.4
155.08563	19.0
155.09717	1.6
156.09361	2.4
157.10129	19.7
159.11714	24.5
161.13306	1.7
167.08574	2.6
169.10147	5.8
171.11697	13.9
173.13219	3.0
175.14847	2.1
179.08568	2.0
181.10143	7.6
181.88907	1.1
183.08131	1.5
183.11726	4.8
185.09608	1.8
185.13303	5.1
193.10153	2.7
194.10974	1.9
195.11690	8.3
196.12404	2.5
197.09602	1.6
197.13287	3.5
199.14857	1.2
205.10167	1.4
205.15891	1.4
207.11690	2.2
209.13199	6.7
211.11530	1.9
211.14827	18.1
213.16377	21.8
220.12444	1.2
221.13261	4.2
225.12672	1.4
227.17932	8.2
235.14859	4.4
237.16408	19.8
239.14355	3.7
251.14241	1.5
251.17955	3.1
253.15985	3.3
255.17448	31.7
257.15430	6.4
261.16446	3.7
273.18576	6.0
279.17438	10.0
289.26605	1.3
297.18549	16.2
315.19577	100.0
355.15573	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.05503	1.0
57.03430	1.2
61.02928	1.2
65.03942	0.5
67.05471	0.5
69.03431	7.4
70.06602	0.8
70.63747	1.2
71.04987	0.8
72.08129	0.5
73.02907	0.6
79.05492	3.0
81.03407	1.4
81.07052	1.0
83.04988	2.0
85.02894	2.7
87.04444	0.7
91.03958	0.8
91.05490	1.7
93.07048	8.6
95.04949	0.8
97.02921	0.6
99.04457	1.1
103.05469	1.2
105.07037	100.0
106.07362	1.1
110.07137	0.5
111.04462	2.8
117.11522	0.4
119.04964	2.7
119.08602	0.5
121.06514	24.7
127.03953	0.7
129.05493	3.0
147.06523	4.2
159.07991	0.4
164.69389	0.4
179.76758	0.4
200.28275	0.4
236.66920	0.4
254.16948	0.5
267.12253	5.3
281.10236	0.9
332.88748	0.4
387.18048	7.3
405.95074	0.5
432.24445	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01863	1.5
55.05508	9.2
57.03445	2.8
57.07036	1.4
59.04995	3.2
65.03934	3.1
65.57943	1.3
67.05505	37.4
69.03423	5.4
69.07073	10.3
69.54382	9.0
70.06588	6.9
71.04998	32.0
72.08148	1.4
73.06565	3.0
79.05489	13.7
81.07056	33.6
82.07422	1.9
83.04968	5.5
83.08617	7.9
83.63934	1.5
84.08151	7.7
85.02898	5.3
85.06544	1.7
86.09703	6.1
87.08111	2.0
89.06017	3.0
91.05484	13.6
93.07046	34.4
95.04979	25.5
95.08613	18.0
96.08936	2.1
97.02879	1.8
97.06524	3.7
98.09705	10.6
98.20823	2.9
99.08073	2.3
105.07033	35.5
107.04902	1.5
107.08598	58.3
109.06516	3.9
109.10157	100.0
111.08082	10.8
117.07018	2.5
119.04951	1.7
119.08585	48.9
120.08141	2.4
121.06505	6.7
121.09339	2.1
121.10148	28.6
122.02758	1.8
122.59668	1.3
123.08057	8.8
123.11703	4.8
125.09637	38.4
127.03901	2.2
127.07542	1.4
127.11217	5.4
129.07027	1.8
129.10239	2.8
131.08578	13.3
133.10138	20.4
135.11696	24.1
136.07620	1.8
137.09593	3.0
139.07579	1.7
140.14360	2.2
141.09105	1.5
142.07840	2.8
143.08551	4.0
145.10130	26.6
147.04436	3.9
147.08102	8.9
147.11685	78.5
149.09607	4.4
149.13243	6.4
151.07539	2.2
151.11183	1.9
153.12758	24.1
157.10109	6.7
159.09152	2.6
159.11688	10.7
161.09631	5.0
163.11234	2.9
165.09091	3.7
165.12744	10.3
171.11745	2.1
173.13281	3.1
175.11221	9.3
175.14810	8.6
179.10692	2.4
187.09705	2.3
189.16365	37.3
191.17970	8.6
193.12282	2.0
193.15862	14.7
195.13802	2.2
199.14821	5.4
207.17444	8.3
217.15897	44.0
235.16931	56.8
253.17993	15.8
269.17532	3.6
272.17395	3.3
287.05481	5.1
288.76373	1.8
300.17062	2.2
345.17282	1.8
413.21640	1.9
430.70547	7.8
431.21252	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	432.127
Annotation	Unknow
Peak:m/z	Relative Intensity
98.97596	1.9
112.89615	7.1
114.89348	2.5
139.91461	1.6
141.91289	1.2
178.81854	1.0
186.36194	1.0
219.01808	2.0
432.12698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
53.37247	1.1
55.01873	1.9
57.03426	1.2
61.02920	1.5
61.41612	1.1
65.03938	1.3
68.05043	1.1
69.03426	11.2
69.07028	1.4
70.02917	1.0
70.06593	5.5
71.01349	1.0
71.04987	4.6
72.08147	2.5
73.02906	3.0
81.03421	11.2
83.04972	1.5
83.69140	0.9
84.04494	1.7
84.08135	4.5
85.02906	76.1
86.09690	3.4
91.05479	61.0
93.07038	1.1
95.08575	1.4
97.02888	23.6
99.04457	38.5
103.03942	93.0
106.20155	1.0
107.08534	1.6
109.02879	16.4
110.07261	1.2
114.05542	7.7
117.07076	1.0
127.03916	100.0
129.07004	2.0
129.10213	2.9
143.08562	1.5
145.04964	71.6
163.06017	53.3
169.04991	1.6
171.08051	1.4
187.05994	6.5
199.07556	2.0
205.07060	4.8
217.08546	5.5
235.09676	1.8
247.07735	1.0
253.07109	1.4
253.10606	2.4
271.08041	6.1
285.12668	3.1
289.09155	7.1
307.10223	10.8
397.14838	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
56.05039	4.5
57.05795	0.4
60.04529	0.8
67.05502	0.8
68.05045	0.4
69.07072	4.3
69.41019	2.6
70.06596	9.2
71.04965	0.4
71.06916	0.5
72.08157	8.9
74.06087	0.7
75.05597	1.4
76.16993	0.3
81.07085	0.4
82.06577	0.9
83.04980	0.4
83.06109	0.7
83.08629	0.3
84.04510	9.4
84.08145	100.0
85.02901	0.9
85.04063	0.3
85.06538	1.2
85.08479	0.6
86.06076	1.1
86.09708	81.2
87.05617	0.6
87.10034	0.6
89.07160	0.9
91.05478	0.5
96.08134	0.9
97.02880	0.5
97.06547	0.7
98.09686	1.4
98.21484	0.7
100.59121	0.3
101.07157	1.9
101.10780	4.5
102.05548	1.0
102.09191	0.5
110.07168	1.3
111.09210	1.0
112.07603	0.7
112.08776	0.5
119.04959	0.7
120.08115	0.7
121.06494	0.6
123.09184	0.9
124.07617	0.4
125.10778	0.4
126.09266	0.4
127.08643	0.4
129.10243	33.0
130.05005	14.0
130.06490	0.5
130.45850	0.3
131.08205	0.4
132.10243	1.5
133.06154	1.1
136.07597	1.2
138.06589	0.4
139.08691	1.5
141.10210	2.6
143.11798	9.3
147.07652	22.9
151.08656	0.5
152.14374	0.6
153.10239	0.5
157.13339	3.4
168.11362	2.6
169.09755	2.7
169.17027	0.4
171.11314	4.8
180.11375	0.6
183.07674	0.3
183.14906	0.4
185.12843	3.0
186.12372	4.5
186.13910	0.4
189.12411	0.8
197.16516	2.8
199.18037	0.4
200.10379	1.0
201.12363	0.4
204.09909	0.6
212.93684	0.3
225.25119	0.4
228.13550	1.3
229.11852	0.8
236.17522	1.6
239.17664	1.0
242.14957	0.7
245.11462	0.4
245.18686	1.5
246.14400	2.0
247.12938	1.4
253.19296	0.4
254.18790	0.4
260.16071	5.2
264.17181	0.9
270.18201	0.4
271.21249	1.6
278.08319	0.4
281.19739	2.0
282.18314	1.2
284.19687	1.8
287.58609	0.4
298.21378	0.8
299.17319	1.0
299.20709	5.2
302.20990	0.5
313.22479	0.5
317.18173	1.1
317.21991	1.3
389.58014	0.5
412.29428	1.0
413.27847	0.7
430.30402	60.7
431.20108	0.4
431.30603	1.4
452.39899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.7
57.07083	2.6
60.56250	0.3
67.05499	3.2
69.07072	0.5
71.08607	1.2
71.37521	0.4
81.07046	1.4
83.04990	0.4
83.08655	0.3
85.10156	0.6
91.05476	1.1
93.07066	1.8
95.08587	1.1
105.07042	0.5
107.08555	0.9
109.10174	3.9
111.11701	0.4
119.08577	2.5
121.05680	0.6
121.06516	9.6
121.10121	0.4
122.07295	1.5
123.08115	0.5
125.05985	0.5
125.50952	0.4
135.08047	1.4
136.08850	12.8
137.08553	0.6
137.09618	11.5
138.10316	0.4
149.06096	0.5
149.09656	2.6
150.09984	0.6
151.07544	0.8
152.08295	1.3
154.29500	0.4
159.11729	0.5
163.11180	2.3
164.08344	30.0
165.09122	100.0
166.09456	4.7
174.13669	0.4
177.09128	2.0
177.12791	0.6
178.09621	0.9
187.11162	1.1
189.61488	0.3
190.09831	1.3
191.10678	1.4
192.10905	0.7
201.12761	0.4
205.12268	7.1
206.12537	0.7
219.13954	0.4
306.40936	0.4
430.38049	80.5
431.38422	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14496	1.6
66.04602	1.8
70.06591	7.5
71.50773	2.1
72.08156	4.9
73.12685	1.7
84.04510	1.9
84.08145	3.2
85.02896	2.5
86.09705	3.3
97.47936	1.5
98.09712	2.7
98.97607	7.0
101.32807	1.7
112.81421	1.5
112.89578	4.9
114.75362	1.5
117.06265	1.8
121.06534	3.1
127.03924	1.8
135.19054	1.9
139.91428	2.6
147.04469	3.5
184.15947	1.5
219.01810	3.9
340.19757	1.9
361.02243	2.8
430.11169	100.0
430.16449	5.2
431.11676	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42581	0.9
53.03952	9.1
55.01872	11.7
55.05505	1.5
57.03443	6.6
60.04516	2.9
60.19920	0.8
61.02934	6.6
66.73569	1.0
67.05525	1.1
68.15502	0.9
68.99786	3.4
69.03438	29.8
69.07060	1.1
69.44610	6.7
70.06604	4.4
71.05006	5.5
73.02930	9.1
79.05481	1.3
80.05025	1.2
81.03429	32.9
81.07070	1.4
83.01335	1.0
83.04941	1.0
84.04475	2.5
84.08147	3.4
85.02913	100.0
86.09722	2.0
87.00309	1.9
87.00841	33.4
91.03970	3.9
91.05488	1.9
93.07053	1.7
95.08610	1.5
97.02903	33.7
98.06065	1.7
98.09703	1.2
98.21508	2.0
99.04465	19.8
101.02396	1.0
103.03934	1.2
105.01875	36.2
105.06405	1.1
105.07044	10.7
107.08578	1.1
108.04488	9.3
109.02895	33.1
115.03937	1.9
117.01871	4.0
119.08526	1.0
121.06521	4.0
126.05529	3.9
127.03928	80.1
129.01869	6.0
136.07605	1.1
137.05997	2.8
137.09550	1.0
144.06638	0.9
145.04973	53.7
146.72169	0.9
147.02893	4.1
147.04520	1.3
159.02910	29.0
161.05913	1.2
165.09163	2.0
175.06218	0.9
175.07716	1.1
177.03951	2.1
189.03960	1.4
189.09113	5.6
207.10194	2.1
213.03947	3.6
230.06628	3.7
231.05026	21.1
231.10207	4.1
248.07671	5.2
249.06105	2.6
255.10217	1.4
266.08746	1.5
271.03470	0.9
273.11206	2.6
313.67535	1.0
320.67181	1.2
324.92963	4.4
325.17911	1.9
325.43073	1.1
412.21494	2.0
430.16797	1.7
430.22403	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	430.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
54.79211	0.6
55.01882	1.6
55.05513	8.4
56.05037	3.8
57.03438	1.3
57.05842	0.8
58.06602	6.6
60.04537	3.1
60.05646	0.7
64.41729	0.6
67.05520	1.6
68.05038	2.3
69.03436	1.9
69.07072	3.3
70.02962	1.0
70.06596	45.0
71.04983	0.8
71.06919	3.1
71.52144	0.7
72.08159	100.0
73.02915	1.1
73.08485	1.1
74.06090	3.2
81.03416	1.6
81.07051	0.6
82.06587	1.4
82.28776	0.5
83.06102	11.0
84.03994	0.7
84.04129	0.4
84.04507	18.3
84.08146	31.4
85.02919	7.0
85.06552	1.5
85.07668	0.7
85.08466	1.9
86.03232	1.0
86.06078	4.7
86.09709	98.3
87.04473	0.8
87.05602	2.4
87.10037	1.5
87.30618	0.5
88.04011	2.0
89.07204	0.7
90.05569	1.5
91.05479	1.8
91.50028	0.5
94.06610	0.7
95.04956	0.7
95.06113	0.6
96.04512	1.7
96.08123	0.8
97.02914	2.0
98.06051	0.8
98.07176	0.6
98.09713	3.5
100.07587	0.8
101.07160	6.3
102.05551	2.2
103.03954	3.3
103.05499	0.9
104.04305	0.5
105.07058	0.7
106.05052	0.8
107.04952	1.4
109.02884	1.0
110.06025	1.5
110.07196	3.9
112.08742	2.0
113.07119	2.6
114.05549	0.6
114.10342	0.6
115.03935	1.4
115.08681	1.1
116.07102	2.1
117.10260	1.9
119.04948	1.6
120.08119	6.2
121.06502	3.6
121.08405	1.0
124.03931	1.2
124.07558	0.9
126.05499	0.6
127.03924	2.3
127.08683	0.7
128.10701	1.0
129.06613	7.0
129.10246	44.7
130.05025	1.4
130.06520	1.0
130.10629	1.2
131.11749	0.9
132.10159	1.7
133.04953	1.0
135.34222	0.6
136.07605	3.5
138.06654	0.8
138.09135	1.6
139.05026	0.8
139.08629	0.6
140.07050	0.6
140.14363	1.5
141.06569	2.4
141.10164	0.9
143.11758	2.7
145.04918	1.4
145.06073	1.1
147.04402	2.4
147.07634	0.8
147.11281	0.8
148.06053	0.8
149.05994	0.6
152.07076	1.2
152.10724	3.3
155.08160	1.5
155.11798	0.9
156.07805	0.7
156.64458	0.6
157.04962	0.6
157.09743	13.3
157.13362	19.3
159.09203	1.1
163.03851	0.6
166.02690	1.9
166.08498	0.7
169.06065	0.6
169.13361	2.9
171.11292	3.0
173.12868	1.2
181.04872	1.4
183.11235	1.1
183.14948	5.6
183.65126	6.4
185.12871	23.2
185.16429	2.7
186.12370	1.3
187.07111	0.9
187.10825	1.2
189.12360	6.8
195.14928	0.9
196.14464	9.5
197.12897	8.4
197.14546	1.1
197.64757	1.7
199.10696	1.0
199.18086	1.0
200.10284	0.5
200.13956	2.0
201.12373	1.7
203.10231	1.5
203.13844	1.8
204.09865	1.8
207.76991	0.6
208.09703	0.6
210.12447	1.3
211.10716	0.7
213.08711	0.6
213.15924	1.8
214.13571	1.0
214.15489	9.7
217.11752	2.3
218.12117	0.7
219.13377	0.7
224.13995	5.0
225.12321	1.7
228.08662	4.3
228.13437	9.6
229.11850	0.8
229.15472	4.8
230.15645	1.1
239.17435	0.8
240.17155	0.9
242.14999	26.4
243.13362	1.4
246.14433	5.4
256.12830	0.6
256.68265	1.4
257.18384	3.3
257.68542	0.6
260.15948	1.3
268.11386	3.1
270.17932	0.9
286.17511	1.0
292.20020	1.7
292.70404	3.3
293.20242	0.7
296.19724	2.6
299.16968	1.9
299.20361	0.8
299.59885	0.6
306.21692	1.3
307.21945	1.0
313.19437	1.4
313.22314	22.8
317.18188	1.6
323.20630	2.4
324.19269	4.1
327.16452	1.6
328.19501	3.3
328.69577	10.8
329.19589	2.8
340.14041	0.9
341.17859	1.1
341.21881	18.6
343.69031	0.8
361.79575	0.8
412.25668	6.5
413.10275	0.7
413.23987	0.6
429.74396	18.2
430.16196	2.6
430.25488	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	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
50.51950	0.6
53.30815	0.6
55.05514	2.9
57.07079	19.4
67.05507	4.3
69.07073	4.0
71.08636	13.2
71.37582	0.7
76.11883	0.6
79.05482	1.4
79.23352	0.6
81.07065	7.4
83.08618	3.0
85.10187	6.3
90.73329	0.5
91.05482	2.0
93.07043	2.4
95.08620	7.3
95.13969	0.7
97.10159	1.9
105.07023	2.6
107.08614	5.5
109.10155	6.1
111.04435	1.0
111.11734	1.1
117.07009	0.8
119.08571	3.1
121.06490	0.8
121.10162	3.7
122.07294	1.2
123.08031	1.0
123.11697	1.6
125.06020	0.7
125.13301	0.8
126.16238	0.5
131.08554	2.2
133.10124	1.0
135.07172	0.7
135.08057	4.8
135.11684	2.4
137.09616	10.0
137.13228	0.8
139.07555	2.2
139.77405	0.7
144.09312	1.0
145.10136	3.1
147.11667	1.0
149.09618	15.6
151.07516	2.2
153.67545	0.6
153.93527	0.6
158.10803	0.6
159.08020	0.8
159.11671	2.9
160.08896	0.7
161.09613	1.1
162.06749	1.2
163.07558	1.0
163.11200	20.5
163.87567	0.8
165.09122	100.0
173.09619	2.1
173.13249	2.4
175.07536	0.8
175.11191	6.2
176.08327	1.8
177.09119	12.0
177.12738	2.1
179.10703	1.6
186.10355	1.5
187.11162	2.9
187.14879	0.9
189.09111	1.2
189.12758	2.3
190.09941	1.4
191.10655	10.8
201.12766	2.6
203.10674	1.7
203.14334	1.3
204.11554	1.0
205.12256	9.9
215.14279	1.5
219.13853	5.8
233.15326	2.1
247.16916	1.9
261.18481	1.4
274.62836	0.6
275.20142	1.1
289.21649	1.4
303.23340	1.7
317.24777	1.0
331.26331	1.1
359.29510	1.7
401.34195	3.1
411.36163	2.7
425.36365	0.6
429.37302	57.7
430.37827	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
56.05026	1.0
56.96551	0.4
57.03436	0.5
60.04508	0.3
61.02921	0.8
66.76998	0.2
68.05028	0.3
69.03439	1.8
70.06596	3.8
71.19221	0.5
72.08147	0.9
73.02904	0.3
81.03411	0.6
84.04503	12.8
84.08141	2.1
85.02901	4.3
86.06065	0.6
86.09680	0.9
87.04472	0.3
91.05449	2.3
93.07048	4.5
95.04983	0.6
95.31060	0.3
97.02887	1.0
98.06094	0.3
98.60883	0.3
98.97583	1.1
99.04490	0.4
100.77498	0.2
102.05556	0.3
102.78046	0.3
103.05466	2.7
103.74836	0.3
109.02876	0.5
110.07150	0.9
112.08710	0.3
114.05643	0.3
116.27309	0.3
116.98599	0.4
118.82327	0.3
119.04893	0.4
120.08083	1.1
121.06506	100.0
122.06844	0.7
126.05467	0.5
127.03891	0.8
129.10286	0.8
130.05008	9.3
136.07573	0.6
138.09140	14.3
145.04994	0.4
147.04417	1.1
163.07578	0.6
166.08636	0.7
169.02942	0.3
174.81670	0.2
204.10208	0.8
207.40210	0.3
219.01793	0.7
221.12900	3.6
237.02905	0.4
250.10728	9.9
267.13403	41.7
268.13937	0.4
276.99615	0.3
300.14426	2.1
358.75812	0.3
366.15552	0.4
412.16156	2.6
429.18707	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.0
57.21747	3.0
59.04976	4.0
65.03936	8.5
67.05511	44.7
69.03432	7.2
69.07079	17.3
70.06599	23.9
70.14725	12.6
71.04993	46.5
71.76040	3.0
72.08150	23.0
73.06570	4.5
79.05502	17.5
81.03415	4.4
81.07062	43.6
83.04967	8.7
83.08620	12.4
84.04504	4.0
84.08150	23.7
85.02902	8.9
85.36195	3.0
86.06118	3.8
86.09299	3.3
86.09721	37.1
87.08100	4.0
89.06026	5.5
91.05451	19.5
93.07048	42.6
95.01378	3.3
95.04973	41.0
95.08610	23.2
96.04515	3.2
97.02896	4.5
97.06494	3.8
98.09675	5.8
99.08033	4.2
105.07035	57.1
107.04945	4.1
107.08601	53.9
107.12600	3.0
109.06527	8.5
109.10161	100.0
110.07140	4.2
111.00797	5.3
111.08068	9.5
119.08586	58.4
120.08117	9.3
121.06519	22.3
121.10139	32.7
123.04398	3.7
123.08084	7.6
123.11715	5.4
125.09627	49.6
127.03867	4.2
127.11227	4.7
129.01833	6.1
129.07024	3.7
129.10225	10.1
130.07802	3.7
131.08533	19.8
132.08199	2.9
133.10150	19.5
135.11671	29.5
136.07607	3.8
137.09528	4.5
143.08531	6.9
145.10117	32.7
146.11783	4.6
147.08040	10.2
147.11693	97.0
149.09723	6.8
149.13281	7.2
151.11227	4.2
153.12759	29.5
157.10156	9.1
159.11670	9.0
161.09590	7.0
161.13287	4.4
163.11189	4.9
165.09134	6.6
165.12770	8.5
165.22253	3.2
171.11420	4.3
173.13286	3.3
175.11182	8.8
175.14841	7.6
189.16367	42.9
191.17952	9.5
193.15878	16.6
194.24017	3.5
199.14793	6.7
207.17448	11.9
217.15868	42.1
235.16942	58.8
253.18062	20.5
259.20142	5.1
303.93744	3.1
320.07550	4.2
324.93008	17.2
325.17920	4.1
342.75858	3.6
411.20099	5.7
422.84229	3.7
429.17453	6.7
429.23862	29.9
432.89807	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	427.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.6
56.96563	0.4
69.03422	0.5
69.39159	0.7
69.39564	2.0
70.06596	3.1
74.06094	0.4
79.05493	0.8
81.03411	0.4
83.06140	0.4
84.04509	0.6
84.08150	2.8
85.02896	1.3
86.06077	0.5
86.09699	1.3
90.03152	0.4
91.05493	1.1
93.07040	1.4
97.02898	0.7
98.97578	0.9
101.06020	0.7
103.05467	5.8
107.04954	1.7
110.07146	3.0
112.08763	0.4
115.08682	0.3
118.41875	0.3
118.78486	0.4
119.04935	0.6
120.08105	100.0
121.06516	0.7
121.08450	4.6
122.07174	0.5
129.10257	0.8
131.04924	2.2
133.59904	0.3
136.07584	1.0
138.06511	0.4
144.65932	0.3
147.04420	0.9
149.05977	2.1
160.07544	0.4
166.08644	53.0
167.09019	1.9
175.04431	0.4
176.07037	0.8
219.11285	0.4
234.99074	0.4
237.02814	0.6
294.33707	0.4
306.09988	0.3
316.04709	0.4
339.15277	0.3
364.83270	0.5
395.10855	0.9
409.84531	0.3
418.19348	0.3
427.16690	1.7
427.22510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.2
57.03429	0.1
61.42119	0.1
64.74706	0.1
67.05531	0.3
68.76077	0.1
68.84904	0.1
69.14088	1.6
70.06607	0.9
70.50723	0.1
72.08172	0.4
81.07074	0.2
84.04499	0.3
84.08153	0.5
85.02927	0.2
86.09726	0.7
91.05489	0.7
93.07030	0.8
98.09682	0.3
98.21547	0.3
100.12120	0.2
102.89822	0.2
103.05466	2.7
105.07062	0.4
109.10168	0.3
110.07194	0.2
120.08109	100.0
121.06526	0.2
121.08469	1.0
129.10228	0.2
131.04929	0.2
132.08101	0.3
133.10201	0.2
134.09615	0.3
136.07559	0.3
162.09065	0.3
177.10239	12.0
178.10526	0.2
205.09732	4.7
223.10780	20.5
224.11162	0.2
229.14368	0.2
230.14749	0.4
267.14795	0.3
288.43866	0.2
296.23730	0.2
306.15314	0.2
307.14011	0.9
352.16833	0.9
370.17279	0.2
376.96173	0.2
409.18646	0.9
436.71411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05511	26.3
57.07071	15.9
67.05498	24.3
67.22133	4.9
69.07072	40.8
70.96271	10.4
71.08629	6.4
72.97646	4.9
79.05492	12.4
81.07069	63.3
82.70491	6.7
83.08618	17.6
89.06020	18.6
91.05474	15.7
93.07054	49.6
95.08614	89.4
105.07047	39.5
107.08598	75.4
109.10153	55.4
119.08598	60.5
121.10146	76.1
123.11729	34.8
131.08594	5.3
133.08624	6.9
133.10146	43.1
135.11711	59.0
137.13269	24.4
137.83243	4.9
145.10110	14.7
147.11676	44.7
149.13263	43.4
159.11685	11.1
161.13251	43.4
162.66524	5.3
163.14841	40.2
165.12787	5.2
175.14839	14.0
177.16443	10.3
179.14284	11.5
187.14822	7.0
189.16408	26.5
191.18019	38.8
201.16380	12.7
203.17972	74.3
205.19530	10.4
207.17493	6.6
215.18024	10.1
217.19522	26.9
219.21169	8.7
229.19569	6.7
245.22723	12.9
275.03998	5.5
321.02853	7.2
331.27542	6.7
393.23770	9.6
407.36740	23.1
425.21426	9.0
425.28809	11.5
425.33228	6.4
425.37897	100.0
426.46234	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05509	10.2
57.07089	4.8
63.23655	2.3
66.08606	2.8
67.05508	28.7
69.07066	15.9
71.52202	4.8
79.05495	11.0
81.07057	57.1
83.08614	11.2
89.06040	7.9
91.05456	13.2
93.07052	22.9
95.08609	100.0
96.03561	2.5
97.10155	3.8
100.79220	2.7
105.07029	17.3
107.08598	47.1
109.10156	43.9
111.08082	3.4
113.09663	2.5
114.54031	3.1
119.08587	26.2
121.10145	48.6
123.11734	22.6
131.08554	2.9
133.10136	25.4
135.11702	51.8
137.13237	31.3
145.10124	5.2
147.11687	16.8
149.13261	22.9
151.11229	3.9
151.14792	6.0
159.11699	11.7
161.13283	13.3
163.14812	12.6
164.99695	2.7
173.13232	7.0
175.14861	7.9
177.16441	22.6
179.14314	8.6
187.14865	10.7
189.16382	11.2
191.17915	13.8
201.16411	6.1
203.17932	13.6
205.19470	3.7
207.17516	6.1
213.16286	4.0
215.17999	6.7
217.19470	19.1
219.21034	3.6
221.18999	3.1
229.19585	6.9
231.21140	4.2
247.20731	3.3
257.22580	15.1
261.88791	2.9
271.24194	4.2
275.23663	5.1
313.02014	3.0
342.24036	3.3
360.76199	3.3
365.95108	2.8
397.27652	3.4
407.36707	16.7
425.21262	7.8
425.38016	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03954	1.9
53.63899	1.7
55.05515	8.9
57.07080	4.8
58.18789	1.8
67.05231	1.5
67.05511	16.2
69.07072	24.4
69.32787	14.9
71.08588	2.3
74.02325	1.7
79.05482	6.0
81.07059	38.5
81.57214	1.6
83.08601	6.9
89.06046	3.2
91.05479	6.1
93.07050	20.7
95.04905	1.7
95.08613	62.7
97.10165	6.5
105.07037	15.4
107.08592	37.9
109.10163	55.4
111.11745	4.5
119.08587	24.5
121.10143	34.5
121.11022	1.7
123.08060	2.4
123.11704	18.8
131.08565	3.3
133.10150	17.7
135.11705	23.1
135.62627	1.7
137.13249	15.0
145.10126	6.3
147.11650	15.0
149.13264	14.2
159.11725	10.4
161.13263	15.2
163.14812	10.8
173.13274	4.5
175.14844	10.6
177.16374	7.4
179.14346	3.9
179.17865	2.6
185.13248	2.7
187.14873	6.2
189.16406	16.5
191.14409	1.7
191.17937	18.5
199.14658	1.7
201.16350	6.5
203.17944	6.8
205.19501	13.8
207.17448	5.1
215.18004	8.5
217.19569	13.7
219.21201	2.5
229.19551	5.1
231.21039	5.8
233.18988	5.0
239.14912	1.7
240.15231	1.7
241.19356	1.6
243.21112	5.6
245.22614	12.7
247.20503	9.8
255.21136	3.4
257.22665	2.9
259.24164	3.8
261.22174	3.8
269.22684	4.2
271.24207	8.4
273.25687	1.7
283.24310	2.4
285.25723	4.8
287.23657	2.6
297.25745	1.9
338.88770	1.7
340.71185	1.7
407.36859	23.1
425.37769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	3.8
56.05035	3.1
58.06594	0.9
60.04512	1.9
60.05640	0.5
67.05499	1.2
67.75062	0.5
68.05031	2.1
69.03433	1.0
69.07056	1.9
70.02967	0.7
70.06599	13.2
71.04984	1.0
71.06933	0.5
71.51775	0.6
72.08160	7.4
73.08501	0.6
74.06079	1.4
78.03799	0.8
79.05482	0.9
81.07048	1.2
83.04976	1.5
83.06135	1.3
83.08620	1.2
84.04506	22.3
84.08149	15.5
84.44366	0.5
85.02917	3.3
85.04727	0.5
85.08456	1.1
86.06090	3.2
86.09712	49.5
87.10026	0.9
88.03989	0.9
91.05487	13.1
93.07056	1.1
95.04974	6.0
95.08599	0.7
97.02869	0.9
97.06523	0.9
98.06081	1.6
98.09694	2.3
98.73880	0.5
99.04470	1.7
100.02219	1.0
100.07597	0.6
101.07147	0.8
102.03764	1.0
102.05558	7.9
105.07031	1.7
107.04942	2.7
107.08602	1.5
108.04519	0.6
109.06546	1.1
109.10158	1.7
110.07169	4.4
112.08759	1.0
113.07137	1.3
115.08671	0.7
118.06573	0.8
119.04954	11.6
119.08561	0.6
120.08112	6.2
121.06509	2.2
121.08432	0.8
121.10164	1.0
122.06094	0.6
125.07102	1.3
126.05559	0.9
129.10243	7.9
130.05054	0.8
130.08620	1.1
130.10612	0.6
131.08282	0.5
132.10214	36.5
133.10201	1.1
135.06799	2.4
136.07590	100.0
136.31148	0.6
137.07965	2.5
140.14381	1.0
143.08260	0.7
143.11884	0.5
146.02750	1.8
147.03206	1.1
147.04414	13.2
148.06073	1.1
149.07425	1.0
149.13170	0.6
151.11214	2.1
153.06586	1.7
153.09102	3.2
156.07643	0.6
159.07849	1.0
160.07539	0.9
161.09279	0.6
167.14348	2.3
171.11565	0.5
173.09546	0.6
173.13179	0.8
174.09111	0.7
177.13794	1.2
181.09735	0.8
187.11020	0.7
191.14348	0.8
195.59712	0.6
201.12448	0.6
202.08655	14.2
209.15387	15.1
220.09724	4.5
227.16348	1.8
230.08485	0.5
240.38173	0.5
247.10809	24.0
248.09286	0.7
249.15990	6.1
261.14334	0.8
262.10751	0.8
265.11853	23.2
267.49017	0.5
275.10254	7.0
277.15561	1.6
293.11313	6.5
293.13760	0.5
294.12021	2.9
295.16455	4.1
360.19275	0.7
406.20001	0.9
424.12631	1.2
424.19238	2.6
425.09216	0.8
425.13947	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	425.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
55.05513	2.7
56.05034	3.1
57.03443	4.7
57.03675	0.7
59.04981	1.0
60.04519	1.0
61.02943	1.4
63.07280	0.7
63.71870	0.9
64.24988	0.8
67.05502	2.8
68.05019	1.1
69.03445	2.2
69.07078	1.9
70.06599	24.2
71.05000	30.7
71.06955	0.8
71.51134	1.3
72.08173	4.3
73.02929	1.6
74.06082	3.1
75.04491	4.8
77.54611	0.7
79.05538	0.9
81.03423	1.8
81.07077	1.5
82.06593	1.1
83.04987	7.3
83.14185	0.7
84.04518	4.8
84.08153	16.1
85.02914	54.8
85.08487	1.2
86.06068	2.1
86.09715	11.0
87.04465	1.3
88.04031	0.8
91.05477	2.6
95.04962	1.4
96.08170	1.8
97.02908	6.1
98.06118	1.0
98.09704	100.0
99.04477	1.8
101.07176	1.2
102.05540	1.2
102.08282	0.8
109.02851	0.9
109.10242	1.0
110.06023	1.2
110.07186	7.2
111.04440	6.0
111.10526	1.0
119.04987	5.5
120.08126	4.0
121.06524	2.4
122.06015	0.9
123.04462	0.8
124.07627	2.9
126.05516	0.8
127.03931	4.1
129.05493	23.0
129.10258	7.0
136.07573	4.0
137.05994	1.0
138.12825	1.7
139.08868	0.8
140.14352	28.1
145.04976	6.3
147.04436	23.0
147.06493	11.4
150.05528	1.0
158.15424	11.6
163.06062	1.9
164.07062	1.2
164.09224	2.9
166.05270	0.9
187.10852	0.9
195.08891	1.5
203.08345	1.0
234.13490	0.9
246.13411	6.5
255.08717	1.6
262.12582	1.3
304.19098	14.7
304.22296	1.2
309.11917	2.3
314.59662	1.0
365.05396	1.6
371.16077	1.4
373.85654	0.8
408.18524	1.2
425.21149	61.2
425.77930	0.8
426.21817	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	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.9
55.01884	1.3
55.05514	6.6
57.03443	1.8
57.07068	2.1
66.80407	0.7
67.05514	9.1
69.03449	0.7
69.07075	10.4
69.27353	3.5
69.27772	1.9
71.04996	1.2
71.08630	1.3
71.94112	0.7
76.36937	0.7
79.05497	5.6
81.07062	14.4
83.04978	1.1
83.08646	3.3
85.06537	1.5
89.06023	0.8
91.05477	4.7
93.07047	10.8
95.04982	1.2
95.08614	13.1
95.09178	1.2
97.06555	1.6
97.10177	1.6
98.19822	0.7
98.20686	1.3
99.08125	0.9
105.07040	9.5
107.08605	11.6
109.06522	10.1
109.10165	7.1
109.97969	0.7
111.08087	2.1
117.07010	1.3
119.08590	9.4
119.21337	0.6
121.06512	1.1
121.10155	8.2
122.07326	0.9
123.08075	43.4
123.11729	3.6
125.09621	1.1
129.07001	0.7
131.08559	3.3
133.10136	6.9
135.08072	8.8
135.11708	5.3
137.09616	2.7
141.12834	0.6
144.09308	0.7
145.10135	5.2
147.11707	6.3
149.09663	3.6
149.13266	5.1
157.10117	1.3
159.11678	4.6
161.13255	3.3
163.11247	1.0
163.14865	1.3
165.12761	1.1
171.11653	1.1
172.93565	0.7
173.13306	3.0
175.14844	3.8
177.12747	5.1
179.14317	15.0
187.14854	1.3
189.16449	0.8
191.14325	0.9
193.15967	0.8
199.14848	1.1
201.16391	1.4
205.15858	0.9
215.18019	0.8
219.73935	0.7
221.15410	1.3
229.19585	2.8
233.18916	0.7
245.19022	0.8
247.20641	2.4
249.35629	0.8
263.20087	1.9
267.21240	0.8
275.20090	5.6
277.21765	0.8
293.20932	0.8
303.26630	4.6
313.25336	1.0
329.34137	0.8
331.26337	29.7
332.27026	1.0
367.24869	2.6
405.30420	1.1
405.35522	1.0
423.31122	100.0
423.35870	5.0
424.31586	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
53.70174	0.7
55.01868	1.5
55.05514	6.9
57.03440	2.6
57.07077	3.0
59.04983	0.6
65.03941	0.6
67.05504	26.1
67.55016	0.5
69.03434	0.8
69.07069	7.6
69.88197	2.3
71.05001	2.3
71.08621	1.8
75.04459	0.7
79.05496	8.8
79.05920	1.0
81.07062	18.6
83.04987	1.7
83.08612	3.8
85.06554	2.2
85.26637	0.5
91.05480	7.1
93.07047	12.8
95.04977	1.9
95.08613	13.7
97.06555	2.3
97.10181	0.5
99.08111	1.2
105.07039	8.0
107.08595	10.1
109.02863	0.6
109.06526	11.9
109.10160	15.1
111.08109	2.4
117.07027	1.6
119.08595	7.9
121.06536	1.5
121.10158	6.8
122.07330	0.9
123.08070	44.3
123.11742	2.1
125.09699	1.0
131.08546	3.0
133.10133	5.2
135.08066	9.3
135.11664	4.6
137.09602	3.0
145.10135	2.6
147.11649	3.6
149.09605	2.8
149.13255	4.6
151.11209	0.8
155.10774	0.6
159.11691	4.0
161.09682	1.0
161.13295	1.8
165.12779	1.2
167.14403	1.0
173.11809	3.5
173.13347	2.2
175.14885	2.0
177.12738	4.9
179.14313	31.5
187.14828	1.1
193.15935	0.7
195.13885	1.3
201.16417	0.9
205.15952	1.4
215.17972	1.0
233.19093	0.9
247.20770	1.9
261.22253	0.9
263.20163	1.2
273.87173	0.6
275.20050	5.7
277.21872	0.6
289.25372	0.8
293.21198	0.7
303.26733	3.4
331.26303	30.9
349.27640	1.2
367.25046	2.0
401.46506	0.6
405.30276	0.6
423.31271	100.0
424.31485	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	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05516	5.4
57.03432	1.9
57.07069	1.3
57.11692	0.4
58.97809	0.4
67.05509	6.5
69.06732	0.6
69.07075	7.7
70.64476	1.3
71.04997	1.2
71.08635	1.0
75.04480	0.7
79.05494	4.1
81.07065	10.5
82.26591	0.4
82.65929	0.4
83.04969	0.8
83.08626	3.2
85.06546	1.1
91.05489	2.6
93.07041	5.7
95.04952	1.0
95.08094	0.4
95.08612	9.1
95.09187	0.8
97.06532	1.8
97.10159	0.9
99.08092	1.2
105.07044	4.5
107.08598	6.6
109.06519	9.0
109.10156	4.7
111.08097	1.6
117.07027	0.5
119.08579	4.8
121.06499	0.8
121.10139	4.4
122.07281	0.7
123.08072	39.1
123.11707	1.9
125.09624	0.9
131.08583	1.5
133.10173	3.5
135.08058	6.2
135.11674	2.4
137.09628	3.3
137.13258	0.8
145.10139	1.7
147.11732	2.2
149.09624	2.4
149.13269	1.1
151.11227	0.7
157.10059	0.5
159.11740	2.4
161.13281	1.9
163.11115	0.5
165.12735	0.8
167.14317	0.7
173.13283	0.9
175.14819	1.0
177.12750	3.1
179.14311	19.9
187.14772	0.5
189.16446	0.6
193.15947	0.5
205.15932	1.0
222.87698	0.4
233.19040	0.9
247.20601	0.9
261.22107	0.4
263.20090	1.6
275.20074	3.5
289.25253	0.9
293.21185	2.0
303.26816	3.1
307.22543	0.5
313.25256	0.6
331.26324	23.6
349.27399	6.2
367.24814	1.5
405.30115	1.5
423.31073	100.0
424.31442	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05516	5.0
57.03435	2.2
57.07063	2.4
67.05241	0.5
67.05510	6.8
69.07076	8.4
71.04986	1.2
71.08620	2.2
71.37513	1.0
79.05503	4.4
81.07063	11.6
83.08636	3.7
85.06537	1.4
87.75950	0.6
91.05492	4.0
93.07054	5.9
95.05020	0.8
95.08610	7.7
96.64536	0.6
97.06532	1.9
97.10192	0.9
98.29104	0.6
99.08127	1.4
105.07031	4.0
107.08617	4.8
109.06537	10.4
109.10159	4.9
109.32832	0.5
111.08077	1.1
117.07076	0.8
119.08608	4.6
121.10142	4.6
122.07318	1.1
123.08079	40.1
123.11730	1.4
131.08560	1.2
133.10138	3.8
135.08043	7.2
135.11684	1.9
137.09637	3.0
137.13290	1.1
142.40671	0.6
145.10123	2.2
147.11702	2.6
149.09650	2.3
149.13251	1.8
151.11160	0.8
155.10722	0.7
159.11662	2.1
161.13295	1.5
163.11171	0.8
165.12785	1.3
173.13391	0.7
175.14922	0.9
177.12766	2.8
179.14323	30.3
191.14336	0.7
193.15836	1.2
205.15907	1.1
233.19115	1.6
247.20525	1.4
263.20108	1.6
275.20142	3.4
289.25378	1.2
293.20966	2.9
303.26840	3.3
331.26346	26.9
332.26508	0.7
349.27444	6.2
367.24872	1.4
405.30026	1.4
411.84433	0.7
423.31091	100.0
424.31421	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	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.2
54.28927	4.2
55.01866	7.2
55.05520	33.5
57.03427	10.8
67.05514	100.0
69.03447	18.4
69.07081	32.2
69.25973	32.6
71.04999	11.0
71.08628	5.2
71.65678	3.9
79.05071	5.0
79.05501	58.0
81.03429	22.1
81.07069	84.5
83.04980	16.0
83.08611	16.3
85.02908	10.8
91.05488	59.8
93.07063	74.9
95.04977	11.2
95.08622	53.8
97.02897	11.6
97.06541	10.2
97.10162	10.0
98.20795	7.0
99.04443	5.0
103.04018	4.5
105.07037	47.4
107.04948	8.7
107.08610	48.9
108.85803	4.4
109.02994	3.6
109.06561	19.8
109.07168	4.0
109.10166	49.6
110.38525	3.6
111.04457	8.0
111.08085	8.7
113.09641	5.8
117.07019	27.1
119.08603	44.2
121.06528	13.1
121.10161	31.9
123.08064	25.7
123.11721	11.7
127.03987	5.3
129.06984	12.3
131.08577	30.7
133.06496	4.9
133.10124	31.0
135.08080	12.2
135.11678	21.5
137.09651	6.3
143.08582	14.6
145.10139	25.2
147.08125	6.0
147.11716	26.0
149.09651	7.1
149.13258	11.9
151.07594	6.8
155.08575	6.3
157.10095	9.4
159.11749	23.2
161.13283	15.9
163.14796	4.8
165.12769	4.9
167.08476	4.2
171.11668	13.6
173.11816	8.4
173.13268	16.5
175.14929	5.0
176.27898	3.8
177.12698	7.3
179.14359	29.6
181.10178	5.6
183.11717	6.6
185.13313	7.9
187.11145	5.2
187.14775	8.1
197.13303	6.7
199.14839	4.9
201.12646	3.8
241.19548	5.5
243.21208	5.6
259.20615	10.8
261.22192	16.0
275.19910	4.3
277.21683	6.2
289.21555	4.3
301.21710	8.3
303.23096	14.8
313.21631	6.5
315.23102	6.2
327.23346	5.0
331.22571	10.7
331.26291	19.3
345.24051	5.9
349.23517	6.5
349.27420	7.3
351.23340	4.6
369.24277	25.6
387.25266	16.5
405.26370	44.1
408.07224	3.9
423.26883	30.5
423.31134	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01864	2.5
55.05513	14.4
55.75334	1.4
57.03419	3.8
57.07053	3.0
59.04992	3.4
60.92977	1.5
62.76279	1.6
65.03931	3.7
67.05505	100.0
69.03414	6.8
69.07067	20.1
70.69324	1.9
70.69635	2.6
71.04984	3.5
77.49952	1.5
79.05495	32.7
79.34252	1.5
81.03409	7.4
81.07057	60.9
83.04986	5.3
83.08617	12.2
85.02898	4.4
85.06548	3.1
86.64899	1.7
87.00658	1.5
91.05479	23.8
91.36914	1.5
93.07043	36.8
94.06570	1.7
95.04992	8.1
95.08602	20.2
97.02889	4.3
97.03565	1.4
97.06528	5.8
97.10165	2.5
99.04433	2.5
99.08091	2.0
105.07037	18.7
107.08598	22.1
109.09388	2.6
109.10153	43.5
111.04447	2.2
111.08065	7.5
111.38383	1.6
117.07008	9.2
119.08559	14.3
121.06520	2.9
121.10136	14.5
123.08085	3.6
123.11702	6.4
129.07018	3.0
131.08551	14.9
133.10123	13.9
135.08075	2.8
135.11713	11.3
137.09615	4.4
137.13229	1.6
139.11163	1.7
143.08536	3.6
145.10167	7.6
147.08037	2.0
147.11685	5.7
149.13254	14.2
155.10657	4.6
157.10127	3.8
159.11679	9.2
161.13225	4.8
171.11726	5.0
173.11748	14.9
173.13275	4.2
175.11191	3.1
177.12836	3.5
179.14375	2.9
185.13269	3.5
187.14894	1.9
195.13797	7.9
197.13255	2.5
199.14886	2.7
221.13081	2.1
259.20709	3.8
261.22089	5.7
331.26324	5.7
345.24078	2.7
362.14987	1.9
369.24362	4.8
387.25479	5.6
405.26328	6.6
423.27362	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
55.05269	1.0
55.05514	11.1
56.05032	2.7
57.03452	1.0
57.05811	1.2
60.04526	2.3
60.05655	0.7
61.01155	2.1
63.04976	0.6
65.97722	0.6
67.05499	2.1
68.05047	0.7
69.03436	0.8
69.07072	1.3
69.18298	6.0
70.06593	15.9
71.05003	1.5
71.06908	1.0
72.04515	3.8
72.08157	100.0
73.02924	1.5
74.06079	2.6
78.03796	4.1
79.05510	0.8
81.07037	0.9
83.04956	0.8
83.06111	2.3
84.04499	5.6
84.08141	15.2
85.02904	4.9
85.06528	1.0
86.06071	1.8
86.09711	17.8
88.02230	2.4
88.03976	0.8
91.05477	3.6
93.07015	0.9
97.02879	1.4
97.06548	1.2
98.06062	1.8
98.09692	3.8
98.20718	0.6
98.37819	0.6
99.04494	2.9
99.05577	1.3
101.07138	1.0
102.03772	7.0
102.05531	1.9
103.02186	0.7
103.03966	5.0
103.05461	2.1
109.02859	1.2
110.07178	2.7
112.07602	0.8
112.08758	0.8
113.07122	0.9
114.03751	1.0
114.05528	0.9
116.07091	1.7
119.04921	2.1
120.04772	1.5
120.06613	3.6
120.08106	80.5
121.06528	0.6
121.08495	1.1
124.07598	0.9
125.02229	0.6
125.07120	0.9
126.05514	5.0
127.03933	3.5
129.06606	0.7
129.10240	10.6
130.05002	2.7
130.06587	0.6
131.06393	2.9
131.08583	0.6
132.04793	3.5
132.08034	0.7
132.10190	2.6
134.06024	0.7
136.06563	0.8
136.07579	12.0
138.05527	0.8
140.14304	1.3
141.06551	0.9
142.08662	1.5
143.08179	1.2
143.11777	2.2
146.02667	0.8
147.04408	3.2
147.11345	0.9
148.06032	1.0
148.07515	0.7
149.07436	11.3
152.07132	0.7
155.70906	0.6
156.07689	0.6
158.15480	0.6
159.05849	0.7
159.07755	0.7
159.09123	0.8
161.09271	0.8
165.06711	0.6
171.11365	0.6
175.05356	0.7
177.10236	34.4
180.06613	3.3
181.09761	0.8
182.08110	0.9
183.21515	0.6
186.12570	0.6
187.10788	1.4
193.09615	0.7
198.07593	0.9
201.12366	5.9
202.08644	1.1
205.09729	32.8
206.10124	0.8
207.11252	0.8
219.13394	18.0
219.15378	1.2
223.10690	0.9
229.04913	0.8
231.11600	0.8
241.09760	0.6
246.12463	0.9
247.10767	1.8
249.15926	1.2
257.04468	2.8
257.09500	0.8
259.14417	5.7
261.03897	0.9
261.12427	1.6
271.06107	0.7
273.03937	13.9
274.04074	0.7
275.10458	1.7
285.03903	1.9
292.16669	0.6
293.11655	25.0
297.03946	0.9
299.05441	2.8
303.04956	9.0
304.16544	7.7
313.07010	1.2
324.92737	1.7
325.17868	1.4
327.04901	4.5
327.09131	1.0
339.04898	1.8
345.10901	0.8
351.05060	1.7
357.05768	1.7
369.05914	1.9
369.14658	1.6
387.06836	2.5
387.11264	0.9
387.15771	0.9
405.08109	1.4
405.13599	1.0
405.16656	7.9
405.21219	3.7
423.13547	1.5
423.21692	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	423.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
55.05506	1.3
56.05025	2.2
57.07079	1.1
60.04502	1.0
61.01147	8.4
67.05501	2.7
69.07047	1.5
70.02946	1.6
70.06589	11.0
70.66333	2.8
71.04969	1.6
72.04155	1.2
72.04514	13.8
72.08160	18.1
73.02906	2.7
78.03791	17.7
81.07049	1.4
83.04977	2.1
83.06100	1.1
84.04491	3.8
84.08145	12.7
85.02912	10.2
85.06605	0.9
86.06053	2.8
86.09704	10.4
86.10198	1.4
88.02215	5.1
90.05573	1.0
91.05469	3.0
95.04964	1.8
97.02898	1.2
98.02425	1.7
98.06030	2.2
98.09711	4.2
99.04460	6.9
99.05576	3.9
100.02214	1.0
102.03769	25.2
102.05547	1.5
103.02162	3.1
103.03944	13.9
104.01731	1.4
104.15918	0.9
104.93565	1.0
108.04453	0.8
109.02856	4.3
110.07114	2.2
112.07568	1.0
113.05987	2.6
114.03744	3.8
114.05541	2.2
116.07083	0.9
119.04910	1.7
120.04800	5.0
120.08109	12.1
124.07600	1.7
126.05515	20.7
127.03950	6.7
129.10255	6.5
130.04880	0.8
131.06374	13.0
132.04790	16.4
132.10161	1.8
136.07600	13.1
140.14330	2.0
141.06596	1.5
142.08632	6.8
143.11800	1.0
146.02687	1.9
147.04434	1.8
147.05830	2.2
149.07445	54.3
152.07091	2.2
154.08647	2.5
156.06538	1.6
157.10757	1.0
158.02744	1.6
159.05844	3.1
175.05376	3.8
177.10226	3.4
180.04973	1.1
180.06555	15.1
181.09702	1.2
184.09673	1.9
186.05862	1.0
194.08430	0.8
198.07561	3.0
204.06888	1.0
205.09749	3.5
216.08665	2.7
219.13574	1.7
227.23474	0.8
231.11670	3.9
257.09631	1.6
261.12650	4.3
273.04080	1.0
275.10458	2.9
292.12790	1.6
293.11649	100.0
302.12161	1.1
304.16531	1.8
327.09747	2.7
334.38748	1.0
345.10675	2.2
363.10248	1.0
369.14816	1.9
387.15961	1.3
405.12753	3.0
405.16995	34.3
423.13568	5.0
423.22278	1.2
423.28156	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04786	0.3
56.05035	2.9
57.03423	0.4
63.89886	0.2
68.05022	0.3
69.07065	0.4
70.06587	1.0
70.14687	0.6
73.31761	0.2
74.06084	9.3
81.07043	0.3
84.04488	0.3
84.08143	0.6
86.06094	1.0
86.09708	100.0
87.10072	0.3
91.05495	0.4
93.07059	0.4
95.08652	0.2
96.08096	0.2
98.06051	1.2
99.05564	0.4
103.05482	0.5
105.07038	0.4
116.07098	1.2
120.08108	12.3
121.06490	0.3
124.11282	0.2
126.05521	5.2
126.06375	0.2
129.10287	0.2
136.07533	0.2
139.12325	0.4
141.13861	0.3
144.06567	0.8
149.05943	0.3
166.08653	6.0
169.13423	0.2
187.14432	0.4
195.11301	2.8
211.14455	1.0
229.15509	0.2
233.16570	0.3
239.13916	15.0
257.14859	1.1
279.17044	11.8
279.20193	0.4
360.19266	1.7
392.36725	0.2
404.17044	0.4
404.21704	0.5
422.18213	0.7
422.26306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49940	0.7
55.05518	0.9
56.05031	1.7
58.06597	4.0
67.05503	2.9
68.05014	2.0
69.03417	0.7
69.07071	4.1
70.06583	3.8
70.89956	1.4
72.08147	0.9
74.06084	0.8
75.47068	0.6
76.59801	0.6
81.07052	0.7
84.04504	1.3
84.08150	46.0
85.02913	2.2
86.06065	3.0
86.09691	0.9
91.05512	0.7
97.02890	0.8
98.04941	0.5
98.06052	0.9
98.09673	1.6
99.05545	0.6
109.10156	1.4
119.04923	0.7
120.08094	2.0
126.12803	33.3
129.10262	0.8
136.07549	1.2
137.52652	0.6
144.13783	0.9
147.04352	1.4
156.17474	5.7
174.18550	50.7
176.42738	0.6
177.03287	0.9
181.92662	0.6
186.14905	100.0
187.15302	1.0
200.16501	1.1
211.37202	0.6
256.77954	0.6
289.05890	0.7
307.10394	0.8
404.13345	1.2
422.14365	8.4
422.19412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.7
58.15300	0.4
65.03941	0.5
67.05492	0.9
69.87649	0.6
69.88068	1.0
70.06583	1.0
70.21236	0.3
71.04977	0.4
84.08157	17.5
86.06061	0.5
86.09712	0.7
91.05486	5.6
97.02883	0.6
98.09697	0.5
98.21413	0.5
107.04977	0.6
109.10158	0.5
119.04958	17.4
120.56684	0.4
124.48454	0.3
126.12807	13.8
127.05235	0.3
129.10202	0.5
144.13857	29.5
144.31636	0.3
145.14201	0.3
147.04427	100.0
148.04819	0.8
201.05435	2.0
257.21994	0.3
261.07596	3.0
279.08731	1.1
290.17664	0.6
309.26096	0.3
358.16660	0.4
386.92664	0.4
391.17932	0.4
394.11197	0.3
404.17084	0.4
422.21817	42.2
423.21988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
55.05510	0.7
56.05037	2.2
57.03452	0.3
57.40943	0.2
58.06604	0.3
60.04525	0.5
65.03945	0.7
67.05512	2.3
67.09167	0.2
68.05029	0.7
69.03447	0.5
70.06600	5.5
70.55507	0.3
70.55840	0.5
71.04995	0.5
72.08167	1.5
73.02953	0.2
74.06084	0.5
79.05455	0.3
81.07060	0.4
82.06595	0.3
82.81253	0.2
84.04529	0.9
84.08154	40.6
85.02921	0.5
85.08512	0.3
86.06075	1.1
86.09709	2.5
87.05592	0.3
88.03987	0.3
90.11348	0.2
91.05482	4.0
96.08147	0.3
97.02896	0.6
97.06550	0.2
97.08925	0.3
98.09705	2.0
107.04970	0.6
109.10157	0.4
109.73597	0.2
110.07168	1.4
114.05521	0.7
115.03947	0.3
115.05879	0.3
115.08707	0.3
119.04955	14.8
120.08115	0.6
123.08043	0.3
126.12807	20.7
128.12119	0.2
129.10236	1.2
136.07603	0.7
140.14395	0.4
143.08566	0.2
144.13853	6.2
145.06476	0.4
147.04425	100.0
148.04811	0.7
157.06491	0.2
158.15503	0.2
201.05489	2.7
207.13712	0.3
215.13872	0.3
261.07611	6.9
279.08676	1.9
290.17426	1.1
301.11917	0.4
328.15091	0.2
422.21832	50.1
423.22064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
55.05502	0.5
56.05031	0.9
65.03931	0.6
67.05515	1.2
68.05040	0.2
69.03429	0.6
70.06602	1.3
71.51381	0.3
72.08147	0.7
81.07053	0.3
84.08151	18.2
86.09690	1.2
91.05487	5.3
97.02889	0.9
97.27621	0.2
98.09692	0.7
99.34232	0.3
107.04935	0.6
109.10177	0.4
110.07206	0.3
115.03953	0.6
119.04954	17.0
120.08092	0.7
126.12805	13.7
129.10201	0.4
130.94620	0.3
136.07590	0.3
137.09576	0.3
144.12206	0.4
144.12614	0.4
144.13849	28.5
147.04420	100.0
148.04735	0.9
161.09587	0.3
165.09103	0.4
172.15388	0.2
189.16791	0.3
197.22398	0.3
199.64784	0.3
201.05486	3.4
207.10225	0.8
261.07599	4.6
263.99808	0.3
279.08649	1.0
290.17520	1.0
422.21783	42.8
423.22156	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
57.07082	16.3
67.05501	2.3
69.07032	0.4
69.96516	1.0
70.06596	0.6
71.04977	0.5
78.81013	0.3
79.05480	1.3
81.03419	0.4
81.07048	1.6
84.08150	0.5
85.02923	0.4
88.07635	0.3
91.05477	1.6
93.07039	1.2
95.04960	1.5
95.08639	0.7
97.06527	0.4
97.10188	0.5
98.28062	0.4
105.07030	1.2
107.04980	0.5
107.08588	1.1
109.06520	0.8
109.10152	0.9
111.08086	0.5
117.07024	0.5
119.08578	0.7
121.06455	0.6
121.10178	0.7
125.07117	2.1
126.05511	2.5
129.06956	0.4
131.08569	0.7
133.10104	0.4
135.08026	0.8
137.05933	0.4
137.09669	0.4
143.08543	0.7
145.10081	0.5
147.11642	0.6
149.02367	0.7
149.09663	0.4
157.10141	0.5
163.11174	0.4
187.96466	0.4
190.50928	0.4
193.04970	0.6
193.12206	0.4
208.14413	1.1
209.12894	7.3
210.11333	0.5
218.12918	2.6
219.11261	1.2
260.15048	0.5
275.17563	4.3
292.20184	4.4
293.18591	5.4
302.18655	10.1
331.43484	0.4
358.24756	0.9
376.25958	100.0
377.26389	1.9
394.27045	1.8
403.24747	0.8
417.10086	0.4
421.25931	1.5
421.31699	5.9
422.28818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1704
Annotation	Lamioside
Peak:m/z	Relative Intensity
55.01869	7.3
55.05508	6.6
57.03426	3.6
65.03944	3.4
67.01846	4.6
67.05512	13.0
69.03422	5.4
69.07076	13.1
70.06601	4.0
71.04998	5.5
71.52422	3.9
79.05492	22.9
81.07068	35.4
81.97956	1.9
82.02311	2.1
83.04999	2.6
85.02920	3.5
85.06542	16.9
86.99678	2.0
91.05495	11.6
93.07046	49.8
95.01343	8.5
95.04972	6.2
95.08627	10.0
97.02892	8.9
97.06518	15.7
99.04475	15.2
105.07044	41.5
107.08604	61.1
108.08939	2.3
109.06533	17.1
110.28632	2.3
111.08096	8.1
113.06017	6.6
117.07025	6.7
119.08585	19.4
121.06526	23.6
121.10159	56.7
123.08070	6.0
127.07574	5.1
130.07748	2.7
131.08569	4.3
135.08043	16.4
135.11707	15.1
139.07643	3.4
139.11150	3.8
141.01833	17.2
142.10027	2.4
145.10146	35.3
147.11703	6.0
149.09628	23.0
151.07549	4.9
156.44179	2.2
159.02878	3.0
163.11197	100.0
166.08574	2.2
167.10693	42.0
169.08612	52.6
173.09660	11.4
181.12254	34.7
185.11748	18.3
191.08948	3.8
191.10683	84.4
209.11745	62.0
227.12808	89.0
228.13263	3.2
270.32104	2.3
297.92789	2.2
329.16190	2.5
343.13892	6.8
367.13943	9.3
370.45856	3.0
385.14862	8.3
403.15955	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	421.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01868	3.8
55.05515	10.2
57.03440	10.5
57.07082	32.3
66.13892	1.2
67.05508	18.0
69.03413	1.3
69.07075	10.9
78.24319	1.2
79.05492	10.4
81.07062	28.3
83.04994	4.7
83.08631	4.3
85.06552	17.9
88.07643	1.5
91.05487	10.0
91.10824	1.1
93.07044	17.9
95.04983	4.0
95.08612	16.2
97.06540	4.8
97.10166	1.7
100.39205	1.2
102.30304	1.2
105.07023	8.3
107.04932	1.4
107.08606	16.6
109.06525	12.4
109.10169	8.1
111.04447	3.4
111.08093	3.8
116.45771	1.3
117.07013	2.0
119.08616	7.4
121.06507	2.0
121.10164	7.2
123.08052	10.9
123.11704	3.6
125.06021	3.0
125.09620	1.5
129.07001	1.3
131.08578	4.9
133.10121	6.6
135.08058	22.6
135.11742	4.9
137.05994	24.3
137.09650	2.5
137.13278	1.5
139.07602	2.8
142.07755	1.5
143.08582	2.5
145.10156	5.3
147.08064	2.2
147.11690	4.4
149.09613	4.4
149.13330	2.8
151.07607	6.1
151.11168	3.4
153.12723	2.5
157.10115	3.0
159.08092	2.3
159.11681	3.0
161.09642	2.8
161.13275	3.0
163.11229	2.8
163.14845	1.9
165.09059	1.7
165.12770	5.6
167.14374	1.5
169.10173	1.4
173.09735	1.6
173.11780	1.4
173.13274	2.6
175.11211	2.6
177.12766	9.1
179.14380	3.2
181.12231	1.7
191.14424	3.9
193.12277	3.2
195.13858	2.4
203.14384	1.7
203.17915	1.5
205.15929	1.5
207.13846	7.4
233.19061	3.2
263.20117	5.9
291.19623	1.7
319.26389	11.3
329.21310	2.3
329.24890	5.1
337.27307	6.3
347.25842	100.0
348.25989	1.5
365.26877	21.6
393.30023	11.1
403.29053	2.7
421.29614	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
55.01876	6.0
55.05516	15.0
57.03436	9.9
57.07075	7.7
67.05170	3.5
67.05505	30.6
68.05855	2.4
69.03424	2.9
69.07076	29.3
70.63468	6.4
71.05016	3.8
75.59772	1.7
79.05502	16.8
79.65594	1.9
81.07062	33.6
83.04999	5.6
83.08620	8.9
85.06570	6.8
91.05495	13.8
92.55534	1.9
93.07061	27.5
95.04990	4.8
95.08613	28.0
95.09163	2.1
97.06520	13.2
97.10208	3.5
99.08058	2.0
101.70132	1.9
105.07050	15.6
107.08589	30.1
109.06537	17.2
109.10194	9.1
111.04458	7.6
111.08111	5.9
117.07049	5.0
119.08581	10.7
121.06537	5.2
121.10146	10.1
123.08073	11.2
123.11676	3.4
125.06001	5.4
125.09678	2.2
131.08560	5.4
133.10147	9.3
135.08070	41.9
135.11694	12.5
137.05984	19.0
137.09669	3.3
143.08556	3.1
145.10156	8.4
147.08095	4.3
147.11754	5.5
149.09634	8.8
149.13208	2.7
151.07524	9.9
153.12793	5.5
159.11732	5.3
161.09627	5.9
161.13406	3.1
163.11206	4.7
163.14951	3.2
165.12813	7.1
167.14346	3.5
171.11685	3.5
175.11209	4.2
177.12712	11.5
179.14296	4.3
181.12273	6.5
191.14397	4.9
205.15869	2.5
207.06671	2.3
217.14333	2.9
221.18987	4.6
235.20776	2.9
263.20132	5.6
287.23975	2.5
301.25165	3.7
305.21420	4.4
305.24738	78.5
305.28214	4.3
309.12842	2.1
319.26257	17.7
329.24792	13.7
337.27374	2.6
347.25839	92.6
365.26868	10.5
393.30203	6.1
403.28827	4.9
421.29633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2021
Annotation	Torrubiellone A
Peak:m/z	Relative Intensity
53.03942	1.8
55.01874	5.6
55.05516	30.0
55.86351	0.7
56.05048	1.7
57.03441	2.0
65.03957	0.9
67.05514	8.2
68.05040	3.8
69.03426	4.1
69.07074	6.4
70.06599	5.3
70.09555	2.0
70.09899	0.9
72.08164	1.0
73.02914	0.7
74.06084	1.0
79.05503	11.5
79.40337	0.8
80.05006	1.2
81.03415	3.1
81.06660	1.1
81.07070	13.5
82.02948	1.7
82.06580	1.6
83.04980	2.5
83.08158	0.9
83.08630	14.7
84.04502	2.0
84.08153	4.7
85.02888	2.8
85.86531	0.7
86.06103	4.2
86.09705	2.5
88.03983	1.0
91.05488	8.5
93.07048	7.6
94.06609	1.3
95.04963	2.8
95.08612	3.2
96.04475	1.6
96.08176	0.7
97.02895	1.9
97.06533	2.1
97.09553	1.3
97.10180	24.4
98.06056	0.7
98.09708	5.5
100.37705	0.6
105.07032	5.8
106.06587	0.9
107.04982	2.4
107.08608	8.0
108.04501	2.6
108.08099	1.5
109.06532	1.7
109.07628	0.7
109.10178	2.2
110.02383	1.5
110.07180	1.8
110.09644	1.0
111.08084	1.3
115.05485	2.5
115.68346	0.7
117.05756	0.9
117.07022	5.7
118.06503	0.8
118.87143	0.8
119.04932	2.6
119.08569	2.5
120.08144	1.7
120.12744	0.7
121.06508	4.3
121.10130	0.9
122.06091	3.8
123.04446	0.8
123.08076	1.7
124.03951	0.8
124.07618	1.2
125.09630	13.1
127.03922	1.4
128.03433	1.8
128.06194	1.2
129.07002	3.4
129.10210	1.0
130.05046	1.1
130.06500	1.3
131.08582	3.1
132.04410	0.9
132.08099	2.7
133.06479	2.9
133.10139	1.3
134.06036	3.9
134.09665	0.8
135.08054	2.8
136.07576	2.5
140.14337	1.0
141.06995	1.6
142.06461	1.6
143.08580	2.5
144.08075	0.9
145.05228	2.4
145.06496	2.0
145.10107	2.5
146.05978	3.6
146.09650	1.6
147.04375	1.0
147.08051	2.2
148.03947	0.9
148.07576	2.5
148.11220	1.0
149.05957	2.5
150.05502	1.8
150.09187	1.9
155.08514	0.8
158.06023	0.9
158.09659	1.5
159.06787	4.4
159.08073	2.5
160.07600	21.3
160.11191	1.3
161.05995	4.2
161.08337	1.2
161.09595	1.6
162.09128	1.0
164.07092	1.0
169.06450	0.8
171.08018	1.5
172.07581	2.1
173.09587	1.0
174.09088	1.9
176.07135	1.0
176.10664	5.1
178.08632	4.0
181.10083	0.8
184.07518	1.1
185.05968	1.0
186.09152	3.2
187.07550	1.2
187.11253	1.0
188.07092	6.7
188.10750	3.3
189.09305	0.8
189.11205	2.7
190.08633	0.8
192.06563	1.0
192.10225	0.9
198.09203	1.2
200.10719	0.8
201.12697	0.8
202.08606	2.2
204.06581	1.6
204.10275	3.6
205.08701	0.7
208.09711	1.0
209.06871	0.9
214.08627	1.1
222.07614	2.3
222.11295	2.2
223.13293	1.0
224.05554	1.1
229.09796	0.8
230.08124	1.2
232.09700	10.6
235.08307	1.4
241.14397	0.8
250.10776	56.0
294.15021	0.9
304.11826	0.8
312.16113	1.4
338.17505	1.9
340.19217	0.9
356.18573	2.4
366.16953	3.1
374.19684	8.7
384.18115	8.1
402.19083	59.1
403.18851	1.3
420.20135	100.0
421.20438	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	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
57.03192	1.8
57.03439	19.9
59.04996	2.9
60.04510	2.5
68.05025	1.5
69.03429	71.3
70.06591	6.6
71.01348	1.5
72.08131	3.3
73.02919	2.3
79.05492	2.4
81.03401	2.9
84.08139	13.4
85.02908	49.7
86.06069	3.7
86.09682	5.8
86.57893	1.3
87.03936	2.3
87.04470	47.8
91.05481	100.0
94.20740	1.4
97.02894	73.7
98.06038	4.8
99.04459	3.0
101.02375	1.9
105.07024	5.2
107.04944	7.4
109.02888	2.6
110.07090	1.6
114.05516	1.7
115.03934	89.1
117.05521	2.3
121.02848	1.3
123.04498	1.6
127.03908	7.2
129.07016	2.1
129.10275	9.0
133.04968	93.4
133.06551	3.8
145.04962	10.3
145.06569	2.1
145.55554	1.4
150.07617	15.0
154.28587	1.3
161.04454	3.9
163.06067	1.8
169.18558	1.4
175.07538	1.4
217.08672	3.0
223.09650	10.3
228.95419	1.6
235.09616	2.9
241.07060	4.4
253.10701	5.5
259.08154	4.9
277.09210	4.2
295.10196	3.9
420.12949	2.1
420.19809	1.6
433.12845	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01871	6.5
55.05504	2.4
56.05029	2.4
57.03443	16.0
58.06591	1.0
59.05011	1.0
60.04529	1.9
61.02653	1.1
61.02934	12.2
62.75816	0.9
65.03932	2.2
68.05023	5.8
69.03087	1.8
69.03436	23.8
69.07080	1.5
70.06600	18.6
71.01360	3.4
71.04992	1.8
72.08161	8.2
72.64163	1.0
73.02924	67.3
74.06087	2.0
79.05480	1.0
79.34327	0.9
81.03416	4.5
83.04992	1.2
84.04507	4.6
84.08152	18.5
85.02913	63.2
86.06084	9.0
86.09723	11.9
87.04473	3.8
87.10061	1.4
91.05489	100.0
92.05819	0.9
95.04987	1.9
96.04522	1.1
96.07384	1.0
97.02898	57.3
97.06570	1.0
98.06009	1.3
98.09712	1.8
99.04446	3.5
102.05562	1.7
103.03961	3.6
105.07040	4.8
107.04940	1.1
109.02889	5.0
110.07175	4.5
114.05536	1.9
115.03938	28.9
115.08696	1.1
116.07150	1.1
117.07061	2.4
119.05003	1.7
120.08124	3.4
121.02882	3.5
121.06515	2.9
122.03209	2.0
126.84374	1.0
127.03927	22.0
129.07030	3.0
129.10275	6.0
130.05031	1.3
131.08563	2.1
132.06613	1.3
133.04982	28.4
133.06473	7.0
136.07553	2.8
141.06958	1.5
145.04982	30.2
145.06465	3.1
147.04451	2.7
147.08084	1.2
150.07646	3.8
157.06520	2.9
159.08063	1.3
161.04468	2.8
163.06024	14.6
171.08078	1.0
175.07600	2.9
187.07516	1.8
187.10927	1.3
193.04968	1.9
193.12279	2.0
205.06953	1.3
205.08636	3.9
217.06886	1.5
217.08704	2.5
223.04193	1.1
223.05957	6.0
223.13310	1.6
224.10049	2.3
235.09653	2.1
241.07153	6.3
242.62186	1.1
253.07500	1.0
253.10718	4.3
259.08148	7.7
277.09161	3.3
295.10132	5.3
403.18637	1.3
420.12637	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	419.352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21025	0.4
55.01863	0.9
57.07064	0.7
59.86248	0.4
69.25231	1.0
69.25644	2.8
71.08635	0.7
99.00802	0.8
99.04449	3.7
111.04428	3.0
125.05083	0.6
125.05997	10.4
141.05466	4.9
153.05473	100.0
154.05791	0.7
167.07132	0.7
199.79179	0.4
246.10452	0.4
399.65442	0.4
419.35202	40.4
420.35342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01875	6.8
55.05495	1.1
56.05030	3.1
57.03440	14.7
58.18831	0.8
59.05001	1.3
60.04513	0.9
61.02929	12.4
65.03949	2.2
67.05468	0.9
68.05027	3.9
69.03432	26.0
69.46890	2.8
69.47320	3.3
70.06596	10.2
71.01350	3.2
71.04976	1.2
72.08154	3.8
73.02921	65.4
74.06081	1.2
78.73507	0.7
81.03416	4.1
84.04506	3.7
84.08154	10.7
85.02910	56.1
86.06076	6.2
86.09709	6.4
87.04481	3.7
91.03951	2.5
91.05485	100.0
93.07014	1.1
95.04961	1.3
96.04494	1.6
97.02897	54.7
98.07191	1.1
98.09774	1.1
98.97560	0.8
99.04448	2.4
99.44039	0.9
103.03950	3.7
105.07043	6.0
109.02894	5.7
110.07178	1.7
112.08698	1.1
114.05547	1.8
115.01535	0.8
115.03939	25.4
116.18809	0.9
117.07018	1.8
119.08488	0.9
120.08110	2.7
121.02870	3.4
121.06517	2.9
122.03252	1.2
127.03921	20.5
128.06267	1.1
129.05513	0.9
129.07011	4.1
129.10231	4.5
131.08572	1.8
133.04974	27.4
133.06464	6.2
136.07597	1.4
143.03436	1.2
143.08522	1.0
145.04967	27.2
145.06468	4.2
147.04419	0.9
150.07608	4.4
157.06491	3.4
159.08055	1.6
161.04433	2.8
163.06020	13.0
171.08055	1.3
175.07596	2.4
180.08614	1.0
187.07533	2.0
193.04985	1.7
199.05974	1.2
205.08669	4.3
206.05200	0.8
217.06877	1.0
217.08672	2.5
223.05974	5.4
223.09488	1.2
224.10046	1.4
235.09731	2.5
241.07144	6.2
253.10735	3.1
259.08182	8.6
271.11856	1.4
277.09247	2.9
288.14413	1.2
291.06030	1.0
295.10345	4.8
420.12735	2.1
420.21042	1.3
421.20099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2641
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.05511	4.8
66.05894	3.3
67.05486	2.8
69.07066	7.8
70.06565	3.9
70.71314	7.5
71.04994	11.5
73.57970	3.1
79.05493	20.6
81.07060	81.0
83.08611	4.4
85.02901	4.9
85.06577	2.7
88.42234	2.9
91.05467	6.2
93.07037	26.4
95.08601	17.0
99.08083	5.0
105.07034	16.9
107.08601	42.0
109.06529	2.9
109.10161	22.0
119.08605	28.4
121.10147	5.0
122.29619	3.0
123.11720	17.7
125.09643	6.1
127.11193	10.0
133.10127	23.7
135.11700	100.0
137.13297	4.5
143.10667	20.5
147.11665	14.7
149.13292	5.1
151.56383	2.7
153.12807	3.8
161.13254	18.4
163.14835	5.2
203.17973	44.3
213.98337	3.6
221.19043	65.1
239.20007	9.3
251.99712	3.1
376.15170	3.2
419.17947	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	419.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41520	2.4
53.03943	3.9
55.01861	3.4
55.05507	12.8
55.53696	2.8
56.05030	3.5
57.03453	3.2
57.07085	3.9
65.03934	3.6
67.05508	9.6
68.05025	4.9
69.03439	3.9
69.07073	11.2
70.06599	16.3
71.04985	19.2
71.51529	5.9
72.08149	3.3
76.80235	2.9
79.05493	26.7
81.03422	5.4
81.07064	84.2
83.04970	2.8
83.08623	7.4
84.08165	15.5
85.02914	16.4
85.08484	3.2
85.35963	3.2
86.06050	8.5
86.09715	7.9
90.28284	3.1
91.05504	17.5
93.07066	37.3
95.08627	32.8
97.02879	3.5
97.06538	6.6
98.09711	5.4
99.08115	4.1
101.38390	3.0
103.48428	3.1
105.07043	34.1
106.05005	3.0
107.04990	3.8
107.08613	48.9
109.02881	7.3
109.06538	4.0
109.10168	35.1
119.04953	4.8
119.08603	60.7
120.08081	5.3
121.06497	4.3
121.10165	15.6
123.08100	6.0
123.11710	19.1
125.09668	5.7
127.11230	21.9
129.10258	5.5
131.08565	6.2
133.06482	3.5
133.10141	35.9
135.08110	4.6
135.11713	100.0
136.07619	4.2
137.13268	7.9
143.10681	12.3
145.10110	8.3
147.11722	28.3
149.13342	3.2
153.12769	7.7
159.11710	3.6
161.13261	10.1
163.11151	3.6
178.05035	3.1
203.17970	47.9
221.19022	29.8
239.20155	3.8
263.13840	3.1
278.16989	3.5
287.05402	4.2
289.15973	3.6
355.12622	3.0
401.16922	4.6
419.18097	12.5
419.22681	5.0
420.20099	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02064	0.3
55.05504	1.4
55.66333	0.4
56.05033	1.0
56.57515	0.4
57.05796	0.5
58.06586	0.5
59.52387	0.4
60.04528	7.2
68.05047	0.8
69.07069	7.3
69.65244	1.9
70.02981	0.4
70.06601	2.8
72.08159	22.8
74.06084	1.5
84.04505	1.0
84.08151	1.6
86.06078	1.3
86.09710	100.0
87.05592	5.9
87.10028	0.5
88.04002	0.6
94.06541	0.7
96.08136	0.9
98.46412	0.4
101.07186	0.7
102.05562	0.5
107.04967	1.7
110.07154	0.9
111.05598	0.5
112.19522	0.4
114.09170	8.3
120.06562	2.1
129.10277	0.9
130.05040	0.8
136.07593	0.4
144.06654	0.5
148.48120	0.4
153.57765	0.3
159.11299	37.0
173.12878	1.3
185.16650	0.4
187.10796	27.2
199.07170	0.5
201.12434	0.7
209.08080	0.5
213.15994	0.4
215.13927	4.4
219.13483	0.6
233.14977	32.2
255.17059	3.1
300.19199	8.2
401.24133	1.0
419.24451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01878	0.5
55.05516	7.7
56.05046	1.9
56.96564	0.9
57.03435	0.7
57.05816	1.2
58.06600	0.4
58.73593	0.4
60.04532	2.7
60.05660	0.5
61.02925	1.2
67.05519	0.5
68.05030	1.1
69.03429	3.7
69.07072	1.2
69.83561	1.4
70.02955	0.4
70.06592	3.6
72.08160	100.0
73.02913	1.9
73.08479	0.5
74.06094	1.9
80.05032	1.1
81.03427	1.3
82.06596	0.9
83.04991	0.4
83.06097	0.5
84.04499	2.4
84.08154	5.3
85.01094	0.4
85.02912	8.1
85.08489	0.5
86.06081	2.7
86.09710	26.1
87.05601	0.7
88.04003	1.5
91.03979	0.5
91.05489	0.7
93.04498	0.4
95.04957	0.6
95.06106	0.4
96.04533	0.8
96.08114	0.5
97.02900	3.2
98.02416	0.5
98.06071	2.2
98.09718	0.7
98.97594	1.4
99.04446	0.8
100.07626	0.6
101.18397	0.4
102.05558	1.7
104.05273	0.4
105.35069	0.4
106.05054	0.6
109.02873	1.0
110.07204	1.5
110.09715	0.5
110.97594	0.9
112.08744	0.9
113.07174	0.5
116.98548	0.5
119.05016	0.9
121.06551	0.5
123.04511	0.4
124.07603	1.1
124.11142	0.4
127.03933	1.9
127.04835	0.3
127.08688	2.1
128.98601	0.8
129.10248	1.6
130.05020	1.0
131.08205	1.2
134.04532	0.5
134.06015	0.3
135.04581	0.4
136.07610	1.0
137.06015	0.7
138.05554	0.4
140.07050	0.6
141.06596	0.6
141.10248	1.0
142.08633	3.3
143.11803	0.9
144.95816	0.6
145.04999	1.7
147.04471	1.2
147.07695	0.7
148.06078	1.4
155.08203	0.6
158.01181	0.5
158.53952	0.6
158.97501	0.6
159.07713	0.9
159.11301	0.6
159.54718	0.6
163.03987	0.8
168.55240	0.7
169.09741	5.8
171.99141	0.7
173.12897	1.6
177.00745	0.6
182.03436	1.2
185.16507	0.9
187.09082	0.9
187.10796	16.2
187.14383	0.7
190.01990	6.9
190.52193	1.2
191.02005	3.8
191.03587	0.5
191.52116	0.7
192.01843	0.6
200.19119	0.4
201.12337	2.6
205.11853	13.6
207.09946	0.7
208.06163	0.5
213.16035	0.6
215.10286	13.6
216.10156	0.7
216.98096	0.6
217.10092	0.5
218.52760	0.4
219.01794	1.8
219.13498	0.6
229.11926	0.5
230.55997	0.6
231.56799	1.2
233.15114	0.5
234.99065	2.5
236.99168	1.3
237.02899	1.6
238.55547	0.6
239.54871	0.5
240.55388	0.5
254.15178	1.1
261.14481	2.3
268.16660	1.5
272.02286	0.6
272.15939	1.0
277.00116	0.6
280.09604	0.5
281.10220	1.6
286.17734	1.8
288.09219	1.8
288.59412	1.0
302.13406	0.7
314.17075	5.9
316.04202	1.2
318.04688	0.5
320.14514	0.9
324.92960	1.1
355.12939	0.6
371.12305	0.6
401.13339	1.4
401.20087	0.5
419.14078	8.1
419.20084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40345	3.7
53.03943	6.9
55.01866	4.3
55.05497	17.8
57.03420	4.7
57.07068	10.0
61.02895	5.6
67.05515	29.4
67.30759	3.5
68.05026	4.9
69.03426	11.0
69.07076	53.7
70.06585	16.8
70.96042	9.1
71.04994	10.9
72.08146	5.3
79.05498	28.4
81.03405	8.5
81.07056	77.1
83.04956	7.7
83.08597	10.3
84.04525	5.4
84.08138	15.2
85.02905	21.1
85.06533	9.3
86.06062	8.2
86.09710	9.2
91.05482	26.9
93.07043	67.6
95.04967	6.3
95.08607	100.0
97.02925	7.0
97.06541	44.6
97.10198	7.8
99.04422	7.3
99.08095	10.0
105.07030	58.8
107.08598	95.5
109.06500	14.4
109.10164	62.6
111.08057	5.0
117.06974	4.5
119.04930	5.0
119.08592	49.2
120.08132	4.2
121.06489	8.8
121.10158	70.4
122.06026	6.9
123.08064	7.7
123.11693	17.9
123.24966	3.8
125.09639	18.6
129.10219	5.3
131.08604	5.2
133.10149	43.8
135.11690	30.7
137.09676	8.7
137.13313	6.0
139.11176	26.2
145.10158	5.8
147.11697	59.1
149.13252	7.6
151.11227	12.5
152.57172	4.1
153.12767	4.7
155.10670	15.9
161.13284	29.8
163.14810	31.8
165.12758	23.3
175.14819	11.7
177.16383	97.0
181.15903	12.1
187.27074	4.1
191.18007	6.7
203.17940	74.7
212.75981	3.7
221.19011	62.0
239.20052	62.6
276.12219	5.3
339.97656	4.2
383.15338	5.6
418.18393	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	419.0978
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
57.03445	6.0
61.02932	1.8
68.37350	0.2
68.99800	0.5
69.03428	0.5
69.37462	1.9
70.06586	1.1
71.01369	0.3
73.02926	13.8
79.54336	0.2
84.04544	0.2
84.08156	0.7
85.02914	0.7
86.09706	0.3
97.02879	0.4
98.21459	0.6
99.18843	0.3
105.03424	0.3
107.04933	0.3
109.02878	0.3
110.07122	0.4
111.00841	0.6
115.03938	0.8
120.08085	0.7
121.02883	2.8
133.02844	0.5
133.05032	0.3
137.02379	0.8
140.88164	0.2
147.04378	0.5
153.01859	3.6
165.01830	1.5
183.02881	0.6
185.05949	0.5
213.05479	1.2
231.06514	0.7
241.04939	0.8
258.05304	0.9
287.05527	100.0
288.05835	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57346	0.8
55.05509	1.0
67.05494	2.4
69.31937	7.1
70.06590	3.1
72.08143	1.4
79.05502	1.0
81.07038	1.6
84.08135	2.1
89.03892	0.7
91.05477	1.3
93.07030	1.5
97.87480	0.7
105.07032	2.1
107.07344	1.4
109.10172	1.5
116.04972	2.4
119.08534	1.2
120.04461	0.9
121.06509	1.1
121.10068	0.8
122.09647	1.4
136.07661	1.0
144.04440	9.1
146.05904	1.0
150.09161	7.9
162.05562	3.9
172.03941	53.2
179.36652	0.9
204.06567	100.0
205.06929	1.1
247.12244	0.7
266.34927	0.8
341.14960	48.0
373.17557	6.8
382.20563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30672	0.6
53.03937	0.8
53.88103	0.6
55.01874	1.0
55.05508	1.0
56.05025	2.1
56.96559	2.6
60.04511	1.9
60.05659	1.0
67.05513	0.8
68.05020	2.0
69.03417	2.5
69.07060	1.2
70.06596	11.2
70.47626	2.1
70.62429	0.5
71.06924	1.0
72.08160	10.7
73.02915	1.2
74.06094	3.4
74.06438	0.6
79.05493	1.1
81.03406	0.9
82.06579	1.0
83.06114	1.3
84.04500	5.8
84.08147	12.4
85.02903	3.8
86.06084	4.3
86.09710	24.0
87.05591	1.3
87.10027	0.8
88.04008	0.8
91.05476	2.4
93.07050	1.7
94.06577	0.8
95.01294	0.8
95.04980	1.1
95.06105	0.7
96.04506	2.1
97.02891	2.7
98.09711	1.7
98.97581	4.3
101.07148	1.1
102.05513	0.7
103.05461	5.9
107.04941	2.0
110.06049	1.4
110.07195	4.5
110.97561	1.1
111.04422	1.0
112.08711	0.9
113.07138	1.2
113.54185	0.7
116.98613	1.8
119.04952	1.8
120.08111	100.0
121.06496	3.1
121.08456	1.4
122.06034	0.8
126.05459	1.0
127.08712	1.0
129.10237	6.6
130.05020	4.4
131.04956	2.7
133.06097	2.3
134.06012	0.6
135.04364	0.8
136.07588	1.5
138.05522	1.0
138.09119	1.1
139.03909	0.9
140.07021	1.5
141.06619	1.1
141.10217	0.8
145.04950	0.8
145.09731	1.1
147.04422	3.9
147.07635	6.8
148.07610	1.5
149.05948	3.1
152.07068	1.2
154.05014	1.8
155.08205	1.1
157.05034	0.6
157.13371	1.7
158.99658	0.6
159.07697	1.1
159.11424	0.7
162.05521	0.9
164.03458	0.8
164.07042	0.7
165.05496	0.8
166.08647	54.0
167.08911	0.9
167.15474	0.6
169.13544	0.8
173.09290	1.2
177.05484	1.0
185.12910	1.3
186.12447	1.2
187.10799	1.3
187.14490	1.3
200.10338	1.2
200.13997	1.5
203.10291	1.1
204.09885	0.7
205.11938	0.9
214.11853	1.2
215.10271	0.9
216.09883	1.3
218.11267	1.1
219.01733	3.2
230.55937	1.5
231.56731	0.7
234.10909	1.3
237.02882	3.0
246.14540	2.3
254.15015	1.5
260.16083	2.2
268.16537	1.1
286.17886	0.9
289.60510	0.7
293.56616	0.8
300.07584	1.1
315.63324	0.9
318.08777	1.1
324.92621	1.2
330.08258	1.0
353.19534	0.6
368.09689	0.9
382.11441	0.8
400.12131	4.1
400.21988	1.9
418.13272	14.5
418.25092	4.1
419.14359	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	417.279
Annotation	Machillene
Peak:m/z	Relative Intensity
53.03946	4.4
55.05495	10.3
57.03456	3.5
57.59100	2.3
57.74191	3.2
67.05511	22.3
69.07056	12.3
71.04994	6.6
79.05492	19.9
81.06649	4.1
81.07063	33.3
83.08623	6.8
85.06531	3.6
85.33859	3.0
91.05488	30.9
93.07053	37.4
95.04959	8.6
95.08595	36.2
105.07037	65.0
107.04975	3.0
107.08599	53.2
109.06520	94.1
109.10143	19.5
111.08083	8.1
116.77676	3.1
117.07030	11.8
119.04940	2.8
119.08589	76.0
119.09439	2.4
121.06493	7.0
121.10152	64.4
123.08067	10.0
123.11686	14.2
125.09629	3.7
128.06215	9.2
129.06999	10.4
130.07753	3.9
131.08575	41.4
133.10146	62.0
135.08096	16.5
135.11700	36.0
137.05969	5.0
137.09628	4.9
137.13222	3.1
141.06956	5.4
142.07774	20.9
143.08578	37.5
144.09355	4.0
145.10130	45.0
147.08040	17.1
147.11668	17.3
149.09608	13.6
149.13271	6.6
153.07065	3.6
155.08554	18.8
156.09355	10.5
157.10146	51.9
158.10791	4.1
159.08096	10.7
159.11679	21.6
161.09644	16.1
161.13235	5.2
163.11179	4.5
165.07062	3.9
166.07806	5.4
167.08585	8.6
168.09288	7.6
169.10144	26.2
170.10944	5.9
171.08061	3.4
171.11691	29.5
173.09656	14.4
173.13210	23.5
175.11168	9.2
175.14848	17.3
177.12862	3.9
179.08565	11.9
179.74951	2.5
180.09415	5.4
181.10101	17.6
182.10924	5.8
183.11668	23.7
185.09656	8.0
185.13234	16.7
187.11160	8.4
187.14796	21.3
189.12776	5.5
192.09337	5.2
193.10132	16.6
194.10941	8.9
195.11690	22.4
196.12430	4.9
197.09633	5.9
197.13319	16.5
199.11162	9.9
199.14882	10.2
201.09064	4.8
201.12709	4.2
201.16415	5.8
203.10699	9.9
205.10165	5.0
206.10925	7.0
207.11658	21.8
208.12355	5.4
209.13231	17.1
211.11259	6.5
211.14819	13.0
213.12793	8.5
213.16447	11.6
217.12239	3.8
218.10907	3.0
219.11758	9.2
220.12547	5.6
221.13266	13.8
222.13901	2.9
223.11276	4.0
223.14880	12.0
225.12735	8.8
225.16374	6.4
227.14365	6.2
229.10030	4.5
231.11665	5.8
231.17447	7.7
232.12527	4.2
233.13228	9.5
234.14072	4.8
235.14845	15.5
237.12825	6.8
237.16386	5.8
239.14355	7.6
239.17969	8.7
241.19577	7.2
244.12502	5.6
245.13365	6.3
246.13919	3.2
247.14897	7.7
249.12840	4.4
249.16339	6.2
251.14349	8.4
251.17963	6.3
253.15941	11.0
253.19414	3.1
257.13184	5.6
259.14832	10.8
261.16327	5.7
267.17593	3.9
271.14883	5.4
275.17984	5.1
277.15921	12.0
277.19302	4.7
279.17523	4.0
281.18985	7.3
285.16364	6.4
287.17761	3.8
293.18921	4.5
295.16800	6.3
297.22198	6.9
301.19443	6.5
303.17343	4.1
313.19400	4.2
314.34732	2.9
315.21063	4.5
331.24173	4.2
341.22571	7.3
343.20547	3.9
357.25793	7.9
359.23868	9.9
374.26205	4.4
375.26907	12.5
386.86377	3.0
389.28461	5.4
399.26773	28.0
417.27911	100.0
418.28110	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2638
Annotation	vibsanin B
Peak:m/z	Relative Intensity
52.35394	1.9
53.03948	2.5
55.05515	58.0
57.03431	2.6
57.07063	3.4
59.05008	1.9
62.92972	1.9
67.05510	31.5
69.07076	12.7
70.20189	5.0
70.20579	3.9
71.04982	2.8
73.05279	1.6
79.05495	18.3
81.07063	28.9
83.04986	65.6
83.08628	6.8
85.06548	9.8
88.55153	1.8
91.05494	19.7
93.07051	35.5
95.04979	4.7
95.08001	2.2
95.08610	45.1
97.02883	3.1
97.06537	9.3
97.10152	3.4
98.21426	3.0
101.05982	3.4
105.07043	44.2
106.30193	2.0
107.04925	5.7
107.08592	42.3
108.45457	1.9
109.06516	13.0
109.10153	34.4
111.04436	22.8
111.08092	12.8
117.07029	7.5
119.08583	69.5
121.06534	7.6
121.10143	27.7
123.08070	9.9
123.11690	16.4
125.06037	4.9
125.09628	2.7
129.07014	6.0
131.08572	15.0
131.73586	1.8
133.10135	45.8
135.08086	11.1
135.11697	19.5
137.06000	4.1
137.09622	17.7
139.07562	4.1
139.11180	3.9
142.07777	4.7
143.08592	11.2
145.10126	23.3
147.08061	6.6
147.11691	34.8
149.09651	5.1
149.13293	3.8
151.07462	3.0
151.11156	12.8
153.09160	3.2
155.08530	6.2
156.09387	2.5
157.10161	17.5
159.11708	27.3
161.09642	7.2
161.13242	14.4
163.11214	5.0
163.14844	14.0
165.12825	4.0
167.08568	2.5
168.09282	2.6
169.10118	6.4
171.11722	13.7
173.09723	3.0
173.13274	15.6
175.11168	3.7
175.14836	5.8
177.12726	2.7
179.10738	5.5
181.12247	3.3
182.10982	2.9
183.11723	12.6
185.09642	5.5
185.13280	8.2
187.11188	8.6
187.14832	11.7
189.16315	6.6
191.10739	4.4
191.14299	2.8
191.17964	2.4
193.12115	2.2
195.11708	5.6
197.09648	3.1
197.13251	11.0
199.11197	5.0
199.14832	7.1
201.12834	6.3
201.16418	7.5
203.10632	3.1
205.12253	6.4
205.15932	3.6
207.11816	2.2
207.13898	2.2
209.13368	3.5
211.11099	2.9
211.14839	5.7
213.16374	3.9
215.10683	5.8
215.14311	4.7
215.17841	3.3
217.12210	4.9
219.13835	3.1
225.12805	3.3
227.14302	2.5
229.12250	5.8
233.15309	2.7
237.16408	2.5
239.17995	7.9
243.13947	7.0
245.15392	3.9
253.15681	2.6
253.19531	7.8
257.15530	3.2
257.18988	11.1
271.20499	6.3
273.18668	3.1
275.20139	10.8
281.18988	12.2
289.21600	6.0
299.20062	57.0
317.21115	100.0
341.23080	2.4
399.32510	7.8
417.27280	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	417.2636
Annotation	vibsanin B
Peak:m/z	Relative Intensity
51.88623	1.9
53.03922	2.4
55.05274	2.9
55.05511	35.8
57.07063	3.8
65.03922	2.6
67.05504	35.7
69.07065	11.8
69.99001	9.5
71.04971	4.2
77.50225	1.8
79.05495	20.1
81.07060	31.8
83.04986	37.0
83.08624	7.7
85.06532	7.8
91.05482	27.4
93.07053	34.3
95.04961	2.9
95.08606	47.7
97.02894	5.7
97.06520	16.2
97.10152	3.0
101.06010	3.7
105.07037	44.7
107.04953	5.3
107.08601	43.8
108.80484	2.2
109.06523	6.8
109.10156	48.5
111.04434	24.9
111.08097	10.7
117.07017	11.7
119.08583	67.2
121.06510	7.7
121.10140	27.2
123.08078	10.8
123.11715	13.5
125.09627	4.6
129.07040	5.0
131.08539	14.7
133.06476	2.6
133.10130	46.1
135.08060	16.2
135.11708	15.7
137.06067	2.3
137.09624	20.6
137.13295	3.1
139.07515	7.1
139.11168	3.2
142.07744	3.6
143.08568	11.1
145.10118	29.6
147.08058	4.8
147.11694	38.0
149.09621	3.3
149.13274	5.8
151.07549	2.5
151.11188	13.9
153.09099	2.6
155.08566	5.2
156.09309	4.3
157.10103	17.7
159.08000	2.7
159.11697	25.4
161.09604	7.7
161.13242	17.1
163.07562	3.3
163.11186	3.0
163.14828	16.8
165.12827	2.9
168.09404	3.8
169.10109	8.5
170.04808	2.1
170.10858	3.4
171.11681	15.2
173.09589	5.3
173.13248	12.8
175.11177	5.2
175.14799	5.1
179.10696	5.1
181.10233	4.2
181.12280	3.0
182.10895	3.8
183.11737	10.6
185.09593	2.8
185.13257	10.4
187.11166	7.4
187.14810	9.8
189.16368	6.9
195.11688	4.5
197.13252	11.7
197.51456	2.5
199.11227	4.9
199.14822	8.6
201.12721	6.5
201.16364	6.4
203.10596	4.0
205.12274	7.6
205.15898	6.3
207.17529	2.2
209.13264	3.4
211.11256	4.3
211.14818	6.9
213.12727	2.9
213.16304	5.3
215.10689	3.3
215.14256	3.8
215.17918	2.4
217.12227	3.1
219.13750	5.1
225.12743	4.3
227.14247	2.9
227.50476	2.2
229.12241	4.8
229.19658	3.5
233.15285	3.3
237.16315	4.1
239.14326	4.0
239.17947	8.7
241.15887	3.8
243.13800	8.6
245.15459	2.7
253.19493	9.2
257.19043	10.2
263.17911	2.8
271.20584	8.1
273.18518	2.7
275.20093	10.4
281.18930	12.1
289.21539	4.7
299.20062	60.5
300.20758	2.2
317.21127	100.0
318.21310	2.4
387.29785	2.5
417.26779	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	416.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	0.9
67.05496	2.2
69.07059	0.9
69.26102	3.1
69.26535	2.0
79.05446	0.6
81.07079	0.8
85.10170	0.5
87.59374	0.5
93.06993	0.5
95.08604	4.6
105.07019	1.3
107.04939	3.9
111.04427	1.1
118.34713	0.6
119.08591	3.6
120.08912	2.1
122.07289	7.1
123.08067	10.3
124.08835	0.7
135.08020	2.1
137.05965	1.6
138.06760	1.6
145.10104	0.7
150.06766	17.5
151.07544	100.0
152.08340	6.9
163.07515	0.9
163.11186	1.0
164.08339	2.5
176.08356	1.1
177.09079	2.2
191.10672	16.0
287.20224	0.6
416.36484	61.5
417.36874	1.9
435.21155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.8
57.07064	1.0
58.83884	0.5
67.05505	2.6
69.03415	0.6
69.07059	0.7
69.37645	3.5
69.38055	1.3
76.15490	0.5
79.05503	1.0
81.07075	1.3
83.04990	0.6
83.08612	0.6
91.05487	0.6
93.07041	1.2
94.07742	0.5
95.08617	6.6
105.07065	1.3
107.04967	4.0
111.04463	0.9
119.08580	4.8
120.08914	2.7
121.06499	1.3
122.07302	6.6
123.08086	10.4
124.08858	0.9
135.08060	2.5
137.05997	2.4
138.06738	1.1
145.10168	0.9
150.06778	17.8
151.07555	100.0
152.08357	6.9
155.78514	0.5
163.07541	1.6
163.11124	1.3
164.08275	3.3
173.09666	1.0
176.08322	1.0
177.09119	2.2
178.09659	0.6
191.10683	16.0
205.12280	1.4
218.43065	0.5
233.29408	0.5
282.06992	0.5
293.14871	0.5
373.31226	0.8
416.36523	94.6
417.36780	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	417.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.05507	1.5
55.70163	0.4
56.05037	4.3
57.03426	1.0
58.06588	0.6
60.04526	1.2
67.05495	0.9
68.05037	2.1
69.03434	1.1
69.07072	5.5
70.02953	0.4
70.06597	15.1
70.83721	0.4
70.96036	0.9
71.04977	0.6
71.06931	1.0
72.08160	12.9
73.02918	0.6
73.56596	0.4
73.81132	0.4
74.06078	3.2
75.05611	2.4
75.58395	0.4
83.06084	0.5
84.04502	3.5
84.08152	10.9
85.02904	2.0
85.08488	0.5
86.06073	3.6
86.09711	100.0
87.05613	0.6
87.10049	1.4
88.04038	0.7
91.05468	1.0
93.04559	0.5
93.07059	0.6
95.04990	0.5
95.06125	0.5
96.08126	1.3
97.02894	0.8
97.25427	0.5
98.06097	0.8
98.09697	4.3
101.07143	0.7
102.05565	2.4
107.04930	0.7
107.08633	0.5
108.87681	0.4
109.10179	0.4
110.06066	0.7
110.07172	3.4
110.09695	0.5
111.07455	0.5
112.08749	1.1
113.07146	0.4
115.08652	0.6
116.07108	0.6
120.08118	3.3
121.02892	0.8
121.06535	0.5
126.05511	1.4
127.08712	0.6
129.10254	4.0
130.05070	0.8
130.06586	0.4
132.10214	2.6
133.04997	0.6
134.08134	0.5
136.06218	0.4
136.07594	1.7
138.06627	0.9
140.14368	1.5
143.11815	12.4
147.04422	1.2
148.04893	0.5
148.06079	0.8
152.10718	0.5
153.06645	0.7
155.08145	0.6
157.09753	0.8
157.13371	3.0
158.15350	0.6
159.07693	0.7
159.09201	0.9
171.11302	6.0
185.12894	2.2
187.07092	0.9
187.10756	0.6
187.14496	0.8
197.09164	2.3
197.10446	2.1
197.12881	1.1
201.12434	0.6
203.13928	2.3
214.13039	1.2
215.10336	1.4
215.13919	0.9
229.11896	0.7
229.15492	1.0
231.06512	1.1
231.17174	0.7
233.14897	1.5
239.17540	1.4
243.13480	0.8
245.13011	0.4
247.12897	14.6
255.16290	0.6
258.14331	0.6
261.14532	1.0
284.19672	2.9
286.13953	1.7
300.19193	1.4
304.14996	0.6
318.16019	0.5
319.68356	0.4
328.18799	0.7
334.16724	0.5
359.19656	2.0
376.22668	0.7
385.09164	1.7
398.28644	0.7
399.22342	0.6
417.11801	0.9
417.16760	0.8
417.23749	5.7
426.28067	1.0
440.57275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80591	1.0
55.01866	2.0
55.05512	2.7
56.48241	1.0
57.03433	3.1
58.06586	1.8
61.02925	1.3
67.05493	1.1
68.05020	4.9
69.03419	2.6
69.58092	6.0
70.06596	14.7
71.06905	1.2
72.08160	18.1
72.64311	1.0
73.02923	1.4
73.15059	1.0
74.06077	2.5
82.06658	1.1
84.04505	3.7
84.08146	16.3
85.02898	3.0
86.06075	9.8
86.09714	7.6
91.05452	1.9
96.04507	1.3
97.02896	2.2
101.07145	1.4
102.75659	1.1
105.07034	3.7
107.04916	1.4
109.51648	1.1
110.07187	3.2
110.09764	1.3
111.42618	1.0
115.03925	1.8
117.06980	1.7
117.10265	1.6
118.06543	16.6
121.06513	1.6
129.10268	7.1
130.05022	1.6
130.06509	1.8
132.08075	5.5
133.05052	1.6
136.07590	4.1
142.06454	1.8
143.07263	2.2
144.04343	1.3
144.08067	11.3
146.06015	57.8
147.04390	3.1
148.03938	1.2
148.07570	1.2
150.05574	1.5
152.07085	1.8
156.02696	1.0
159.09166	4.4
160.07704	1.1
162.05544	2.0
164.07051	1.5
170.06020	4.6
188.07069	100.0
192.06548	3.0
204.09703	1.7
205.09721	44.7
210.07620	1.8
221.74377	1.2
226.07103	2.4
228.13481	7.2
238.07227	4.0
327.20200	1.4
344.34241	1.3
368.09726	1.5
398.10986	3.5
416.15720	56.4
416.24664	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	416.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05514	0.4
56.05027	0.8
57.03438	0.4
57.05830	0.2
58.06596	0.6
58.10453	0.2
59.60770	0.2
60.04529	0.4
60.05645	0.3
60.75266	0.2
67.86775	0.2
68.05019	0.9
69.03426	0.3
69.07072	6.7
69.96825	1.1
70.06598	4.5
71.01340	0.2
71.06908	0.3
72.08160	2.9
73.02921	0.4
74.02454	1.2
74.06068	0.4
75.05606	2.4
83.88843	0.2
84.04499	1.3
84.08147	4.4
85.02892	0.8
86.06075	1.7
86.09710	100.0
87.05603	4.9
87.10041	0.6
88.04012	0.7
93.07030	0.3
98.09729	1.2
102.05566	0.4
110.07162	1.1
112.08743	0.3
113.07136	0.3
115.08679	0.3
116.03453	0.8
119.04845	0.2
120.08141	0.6
120.87251	0.3
126.09212	0.2
129.06761	0.3
129.10246	1.4
133.06097	18.8
136.07561	0.5
140.14377	0.6
141.10291	0.3
143.11806	8.8
169.06163	0.3
171.11284	6.9
171.12749	0.4
186.08835	0.7
202.29732	0.2
228.13618	0.3
229.11823	1.2
239.17564	2.9
240.13506	0.2
246.14520	7.9
256.20215	1.0
270.17084	1.0
284.19666	7.6
284.22751	0.3
285.15732	0.4
286.14111	0.3
303.16699	3.1
366.11887	0.4
393.67831	0.3
398.24149	0.7
399.22421	2.0
416.16196	0.5
416.25052	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	414.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.6
67.05501	7.9
69.07078	7.9
70.06573	4.6
71.08636	7.4
71.51886	6.1
73.32663	3.1
79.05500	13.0
81.03403	3.1
81.07063	14.0
85.06563	5.5
91.05491	9.3
93.07050	15.9
95.08636	15.9
97.51853	2.8
99.08089	7.1
105.07025	11.4
106.05062	4.4
107.08588	10.3
109.10162	6.5
119.08589	11.8
121.10158	11.7
121.38574	3.0
123.08153	5.3
124.10115	2.7
131.08592	5.1
133.10143	4.6
135.11688	10.7
151.11151	4.7
155.08632	3.4
165.12798	4.8
179.14345	30.3
277.21689	28.5
351.25333	100.0
414.27011	8.3
421.18604	3.2
429.20526	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	414.9538
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	5.9
71.50705	0.4
71.95260	1.8
74.91857	0.2
98.97588	83.9
99.97939	0.3
102.96879	0.3
116.98625	31.7
118.28216	0.2
126.58118	0.2
130.93298	0.6
134.99654	7.0
140.00203	0.7
152.48064	0.2
153.00673	0.3
172.94368	5.1
185.33986	0.3
190.95404	2.7
197.95207	0.8
214.95401	4.2
230.98586	0.3
232.96471	6.9
250.97540	2.2
256.96454	22.4
258.99677	0.9
260.99915	0.4
274.97513	100.0
275.97815	0.8
276.98026	0.3
277.00851	1.0
282.99973	0.5
288.90259	0.3
290.95316	0.3
292.98566	44.2
293.99008	0.4
297.99078	2.3
316.00183	0.9
316.99011	0.3
330.93219	0.4
339.53250	0.2
414.95425	6.9
432.96481	6.1
433.02280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82645	5.6
67.05494	18.1
69.07067	5.3
69.59789	14.6
69.60201	16.6
71.08631	11.1
79.05493	16.6
81.07044	22.4
83.08614	5.2
91.05464	20.5
93.07029	15.5
95.08603	16.3
98.21514	10.4
99.08103	7.6
105.07036	13.0
107.08594	15.6
109.10173	7.9
119.08579	67.6
121.10168	14.3
131.08546	6.4
133.10095	9.5
135.11684	16.2
143.08578	4.6
149.09657	6.3
151.11137	8.2
161.13222	7.8
179.14317	26.4
198.20186	5.3
277.21762	24.0
281.68329	5.2
351.25314	100.0
360.92529	4.8
414.26074	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	414.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
53.30660	1.1
55.05511	2.2
55.25465	1.2
56.05066	1.3
57.03452	1.4
59.04992	1.6
59.16563	1.1
67.05503	3.4
69.07043	2.1
70.06591	2.9
71.04984	1.3
72.08142	1.8
73.72078	1.2
79.05485	3.7
81.07065	2.0
85.02902	2.1
85.06563	1.5
88.53423	1.1
89.57191	1.3
91.05488	9.8
91.80502	1.1
93.07038	3.4
95.04958	2.2
95.08592	2.5
97.02898	2.2
97.32410	1.2
105.07037	5.1
107.08569	2.0
111.08043	1.4
119.07260	1.8
119.08565	1.7
131.08604	1.7
134.09660	100.0
151.07613	1.4
178.91177	1.2
185.07205	1.5
204.12129	2.0
204.13849	14.7
232.11018	2.5
232.13338	49.2
235.13332	2.5
255.15440	3.2
277.14481	3.1
345.21417	1.2
400.35016	1.5
414.21512	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	413.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37642	0.3
50.60953	0.2
55.05519	0.7
56.05034	1.2
58.06607	5.6
60.04531	0.7
60.05635	0.3
62.46827	0.3
65.56241	0.2
67.05509	0.8
68.05032	0.9
69.03433	1.1
69.07073	0.6
70.02953	0.4
70.06598	17.1
71.04998	0.6
71.51974	0.3
72.08156	2.3
73.06531	0.2
74.06081	0.7
74.49594	0.3
74.82747	0.3
79.05499	0.5
81.07062	0.5
83.06146	0.3
84.04510	1.3
84.08151	66.8
85.02914	1.1
85.08456	0.6
86.06060	1.0
86.09716	4.0
87.04467	0.3
91.05478	0.5
93.07055	0.6
94.06593	0.5
97.02902	0.3
98.06078	0.7
98.07193	0.3
98.09713	1.7
100.07623	4.5
102.05526	0.4
105.07026	0.5
110.06063	1.9
110.07207	1.1
110.09723	1.0
112.08787	0.5
116.07092	0.4
119.04913	0.3
119.08601	0.4
120.08129	1.1
120.73289	0.3
121.06522	0.4
122.06047	0.4
122.09677	4.4
124.07607	0.9
124.11195	0.3
126.02924	0.3
127.12328	19.3
128.07060	0.3
128.10721	0.3
129.10269	1.7
130.08647	3.8
131.08603	0.4
134.09663	0.4
136.07573	1.0
140.14368	0.9
142.08650	11.4
142.09744	0.6
146.54453	0.3
147.04376	0.4
148.11215	3.3
150.09152	9.7
150.10364	0.6
150.12761	0.4
152.10707	1.0
155.08115	0.3
157.09731	0.5
162.12926	0.4
169.13403	0.6
170.11780	33.7
173.12830	0.3
175.10123	0.4
177.69380	0.3
178.12292	3.6
187.10951	0.8
187.14436	27.5
188.14490	0.4
190.12285	12.3
190.15874	1.5
207.18604	0.6
215.14101	0.3
233.16504	53.5
234.16878	1.0
251.17531	0.8
298.17688	0.4
356.24240	1.8
357.07114	0.3
368.24542	1.8
396.22266	0.7
396.27451	9.7
413.30130	100.0
414.26025	0.3
414.30554	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	413.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45441	0.2
54.85295	0.2
56.05017	0.4
62.90316	0.2
69.52231	1.8
70.06595	1.1
70.93934	0.2
72.08128	0.3
79.05488	0.4
84.08134	1.1
84.79885	0.3
86.09692	0.3
87.93281	0.2
91.32061	0.2
94.06554	0.3
98.06053	0.5
103.38923	0.2
105.07013	0.4
107.04945	0.3
110.06057	3.0
119.08552	0.3
122.06036	0.3
122.09671	8.1
124.07613	0.5
124.11209	0.8
129.10236	0.3
131.08618	0.4
134.09647	0.4
136.07584	0.4
136.11241	0.3
148.11208	5.2
150.09145	18.9
150.12732	0.5
159.28917	0.2
162.12785	0.5
175.09927	0.4
177.50317	0.2
178.12265	4.4
186.39134	0.3
188.14368	0.3
190.12271	21.2
190.15871	2.4
191.12608	0.5
200.27431	0.2
204.13876	0.3
205.17003	0.5
207.18494	1.5
233.16487	100.0
234.16827	1.8
251.17526	2.2
298.66440	0.3
372.49335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.4
70.06589	1.1
70.65665	0.5
70.65997	0.4
73.73428	0.2
79.05489	0.3
82.06574	0.3
84.08128	1.0
86.09664	0.3
88.76596	0.2
91.05487	0.5
96.08106	0.3
96.61804	0.2
98.06059	0.8
105.07024	0.4
110.06048	3.3
119.08526	0.4
121.06546	0.3
122.06055	0.2
122.09680	8.5
124.07581	0.4
124.11237	0.5
131.08546	0.4
134.09628	0.5
136.07613	0.5
136.11255	0.3
138.12738	0.3
148.11224	5.4
150.09149	18.3
150.12766	0.8
151.09474	0.3
162.12764	0.5
164.14340	0.5
175.09956	0.6
178.12267	4.2
188.14371	0.5
190.12280	21.2
190.15889	2.7
192.88113	0.2
205.16962	0.6
207.18619	1.9
233.16496	100.0
234.16806	1.5
251.17606	2.1
361.63614	0.2
402.96213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.5
55.05503	6.2
57.07069	2.7
61.01155	18.7
62.38072	1.3
65.03944	1.3
67.05511	39.8
67.14806	1.3
69.07072	11.3
71.08623	2.3
71.51759	1.5
72.04523	46.3
78.03365	2.1
78.03801	34.2
79.05499	7.2
81.07063	37.0
83.08619	5.0
91.05488	8.2
93.07047	12.4
95.08615	25.0
97.10160	2.7
102.03104	2.7
102.03775	54.2
103.02147	3.7
105.07055	4.4
107.08586	5.2
109.10181	9.7
109.10810	1.6
111.08093	1.5
111.11771	1.3
114.03767	10.1
115.02104	2.0
119.08604	6.2
120.04807	6.8
121.10146	6.2
123.11717	5.9
125.64522	1.1
127.03901	1.4
131.06390	20.1
131.08568	2.1
132.04797	31.3
133.10132	4.7
135.11720	4.5
137.13312	2.0
145.10127	1.6
147.11700	3.1
149.07454	100.0
149.13246	2.5
158.38222	1.4
161.13391	1.8
173.13254	2.0
175.14876	2.3
187.14865	1.4
189.16536	1.6
205.15932	2.2
245.22685	2.2
263.23782	4.2
292.26321	9.1
299.23730	2.6
316.26428	5.2
317.24713	10.1
334.27432	67.6
393.28943	1.9
411.30408	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01893	0.9
55.05520	1.4
56.05049	1.4
57.03442	2.4
67.05512	1.9
69.03428	14.3
69.07066	1.2
70.06583	6.6
71.04994	6.6
71.52182	1.1
72.08175	1.1
74.06082	1.0
79.05484	4.5
81.03426	28.7
84.04514	1.4
84.08176	4.7
85.02910	50.6
85.48267	0.8
86.09712	4.4
91.05515	1.4
93.07024	1.2
95.04984	1.3
95.08614	1.4
97.02914	3.8
99.04462	28.2
102.17960	0.9
103.03948	46.4
103.05452	2.2
105.07042	42.3
107.08590	2.1
109.02890	22.8
110.07155	1.1
119.08551	1.5
120.08095	2.5
121.06494	1.6
127.03927	100.0
129.10263	1.3
133.06512	9.3
138.52422	0.9
145.04974	12.5
145.10054	1.1
149.09692	1.1
163.05910	0.9
187.06070	6.8
187.07571	1.3
189.16472	1.5
217.16016	1.2
253.07094	4.4
271.08139	2.7
411.19818	8.2
432.16446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.1
55.45330	1.0
57.07081	38.2
67.05502	2.5
68.89442	1.2
69.07072	3.0
69.31850	9.6
71.08636	24.3
73.06548	4.7
79.05507	1.4
81.07072	2.9
83.08620	2.5
85.10189	23.0
87.04469	3.0
89.06036	100.0
91.05484	3.3
93.07033	3.7
95.04954	4.0
95.08605	2.9
97.10182	2.8
99.11738	3.7
105.07034	7.3
106.07375	3.3
107.08598	2.7
113.13290	1.9
117.09151	1.6
118.12403	1.0
119.08563	4.6
120.08938	2.4
121.06470	2.3
123.08012	1.7
123.86040	1.0
130.08679	2.8
131.08522	2.0
132.08891	1.3
133.08607	50.8
133.10103	2.2
135.64008	1.0
145.10172	1.6
146.10455	2.0
147.11725	1.9
148.12044	1.3
151.09680	3.8
155.17929	3.0
157.10088	2.1
160.11925	1.4
160.82129	1.1
165.09076	1.5
175.11209	1.5
176.11488	1.3
177.11230	12.3
185.13225	1.1
199.20654	2.6
202.13017	1.4
221.13689	1.7
221.15559	1.9
222.15714	4.3
239.14890	31.5
239.17337	1.5
243.23271	8.1
287.25867	3.5
335.92230	1.2
393.26990	2.0
393.32135	39.1
410.27765	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	410.2688
Annotation	Laxiracemosin H
Peak:m/z	Relative Intensity
52.49091	0.6
53.03937	1.9
55.05512	1.4
56.05030	0.5
57.03439	0.6
59.76127	0.5
67.05502	1.0
67.85141	0.6
69.07076	0.6
70.06587	3.2
71.51764	0.6
71.52181	0.6
77.03936	0.7
79.05479	1.3
81.03398	0.6
81.07049	1.8
83.08624	0.6
84.04507	0.7
84.08140	1.6
86.09679	1.3
91.05486	10.0
92.05828	0.7
93.07047	18.0
95.04973	2.3
95.08618	1.6
97.02946	0.7
97.06475	0.7
103.05463	9.6
105.04520	1.9
105.07035	3.0
106.06539	1.2
107.08632	0.9
109.10135	0.8
110.07201	1.1
118.06533	3.3
120.08120	1.3
121.06509	76.5
129.10202	0.5
131.07306	1.7
131.08516	0.7
132.08063	1.3
133.06516	1.2
134.09697	0.6
137.05946	0.6
145.10143	0.7
146.09660	2.1
147.04526	1.2
149.02361	0.7
149.05995	2.0
159.07990	0.5
160.11235	1.9
172.11378	1.0
174.12746	1.3
187.40874	0.6
193.04993	0.7
203.17899	0.5
244.20683	2.5
272.20090	29.1
273.20245	0.6
280.15616	0.6
290.21167	28.2
291.21451	0.7
410.22330	3.9
410.26901	100.0
411.27249	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	410.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.9
55.05506	13.0
56.05042	11.1
57.03432	5.9
57.07064	2.5
58.06573	2.1
60.04512	3.2
61.01140	2.3
61.02921	5.3
67.05498	8.4
68.05035	2.0
69.03439	15.2
69.07059	10.1
69.22392	1.6
69.97417	5.9
70.00197	1.5
70.06598	39.2
71.04997	13.3
71.06898	2.1
72.08158	25.9
73.02914	2.9
74.06063	3.2
78.09171	1.4
79.05489	9.2
81.03423	5.2
81.06593	3.0
81.07055	40.3
82.06573	6.8
83.08623	18.3
84.04498	6.1
84.08144	100.0
84.67715	1.8
85.02906	77.1
85.06541	6.5
85.08463	3.4
86.09701	26.4
86.10183	2.0
91.03947	3.2
91.05476	5.8
92.05843	1.6
93.07052	11.3
95.06081	2.2
95.08611	45.6
97.02891	18.9
97.10175	4.0
98.09686	16.3
99.04463	5.0
99.08099	3.1
100.07603	2.4
102.05573	2.1
104.05325	4.8
105.07053	2.0
107.04923	1.7
107.08589	17.6
108.08079	2.0
109.02872	7.7
109.06519	2.9
109.10164	14.1
110.07162	5.3
111.08089	1.9
112.08707	2.4
113.09635	2.5
116.07078	1.9
119.04932	2.7
120.08131	8.4
121.02859	4.4
121.06464	2.5
121.10145	23.0
123.11713	8.8
125.09617	2.3
126.09179	11.8
127.03914	14.3
129.09380	1.8
129.10229	10.7
130.06555	1.8
130.08682	2.1
132.10155	1.7
133.03131	1.5
133.10184	1.8
135.11684	7.0
136.07571	7.2
137.13248	14.2
138.06682	1.8
139.14818	6.2
142.08606	3.0
144.10190	5.7
145.04965	28.1
150.05812	5.2
151.11217	2.4
163.05980	8.6
170.11775	4.0
171.12057	2.1
177.16391	65.2
187.14391	4.3
188.09288	1.9
188.14790	2.9
194.16148	1.9
195.17430	12.7
213.18495	58.8
229.17947	3.2
230.18304	4.7
249.93352	1.8
264.12036	1.6
295.05746	3.3
296.06403	3.7
298.07678	2.2
307.05911	3.1
308.06372	6.2
310.07758	2.9
322.07993	2.6
322.79172	1.7
325.06989	2.6
326.07428	14.2
335.08731	1.8
336.09503	4.7
338.07419	2.9
350.07474	2.5
364.08945	4.6
366.22754	27.0
375.23846	3.2
380.08478	2.4
384.05563	1.8
392.08475	15.6
392.21375	2.3
410.09531	29.5
410.17093	1.8
410.21677	30.4
410.27328	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3831
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
52.94805	1.3
53.03947	1.4
55.05515	9.7
57.07080	35.4
67.05509	18.3
69.07078	15.5
69.80247	2.9
69.80657	5.2
71.08638	23.2
79.05492	7.5
81.07063	68.2
83.08624	7.6
85.10188	14.3
85.65099	1.2
89.06021	2.9
91.05463	3.9
93.07057	17.2
95.08614	100.0
97.10160	4.9
99.11768	2.2
105.07025	10.2
107.08611	21.3
109.10160	32.1
111.11707	3.1
117.07016	1.5
119.08578	10.0
121.10144	17.9
123.11724	18.6
128.88921	1.3
131.79279	1.3
133.10133	10.9
135.11693	16.8
137.05975	1.6
137.09668	1.6
137.13268	62.0
145.10114	4.5
147.11703	7.6
149.06004	1.8
149.09526	1.7
149.13255	12.7
151.07567	12.8
151.14816	5.6
159.11653	4.3
161.13307	6.5
163.07588	3.8
163.14786	8.6
165.09116	11.2
165.16313	1.9
173.13225	4.9
175.14833	5.3
177.09099	8.0
177.16393	3.5
179.10612	3.5
179.18031	2.8
187.14789	2.5
189.16423	7.0
191.10661	3.3
191.17949	5.4
193.19559	2.9
195.12218	2.8
201.12842	1.7
201.16432	3.9
203.17950	7.7
205.12189	3.5
205.19478	3.5
215.17949	5.1
217.19614	7.5
229.19553	6.4
231.21080	5.8
233.15295	2.3
243.17369	1.6
243.21077	1.8
245.22758	2.1
247.16821	1.9
257.22620	6.9
259.24255	11.0
271.24240	9.6
285.25848	4.4
303.22916	1.5
347.02686	1.5
409.38354	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46211	2.1
53.03938	3.6
55.01875	15.8
55.05515	31.7
57.07081	52.0
67.05501	12.4
67.05801	2.2
69.07072	75.4
71.04977	3.1
71.08642	30.5
71.51907	3.0
71.52353	3.6
79.05482	7.4
81.07059	29.3
83.08618	39.6
84.21009	2.1
85.10187	17.0
85.18670	2.4
89.06010	4.5
91.05475	7.7
93.07054	20.5
95.04986	3.7
95.08610	39.5
97.06522	6.9
97.10175	35.7
105.07046	13.6
107.08596	22.7
109.02850	6.1
109.06512	7.1
109.10152	23.0
111.08072	2.6
111.11734	19.4
112.88230	2.6
113.05947	2.5
115.03940	3.5
117.06983	3.0
119.08588	14.8
121.06528	3.7
121.10136	13.5
123.08064	4.6
123.11704	12.6
125.02354	43.3
125.06020	5.3
125.13264	5.7
127.03927	35.2
131.08566	12.1
133.10104	8.5
135.08028	4.4
135.11688	9.1
137.09599	3.1
137.13277	6.9
139.03929	3.6
139.07549	12.6
139.14767	2.5
141.05457	4.6
143.03455	2.5
145.10110	10.1
147.11665	10.9
149.09596	12.8
149.13261	5.4
151.11162	3.8
151.14763	3.7
153.05402	2.7
159.11710	7.0
161.13260	6.3
163.11232	3.5
163.14755	3.3
165.09042	3.4
167.07114	3.6
169.08618	23.0
173.13271	3.7
175.11192	3.5
177.09113	25.3
177.12703	3.5
177.16364	4.9
179.10625	4.9
181.08655	4.0
183.10175	9.1
187.14899	4.4
187.17163	2.2
191.10692	2.7
191.17964	3.9
193.12216	2.4
195.10217	24.1
195.12016	4.8
197.11717	3.6
201.12599	3.3
201.16406	3.5
205.16005	2.5
209.11787	3.3
215.14366	3.1
217.19339	3.0
219.17476	2.7
223.13332	3.6
225.14880	3.2
229.15712	2.6
233.15207	3.0
237.14821	6.6
239.16463	4.1
251.16405	3.0
253.17972	3.1
265.17969	8.5
267.19562	3.6
279.19476	3.5
293.21198	3.8
295.22192	2.5
297.63135	2.3
303.30569	2.9
307.22589	3.9
317.28391	2.7
327.30289	2.8
345.31381	9.6
355.29807	7.6
373.31049	34.7
391.32080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.9
56.96471	2.5
57.06804	5.0
57.07079	100.0
67.05502	4.5
69.07079	14.0
70.64109	8.8
71.08633	77.2
72.56100	2.3
79.05486	7.6
81.07037	6.0
83.08639	6.2
84.56362	2.6
85.10188	41.0
89.06025	10.2
91.05480	2.6
93.07026	10.9
93.63288	2.5
95.08591	12.2
97.10131	4.1
99.11735	5.5
105.07009	10.4
107.08580	9.6
109.06541	2.9
109.10134	6.8
111.08086	3.1
113.13251	3.0
119.08562	9.6
121.06487	2.9
121.10150	4.6
131.08557	4.8
133.10123	7.0
135.08041	6.9
135.11690	3.5
137.05952	7.8
137.09641	5.7
145.10107	7.0
147.08005	3.4
147.11682	3.9
149.05991	7.2
149.09572	4.0
151.07530	43.6
151.11053	2.7
159.11671	4.7
163.07516	17.4
165.07843	2.5
165.09142	39.7
169.08675	3.2
172.11636	3.0
173.09692	5.5
177.09113	27.8
179.10663	14.2
181.08511	3.1
187.11224	3.4
191.10637	11.6
193.12236	6.8
195.10144	5.1
195.12183	4.3
196.12509	3.0
201.12755	5.0
205.12288	8.6
209.11868	3.2
212.84027	2.7
215.14278	5.0
219.13803	5.2
233.15358	7.3
237.14804	4.6
241.65977	2.7
247.16960	7.0
251.16476	2.7
251.87498	2.8
261.18582	4.4
265.18027	3.6
293.21063	3.0
409.34192	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	409.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.5
55.01875	7.8
55.05274	1.0
55.05515	14.1
57.03439	4.2
57.07076	16.1
67.05504	3.3
67.21719	0.8
69.07070	29.5
71.03310	1.8
71.08636	12.4
79.05479	1.0
81.03417	9.5
81.07051	5.4
83.08154	1.6
83.08620	21.6
84.02875	0.9
85.10191	6.2
92.71976	0.9
93.07042	2.4
93.85587	1.1
95.08611	5.5
97.02901	1.0
97.10167	13.0
99.04425	1.1
105.06997	1.5
107.08593	1.7
109.02136	2.0
109.02884	40.0
109.10167	7.1
111.11723	6.2
115.03942	11.4
119.08593	1.3
121.06490	1.5
121.10146	1.3
123.04430	2.4
123.08068	1.5
123.11712	2.2
125.09669	0.9
125.13268	4.0
127.03921	100.0
133.10219	1.1
137.13205	1.0
139.14812	1.9
141.05479	6.9
145.10124	1.1
149.09647	1.2
149.13254	1.1
151.11215	1.1
153.05400	1.0
155.07030	2.6
168.06505	1.0
169.08615	5.8
183.10178	18.9
195.10202	4.7
195.11745	1.1
197.11696	7.8
204.19397	0.8
209.11746	3.3
211.13373	4.6
223.13303	2.9
225.14798	4.9
237.14857	3.5
239.16451	7.1
251.16409	4.1
253.17982	11.5
265.18149	6.9
267.19470	5.6
279.19562	4.8
281.21100	4.6
293.21149	3.5
295.22681	3.9
307.22635	4.2
309.24301	4.2
321.24341	2.8
323.25809	1.3
335.25787	3.7
391.32059	47.4
392.32230	1.3
409.33203	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37022	1.9
53.03942	4.0
55.05510	16.1
57.07066	8.8
58.66211	1.9
59.04984	5.1
62.97756	2.2
67.05509	24.9
69.03420	7.7
69.06728	2.1
69.07066	12.4
79.05494	24.7
79.24827	2.0
81.07059	35.7
83.04990	5.7
83.08612	3.8
85.06540	3.8
87.42873	2.3
91.05492	38.6
93.07047	50.9
95.04974	44.9
95.08607	36.6
97.06532	13.2
103.05462	3.3
105.07038	100.0
107.08584	27.2
109.06520	10.5
109.10168	25.0
111.08067	4.9
115.05463	6.8
117.07018	13.6
119.04948	2.2
119.08589	62.8
120.09386	3.0
121.06535	17.4
121.10146	18.3
123.08082	21.8
128.06201	6.4
129.06995	9.9
130.07787	6.3
131.08583	24.4
133.06487	3.6
133.10167	21.7
135.08076	15.2
135.11726	4.1
137.09618	7.5
141.07004	3.4
142.07805	17.2
143.08589	18.5
144.09325	5.3
145.06509	2.7
145.10124	43.3
147.08046	17.6
147.11685	29.8
149.09573	10.8
151.07561	24.1
153.09093	2.3
155.08578	7.1
156.09299	6.8
157.10159	26.5
158.10883	2.6
159.08047	9.1
159.11693	18.5
160.83182	2.6
161.09578	10.3
161.13315	6.2
163.11169	5.4
165.09125	31.8
167.08540	3.1
168.09354	6.1
169.10091	12.9
170.10939	3.1
171.11659	14.2
173.09634	3.7
173.13306	7.9
175.11192	23.0
177.09138	5.5
179.08551	3.4
179.14352	2.3
181.10185	8.3
181.12245	4.3
183.11693	15.1
185.09625	3.8
185.13307	6.1
187.11217	6.2
187.14854	3.8
189.12740	8.7
191.14267	4.0
193.10051	3.7
195.11710	5.1
196.12276	3.0
197.13333	5.1
199.11177	3.7
199.14883	4.4
201.12772	10.0
201.16374	2.5
203.14366	9.3
207.13835	8.0
209.13290	6.4
209.15302	3.9
211.14819	9.6
212.13748	2.2
213.12572	2.7
215.14211	2.9
219.13857	2.8
221.15366	72.0
223.14841	3.1
229.15895	5.6
233.15323	6.6
234.16217	9.7
241.15993	2.9
253.15872	3.2
258.02884	2.3
286.19272	4.8
287.20157	8.2
300.20734	3.4
313.21558	2.7
329.21078	4.7
376.13742	2.4
391.26343	7.3
409.27353	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03929	5.7
55.01861	2.2
55.05519	16.1
57.03410	1.9
57.07069	8.7
59.04989	4.5
61.38099	1.2
65.03926	3.3
67.05507	17.1
69.03430	7.6
69.07056	6.4
71.04995	1.5
79.05496	16.1
81.03384	1.7
81.06594	2.4
81.07054	32.3
83.04971	6.7
83.08578	2.3
85.06525	5.1
89.06030	2.3
91.05492	29.6
93.07043	42.4
95.04374	2.5
95.04968	45.9
95.08608	25.2
97.06534	4.8
98.09659	1.5
98.20731	3.3
103.05457	3.6
105.04527	2.3
105.07032	100.0
107.04948	1.8
107.08593	24.5
109.06519	10.3
109.10160	9.3
111.08092	1.9
115.05437	4.1
117.07040	13.6
119.04993	1.5
119.06065	1.4
119.08583	62.2
121.06503	16.4
121.10158	13.2
123.08089	13.9
123.11720	1.5
128.06216	5.3
129.06992	6.8
130.07776	5.8
131.08562	21.1
132.09302	1.7
133.06502	5.1
133.10126	20.4
135.08046	13.4
135.11699	3.1
137.09595	6.7
141.06963	4.0
142.07780	12.6
143.08556	18.0
144.09348	3.0
145.10130	35.1
147.08049	14.3
147.10515	2.6
147.11684	42.2
149.09615	10.4
151.07547	15.4
153.09102	2.8
155.03877	1.5
155.08524	6.9
156.09322	5.9
157.10155	20.3
159.08028	5.2
159.11734	13.0
161.09602	6.1
161.13234	4.2
163.11185	5.4
165.09135	27.1
167.08551	3.7
167.10674	1.7
168.09331	3.6
169.10144	10.0
170.10876	2.1
171.08022	2.2
171.11681	11.0
173.09633	5.0
173.13200	6.9
175.11185	33.4
177.09088	3.6
179.08566	1.7
181.10135	3.7
181.12202	2.3
182.10876	2.3
183.11687	10.5
185.13254	6.3
187.11148	4.4
187.14844	2.5
189.12730	5.6
193.10258	2.1
194.10994	2.1
195.11646	4.8
197.13341	3.7
199.11156	2.5
199.14809	2.2
201.12750	7.9
201.16493	2.5
203.14342	12.5
206.11018	1.7
207.11926	2.7
207.13806	9.2
209.13307	3.5
209.15251	2.9
210.13818	1.5
211.14833	5.8
213.12726	1.9
215.14172	3.0
215.52556	1.7
219.13792	5.7
221.13380	3.3
221.15356	63.6
223.14857	3.2
225.16386	2.4
229.15932	4.3
231.13829	2.9
233.13174	1.6
233.15332	4.1
234.16150	16.3
239.14464	2.2
239.17932	2.1
253.15868	2.1
263.17853	1.5
281.18906	2.6
286.19196	3.1
287.20142	7.7
299.20007	2.6
300.20886	6.0
329.21109	6.8
353.21173	2.8
391.26321	6.6
395.90576	1.6
409.27301	49.2
410.27542	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.2
54.38847	2.9
55.05510	15.4
57.07067	8.2
59.04992	3.5
65.03938	5.1
67.05515	26.0
69.03414	10.2
69.07072	6.8
79.05504	22.4
81.07061	39.5
83.04969	4.8
85.06524	4.4
91.05484	43.3
93.06502	2.8
93.07053	44.4
95.04971	46.8
95.08617	24.1
97.06545	8.0
98.20753	5.6
98.45438	2.9
103.05465	3.9
105.07041	100.0
107.08615	23.8
109.06512	10.8
109.10152	10.6
111.08131	2.4
115.05422	4.4
115.61488	2.6
117.07030	9.2
119.08591	64.5
121.06520	18.0
121.10137	16.2
123.08141	13.4
128.06227	4.9
129.07010	10.6
130.07774	4.0
130.29916	2.8
131.08569	22.2
133.06512	3.8
133.10158	13.2
135.08020	8.7
135.11681	4.8
137.09605	7.5
141.06973	5.2
142.07771	12.4
143.08580	16.7
144.09346	4.1
145.06502	4.3
145.10136	36.4
147.08067	14.7
147.11710	37.5
149.09627	8.7
151.07607	20.3
155.08554	10.5
156.09361	4.5
157.10162	18.8
159.08046	6.7
159.11662	13.6
161.09639	8.1
161.13220	3.5
163.11229	4.4
165.09131	26.2
168.09389	3.6
169.10152	7.0
171.11720	7.9
173.09639	5.5
173.13217	9.4
175.11205	34.8
177.09180	2.9
178.09972	3.1
181.10094	6.8
183.11670	7.7
185.09598	4.4
185.13274	5.9
187.11221	3.5
189.12804	6.0
195.11763	6.0
197.13214	8.5
199.11047	3.7
201.12726	9.0
203.14429	12.7
207.11853	3.3
207.13785	4.9
209.13260	6.4
209.15236	3.0
211.14746	4.5
213.12715	4.8
215.14319	3.2
219.13799	4.2
221.13776	2.8
221.15382	71.6
234.16168	22.0
253.15776	3.0
286.19257	3.4
287.19946	8.5
300.20874	5.8
329.21109	4.4
391.26321	8.3
409.27393	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62389	4.3
53.03938	8.0
55.01879	5.2
55.05526	23.3
56.57801	3.7
57.03409	7.1
57.07063	9.5
67.05511	28.5
69.03420	11.8
69.07061	10.0
71.04951	4.4
71.52209	6.4
79.05515	21.4
81.07056	39.8
83.04993	6.1
83.08599	7.6
86.09704	8.6
91.05479	35.4
93.07044	61.5
95.04977	52.6
95.08615	47.9
97.06526	17.6
105.06410	7.2
105.07044	100.0
107.08619	28.2
109.06519	14.6
109.10174	14.2
115.05471	5.3
117.07015	11.5
119.08590	79.7
121.06490	24.6
121.10148	25.3
123.08081	28.1
128.06213	5.0
129.06963	10.7
131.08583	22.1
133.06473	4.2
133.10146	21.0
135.08052	12.5
135.11674	9.3
137.09596	6.9
142.07764	15.2
143.08543	20.6
145.10147	40.4
147.08043	15.5
147.11679	32.4
149.09605	15.1
151.07594	22.4
154.09956	5.2
155.08504	7.5
156.09331	13.3
157.10117	25.1
159.11693	18.6
161.09592	11.9
161.13202	7.7
163.11192	6.2
165.09088	23.9
167.08533	6.2
169.10107	16.0
171.11697	15.7
173.09535	5.6
173.13208	11.4
174.10458	5.5
175.11186	20.2
183.11723	11.3
195.11723	7.6
197.13243	4.4
201.12778	10.1
203.14297	13.5
207.13780	11.7
209.13335	5.5
211.14828	11.0
215.14264	5.5
221.13387	6.2
221.15366	73.9
223.14854	4.8
225.16296	4.8
229.15868	5.6
233.15494	6.1
234.16066	10.2
277.19296	5.1
300.20642	6.2
329.21118	5.5
365.28033	5.2
391.26266	11.5
409.26669	61.0
410.27859	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	409.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.05510	1.0
56.05048	0.5
57.03427	0.4
58.06605	7.5
58.99593	0.3
60.03855	0.3
60.04523	1.3
63.21024	0.3
67.05520	0.8
69.03442	0.5
69.07078	0.5
69.33273	2.5
70.02946	0.3
70.06212	0.6
70.06595	11.7
71.05002	0.5
71.06937	0.4
72.08156	1.6
74.06097	0.4
74.70429	0.3
78.01828	0.3
79.05465	0.6
81.03406	0.3
81.07059	0.7
82.06593	0.9
82.07397	0.3
83.05001	0.3
83.08656	0.4
84.04502	1.5
84.08148	69.9
85.02892	0.7
85.04028	0.8
85.04838	0.5
85.08464	0.3
86.09708	6.3
86.99053	0.4
87.05623	0.5
91.05491	1.5
93.07056	0.5
95.04973	0.5
96.08157	0.5
98.09698	2.1
100.07613	5.4
102.05551	0.3
106.06573	1.0
107.04956	0.6
107.08639	0.4
110.07183	0.7
110.09686	1.6
112.07630	0.3
116.01692	1.0
117.07050	0.3
119.04973	1.3
120.08128	1.3
121.02885	2.9
124.07619	1.0
127.12323	17.3
128.10797	0.5
129.10251	1.8
130.05013	0.3
130.08643	4.2
136.06480	0.5
136.07581	5.7
140.14384	0.8
142.08638	16.3
144.01062	0.3
146.06027	0.9
147.04420	0.7
151.11212	1.0
152.10716	1.1
159.08376	0.4
160.08772	0.4
162.02213	1.2
163.02599	0.4
164.01817	0.4
166.08662	0.7
169.13380	0.8
170.11775	35.1
187.14420	24.8
188.07109	0.5
195.03018	0.5
203.03445	0.3
207.02795	0.3
217.04924	0.6
219.11525	0.3
233.09302	0.6
241.68716	0.3
250.11865	2.3
252.15880	0.7
261.10873	0.4
262.11252	1.3
263.11481	0.6
278.11414	0.9
294.05264	0.4
295.06064	1.2
307.06058	1.2
309.07239	0.4
321.07568	1.0
325.07068	2.6
329.14615	0.3
335.09201	1.1
337.07166	0.9
339.08414	0.4
345.07111	0.3
349.07211	0.8
352.21194	3.3
360.97137	0.3
363.08585	1.2
364.21161	6.0
391.08112	3.9
392.24335	9.3
409.09229	5.4
409.26981	100.0
410.27380	2.1
416.37360	0.3
421.27173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
56.05030	0.3
56.05461	0.2
58.06603	6.9
58.35314	0.2
60.04504	0.8
67.05517	0.4
69.07059	0.5
69.39207	1.7
70.06598	9.8
71.04967	0.4
72.08163	2.6
79.05482	0.4
81.07049	0.5
82.06564	0.6
83.05553	0.2
84.04504	0.6
84.08150	64.7
85.02879	0.4
85.08471	0.7
86.06067	0.2
86.09709	2.2
87.10026	0.3
93.07031	0.5
94.56989	0.2
95.05000	0.4
95.08600	0.3
96.08127	0.3
98.09701	0.9
98.20813	0.4
100.07622	5.6
106.06563	0.8
107.04971	0.3
107.08635	0.2
110.07159	0.4
110.09690	1.0
112.07628	0.4
114.09179	0.3
118.05457	0.2
120.08125	2.2
120.13374	0.2
121.06478	0.3
121.08469	0.5
124.07581	1.4
127.12330	17.6
128.07021	0.2
128.10738	0.4
129.10278	0.9
130.08644	4.0
133.10234	0.2
136.07596	1.0
142.08644	16.2
142.72983	0.2
146.06039	0.4
151.11179	1.2
152.10672	1.3
156.10190	0.3
159.11418	1.0
166.08742	0.6
169.13472	0.7
170.11774	34.9
171.12112	0.3
177.10255	0.3
181.57921	0.3
187.11000	0.7
187.14430	25.2
188.14906	0.3
223.10982	0.6
234.16936	0.4
239.75499	0.2
243.07988	0.3
244.13109	0.3
248.12856	0.3
251.10544	0.7
285.08926	0.3
287.05618	0.3
289.08591	0.3
313.08530	0.7
320.07880	0.2
331.09586	0.8
349.10782	0.9
352.21167	2.8
364.21207	5.5
377.10037	0.4
392.24332	9.2
409.19058	10.9
409.26984	100.0
410.27252	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	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.6
55.05516	1.0
60.95869	0.6
67.05499	3.3
67.90742	0.6
69.07073	1.1
70.06593	1.7
71.05000	0.9
71.51005	0.8
79.05492	2.0
81.07054	3.0
83.08682	0.8
84.08133	1.7
84.16414	0.6
89.56945	0.6
91.05469	2.3
93.07054	2.2
95.08603	2.9
105.07030	2.2
107.08617	1.4
109.06520	0.8
109.10131	1.4
116.44398	0.6
119.08616	1.3
121.06478	1.5
121.10175	1.1
122.58855	0.7
125.65031	0.8
127.97263	0.7
131.08594	1.1
133.10106	1.4
138.38304	0.7
145.10017	0.7
147.04398	0.6
147.11691	0.6
409.25632	100.0
410.26041	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
55.05523	6.2
56.05035	3.5
57.03441	1.2
58.06585	1.4
60.04534	19.9
63.13417	0.7
67.05509	2.2
69.03439	1.6
69.07072	3.0
70.02973	2.3
70.06596	20.5
70.67953	2.2
71.05002	2.0
72.08165	71.3
74.06074	2.1
79.05513	2.2
81.07053	3.0
81.54697	0.8
82.06570	1.0
83.04990	1.2
84.04514	5.3
84.08154	31.8
85.02904	3.7
85.04033	1.4
85.06536	1.5
86.09716	35.5
87.05602	16.5
87.10053	3.2
88.04000	1.5
91.05495	3.4
93.07046	2.4
94.06569	1.7
94.95397	0.8
95.08626	1.2
96.04503	0.9
96.08133	3.0
98.06083	1.2
98.09703	12.5
98.10284	1.3
98.97608	1.7
100.07636	1.5
102.05556	2.2
103.05489	1.7
105.07052	1.7
107.04995	1.4
107.08588	1.0
109.02864	0.8
109.06505	1.0
109.10161	1.9
110.06052	1.0
110.07175	3.1
110.09695	1.0
112.08697	0.8
114.09181	21.7
119.04955	2.6
119.08582	1.0
120.08122	56.3
121.02903	1.0
121.06513	1.3
121.08478	2.9
122.06038	1.1
124.07635	1.3
127.12324	3.1
129.05547	1.0
129.10274	7.6
130.04982	1.7
130.08661	2.8
130.10632	1.0
131.04959	1.1
134.06020	0.8
136.07591	9.5
137.09673	1.8
137.52917	0.8
138.09993	1.1
139.08707	0.8
140.14371	3.6
142.08658	4.8
143.11847	6.6
146.06018	1.2
147.04443	2.3
148.07594	1.8
149.06006	1.3
151.08698	0.9
152.07076	0.9
157.09845	0.8
159.11310	100.0
160.07649	1.2
163.08754	1.1
166.08661	28.4
170.11771	7.3
173.05833	0.9
177.10260	12.9
186.40005	0.8
187.10809	39.8
187.14406	6.4
188.07101	1.6
194.16241	1.9
199.10957	1.0
199.18143	1.2
200.18375	0.9
205.09784	2.1
214.08679	1.0
216.10219	1.7
220.91837	0.8
223.10812	43.6
224.11159	1.2
233.09392	1.7
234.16714	1.0
244.13004	7.6
250.11905	1.2
257.09369	1.0
285.08575	2.2
286.83649	0.8
287.05582	1.7
289.08298	1.1
295.06168	0.9
297.08578	0.9
303.09894	0.9
307.06027	0.9
313.08255	2.3
325.07153	3.0
330.70215	0.8
331.09283	2.6
332.15927	1.2
335.09213	1.5
337.07117	0.8
349.10455	1.7
363.08557	1.3
364.20987	1.3
377.13727	1.1
391.07904	3.0
391.19397	3.1
392.24377	2.0
409.09268	6.0
409.18411	22.8
409.27060	21.6
415.25473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.367
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05530	17.1
57.07068	10.8
58.80006	2.9
62.76713	2.4
67.05508	18.0
67.64130	2.4
69.07072	37.0
69.17671	5.0
69.18076	23.8
71.08643	5.3
71.89703	3.1
79.05485	7.7
81.07061	45.2
83.08615	30.4
83.27068	3.3
89.06040	7.9
91.05483	12.7
93.07047	19.3
94.06693	2.8
95.08611	46.7
97.10169	9.7
99.04475	14.0
105.07059	23.9
107.08600	33.0
109.10163	56.4
111.11745	7.6
119.08599	28.0
121.10154	28.9
123.11708	20.9
125.06007	10.3
131.08571	14.5
133.08618	3.4
133.10118	20.6
135.11691	23.1
137.13278	9.3
143.08525	4.7
145.10161	20.1
147.11699	21.7
149.13268	15.9
157.10135	11.4
159.11739	22.9
161.13251	22.4
163.14841	11.0
166.26707	2.6
169.10110	3.1
171.11743	11.1
173.13275	18.2
175.14857	15.5
177.16530	6.9
183.11682	3.2
183.91539	2.8
185.13322	9.9
187.14839	12.9
189.16426	9.9
199.14867	8.4
201.16336	10.8
213.16389	7.9
215.17888	7.1
217.19582	5.8
225.16641	3.0
227.18063	6.2
229.19566	6.2
231.21172	4.7
241.19554	5.4
243.21042	5.9
245.22758	5.4
255.21141	5.6
257.22672	7.4
269.22641	6.2
283.24332	5.1
297.25830	6.2
325.28949	4.9
337.29108	3.7
351.30615	7.8
389.34082	14.9
407.36786	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01871	1.3
55.05513	9.1
55.78498	0.9
56.05032	6.3
57.03430	2.6
57.05805	1.0
60.04522	1.6
60.05650	1.7
60.99181	1.0
62.06096	2.9
62.88472	0.9
67.05501	2.0
68.05026	2.5
69.03413	1.7
69.07082	7.0
70.02954	3.7
70.06593	48.2
71.04989	2.0
71.06924	1.8
71.51356	1.2
72.04517	1.4
72.08157	74.1
74.06080	4.7
76.02227	1.8
78.01791	2.8
79.05489	2.4
81.07050	3.5
82.06554	2.0
84.04511	12.3
84.08144	46.9
85.02921	5.5
85.04010	1.1
85.04831	1.8
85.08480	2.8
86.06078	1.1
86.09707	100.0
87.05595	7.7
87.10030	2.2
88.04003	3.3
90.05562	1.9
91.05469	4.8
93.07037	2.9
95.05006	1.2
95.06105	1.6
95.08586	1.3
96.04488	2.2
96.08146	4.9
97.02883	2.3
98.02428	8.0
98.09694	6.2
99.05577	2.9
99.10031	1.0
101.06051	1.2
102.05540	3.2
103.05458	2.2
106.04989	1.1
107.04989	1.9
108.04425	1.1
108.08124	1.3
109.02862	1.0
110.02402	3.6
110.07190	6.4
110.09703	2.0
112.07593	1.1
112.08721	3.6
112.11234	1.6
113.07156	1.1
113.10768	4.2
114.05540	1.0
115.03866	1.1
115.05060	1.6
115.08702	3.7
116.01722	1.2
116.03488	1.2
116.07080	1.6
118.01282	1.3
119.04938	3.4
119.08496	1.2
120.08106	59.9
121.02862	3.6
121.06551	1.4
121.08496	1.5
122.06010	1.4
123.04438	3.0
124.07578	2.0
127.03938	1.6
129.06589	1.0
129.10251	15.4
130.05028	5.2
130.06540	2.0
130.08641	5.0
136.07585	19.7
136.08594	1.8
138.09146	10.0
140.14380	1.6
141.10214	12.4
143.11792	2.0
144.08131	1.5
145.04980	1.4
145.65186	1.0
146.06010	4.0
147.04428	3.6
147.11301	3.3
148.07564	1.1
152.07072	1.5
155.11794	21.0
157.10626	1.2
158.15459	1.0
162.05565	1.3
162.09108	1.2
163.08687	7.5
164.01772	1.6
164.06995	1.1
165.05490	5.9
166.08615	2.8
169.05907	1.0
169.09819	1.1
170.09637	1.0
171.11327	1.9
174.05469	1.0
175.08676	1.0
177.10269	21.5
182.08063	6.2
182.12946	1.8
183.11296	16.7
187.10794	2.7
188.07199	2.7
198.12904	0.9
200.13947	79.3
201.12354	2.0
205.09744	22.1
205.11848	12.5
228.13440	27.0
233.16510	1.1
241.13013	2.3
243.11470	1.2
244.09703	2.6
245.10005	4.4
253.09613	1.1
258.15573	1.1
259.11353	1.1
259.14301	4.5
260.11478	2.6
260.19553	1.0
261.10895	4.3
262.10995	11.2
264.17563	1.0
271.10785	2.6
276.19595	1.5
295.16644	3.5
304.16489	4.7
305.15048	1.2
307.05945	1.6
309.07233	1.0
324.92969	1.7
325.06982	2.6
333.14539	2.3
338.20621	1.5
363.22943	1.4
373.14014	1.8
375.15656	2.3
384.74243	1.5
391.08093	2.0
391.15036	2.8
391.19507	4.1
392.18060	1.5
409.09238	3.4
409.15964	14.2
409.20490	5.4
409.25473	3.3
409.59311	1.3
409.92743	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.9
67.05492	1.8
70.06589	2.5
71.04940	0.5
83.55164	0.4
84.08146	36.3
85.02897	0.5
89.57756	0.4
93.48985	0.5
98.06080	0.6
98.09688	0.6
100.29918	0.6
102.62080	0.4
109.10161	1.3
119.70055	0.5
126.12799	28.6
129.10373	0.5
129.11411	0.4
144.13861	0.6
186.14900	100.0
221.73990	0.4
237.67369	0.5
241.12183	0.4
326.31540	0.4
348.17966	0.5
356.34595	0.5
364.24002	0.6
407.07205	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3521
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
55.05503	4.0
57.07067	7.2
65.03953	3.3
65.70715	1.4
67.05183	1.8
67.05511	24.6
69.07055	5.9
71.04990	2.5
71.08633	7.0
71.52858	1.8
81.07043	4.3
82.38799	1.3
82.58103	1.2
83.08607	5.5
85.10166	3.0
89.06012	1.7
93.07023	3.0
93.52361	1.2
95.04973	12.4
95.08598	5.6
97.10171	4.3
99.04456	8.8
100.30009	1.3
105.03367	1.8
105.07030	2.2
107.08582	2.1
109.10162	2.3
111.11718	2.4
113.06004	3.6
119.08602	2.0
123.04442	13.2
123.11755	1.5
125.06001	8.8
125.24560	1.7
131.08557	1.7
135.11766	1.7
139.07541	5.4
141.05469	100.0
149.13245	2.0
155.07086	1.6
163.14990	1.4
175.32605	1.4
188.03235	1.5
247.99301	1.5
329.32028	2.1
347.33066	3.3
388.86841	1.5
389.34271	7.4
407.35217	61.1
409.24673	1.2
413.16876	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.2
53.88781	0.8
54.83635	0.8
55.01866	3.7
55.05506	2.4
56.96553	0.8
57.07067	1.0
59.04992	1.3
65.03918	1.7
66.72183	0.8
67.05499	4.9
69.03428	6.8
69.07050	4.2
69.61909	3.4
69.62315	1.3
70.06602	4.8
71.04995	0.9
72.08154	1.6
77.03945	1.0
78.12247	0.9
79.05501	8.8
81.03423	2.4
81.07058	22.3
81.07527	1.4
83.04978	5.5
83.08623	3.1
84.04494	1.2
84.08134	2.8
85.02901	1.6
85.06541	1.8
91.04914	0.9
91.05484	25.1
93.07047	40.8
95.04979	19.1
95.08599	10.3
97.02893	3.1
97.06538	1.9
97.70692	0.7
99.08089	1.3
103.05483	8.1
105.04519	2.0
105.07034	10.7
107.01326	5.5
107.04955	3.7
107.08568	4.0
109.06507	2.0
109.10164	2.5
110.07239	1.1
111.08080	5.9
111.94044	0.9
117.07029	2.0
119.08549	3.9
120.08117	1.1
121.02840	9.2
121.06506	51.4
121.10141	3.9
123.08079	8.4
125.02356	2.5
125.05939	1.0
129.05475	2.8
129.07025	1.2
129.09125	3.3
131.08551	2.1
133.10138	2.7
135.08078	1.1
135.11699	4.7
135.56833	0.9
137.09587	1.9
139.07549	2.8
143.07077	1.7
143.08524	1.7
145.10138	1.8
147.11720	1.0
149.05986	100.0
149.13257	1.3
151.11162	4.1
154.07715	0.8
157.08636	3.2
157.10085	1.7
159.11697	3.4
161.09564	1.0
167.07039	18.3
167.10692	1.3
173.13100	1.1
177.12781	6.4
179.06937	1.1
183.10150	4.0
185.08115	2.3
195.13797	12.1
205.12280	1.9
207.11673	1.1
223.13252	4.3
232.91611	0.8
241.14351	48.6
261.09509	1.5
310.25305	5.6
359.16895	1.4
371.18375	1.0
389.19409	6.3
407.18832	15.1
407.24265	6.4
407.27924	1.3
407.35757	4.0
430.88422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2226
Annotation	Tuberostemoninol
Peak:m/z	Relative Intensity
53.03936	3.9
55.01876	7.2
55.05512	14.5
56.05049	2.7
56.88787	2.3
57.03440	4.3
67.05505	16.6
68.05025	2.6
69.03432	6.4
69.07072	8.2
70.06595	8.4
71.04993	6.9
72.08134	3.6
79.05498	16.3
80.05022	3.0
81.03417	9.4
81.07055	23.4
82.27579	2.1
83.05012	3.3
83.08636	9.8
84.08130	2.9
85.02917	2.9
86.09727	2.4
91.05470	14.2
93.07075	11.4
94.06584	3.0
95.04982	7.3
95.08606	11.1
96.04499	5.1
97.06541	21.6
97.10158	11.9
98.09695	6.3
105.07039	15.8
107.04948	4.3
107.08597	9.1
108.08154	2.0
109.06525	2.8
109.10178	5.1
111.08108	3.1
117.07067	5.1
119.05028	2.3
119.08621	5.1
120.08114	6.6
121.06507	10.1
121.10118	4.0
122.06042	6.9
123.04503	2.3
123.06858	2.7
123.08096	6.5
124.07627	3.3
125.09642	7.1
129.06955	3.2
131.08586	4.9
132.08113	5.3
133.06496	8.3
133.10175	5.7
134.06046	3.1
134.09669	3.5
135.08063	4.8
135.11682	2.7
136.07614	6.1
143.08522	2.7
144.08130	2.9
145.06512	3.9
145.10144	6.1
147.08032	4.5
147.11705	2.7
148.07515	2.2
150.09158	5.5
151.07550	4.5
157.10091	3.5
160.07588	3.9
162.09137	6.7
172.07675	2.2
173.09679	2.7
175.11143	3.1
177.12790	2.8
179.07024	2.3
186.09146	4.7
193.12260	6.8
195.08852	2.0
195.13817	5.1
195.53093	2.1
196.09691	15.1
196.13281	2.8
200.10698	2.9
208.06061	2.4
210.07619	2.5
211.13315	9.1
213.14827	19.0
214.12193	2.6
230.11792	2.1
246.11327	2.8
258.11273	44.3
276.16245	2.0
286.17947	2.3
308.14896	2.9
314.17575	5.4
324.19812	2.5
326.16016	2.2
332.18677	4.5
342.20807	11.6
352.19095	14.4
370.20166	100.0
388.21124	14.4
406.22330	37.8
406.26932	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	407.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	10.9
55.01875	9.8
55.05502	8.4
56.05046	6.8
61.02948	3.4
67.05513	18.0
69.03425	9.8
69.07075	15.5
70.06597	39.3
71.04990	11.1
71.51534	4.5
72.08176	17.5
76.11275	3.7
79.05513	18.4
81.03430	9.6
81.07067	26.6
83.04989	12.9
83.17005	3.9
84.04513	10.8
84.08151	36.3
85.02908	12.0
85.06561	12.7
86.09714	85.6
89.65617	3.1
91.05500	10.0
93.07055	37.8
94.02950	18.3
95.04996	9.1
95.08607	8.5
97.06548	11.8
98.09691	22.4
99.04480	13.4
105.07028	27.2
107.08602	51.9
108.08171	4.8
109.02905	6.9
109.06519	9.4
109.10177	4.2
110.07171	5.8
111.08088	5.3
113.06030	3.7
117.06995	4.2
119.08607	15.4
120.08117	37.3
121.06530	20.9
121.10168	40.8
123.08063	9.1
127.03932	10.5
127.07578	3.6
129.10236	14.9
130.05046	3.8
130.06537	4.7
132.79945	3.8
135.08124	8.1
135.11702	14.6
136.07565	5.1
139.11134	3.7
140.14384	7.3
143.11827	4.3
145.10150	31.5
146.06020	4.4
147.04436	5.8
149.09654	13.1
150.40616	3.8
151.07552	6.0
158.15430	6.7
163.03937	7.2
163.11206	73.8
164.11530	9.7
166.08676	6.6
167.10712	23.3
168.06490	4.6
169.08601	37.8
173.05861	3.8
173.07323	4.2
177.05609	4.6
178.05003	3.7
181.12227	25.4
182.08188	3.7
185.11803	12.8
191.08208	6.0
191.10631	48.0
191.12070	4.2
205.09897	3.7
209.11763	49.6
211.08441	4.2
222.04080	6.1
227.08290	5.4
227.12805	100.0
228.13321	4.7
229.13432	5.0
229.17871	15.4
241.09656	5.3
242.14851	6.5
251.08266	4.3
255.07793	3.4
256.06073	4.4
257.12918	5.0
269.09085	7.2
277.11972	5.8
279.16885	6.8
285.12491	5.1
297.08752	9.7
311.10422	6.4
315.09976	4.7
333.10754	6.2
339.09915	6.2
345.39188	3.7
347.20352	7.1
353.15857	8.1
357.10837	23.3
363.15381	5.7
371.12195	6.2
371.16708	6.9
375.11829	10.7
389.13165	22.4
389.21204	6.0
407.13779	9.8
407.22385	37.8
433.31418	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	406.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
54.13413	1.8
55.01865	6.1
55.05516	7.7
56.05033	4.4
57.03434	4.4
57.07085	2.2
60.04517	2.4
61.02925	2.2
67.05518	13.5
69.03432	9.2
69.07075	5.2
69.47914	12.3
70.06602	18.1
71.04998	6.6
72.08157	5.2
72.87424	1.8
78.21951	1.7
79.05492	16.2
81.03408	5.4
81.07060	15.7
83.04992	5.2
84.04490	5.8
84.08151	16.6
85.02899	17.4
85.06544	5.5
86.09721	13.7
88.03992	2.7
91.05495	12.6
93.07049	32.8
94.06591	2.5
95.04970	7.7
95.08608	7.1
97.02902	4.6
97.06541	6.4
98.06065	2.9
98.09701	7.4
98.20737	2.5
99.04471	19.4
101.05982	2.1
102.05514	2.0
103.05460	4.9
105.07030	70.9
107.05010	2.3
107.08601	74.5
108.04476	3.0
108.08189	1.8
109.02925	2.9
109.06523	7.0
109.10159	4.7
110.06047	4.5
110.07165	5.8
111.08103	2.2
113.06012	4.4
115.07565	2.2
117.07009	5.4
119.08603	24.8
120.08092	7.1
121.06507	23.0
121.10152	29.5
122.06044	7.5
122.09673	2.2
123.08063	5.2
127.03964	5.7
128.06282	2.0
129.06985	2.1
129.10226	3.1
130.04988	2.1
131.08583	6.4
133.06511	3.0
133.10098	3.3
135.08098	6.4
135.11716	18.8
136.06187	6.5
136.07613	4.0
137.09615	2.5
143.08577	5.2
145.05017	2.8
145.06483	2.5
145.09038	3.7
145.10121	33.8
147.04431	3.0
147.08096	3.3
147.11673	3.6
149.09637	5.6
150.09190	3.3
153.12799	2.0
157.10165	4.3
159.07947	2.7
161.09650	3.6
163.11191	100.0
167.08563	2.8
167.10699	1.9
171.07947	1.8
171.11731	1.9
172.07556	2.4
173.09680	9.1
176.10669	2.3
181.12253	49.7
185.09515	2.6
185.13200	2.2
191.10681	72.1
198.07597	2.0
209.11743	67.0
227.12791	96.8
232.09500	2.6
259.11102	3.2
277.20032	3.9
308.11237	9.0
332.14951	2.9
370.16150	2.5
370.20352	2.7
388.17001	2.8
388.21490	4.9
406.17889	20.9
406.22903	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	406.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
55.05505	1.8
56.05039	5.3
57.03434	4.2
58.99588	9.8
61.01144	0.8
68.05011	1.3
69.07059	1.4
69.39037	0.8
69.39448	2.6
70.02946	0.6
70.06587	1.1
73.01134	1.1
74.00655	1.9
76.02233	18.4
76.03994	2.4
79.05489	2.6
80.05012	1.1
81.06591	0.9
81.07061	17.3
83.06097	1.9
84.04509	24.7
84.08152	1.6
85.01138	4.1
86.00662	4.4
86.09724	1.0
86.99054	5.8
87.02703	5.2
88.02209	1.7
94.06551	0.5
94.16759	0.4
95.08599	2.6
95.27278	0.5
96.08126	0.9
97.01141	0.9
97.06519	1.3
98.09105	1.0
98.09692	11.8
99.05523	0.6
99.08090	4.5
102.05554	5.0
105.07019	1.0
110.09682	1.7
112.03980	3.2
113.04232	6.6
114.03755	0.9
115.05798	1.8
116.01678	19.4
120.08125	0.6
122.09676	1.4
123.08047	1.1
127.05760	1.0
129.06535	2.8
129.07405	0.6
130.04996	7.0
130.06871	3.4
130.08600	1.0
142.03233	1.8
143.02763	1.2
144.01161	8.9
145.06018	0.7
153.53110	0.6
156.08430	20.0
156.10210	10.3
157.06831	9.0
162.02208	19.9
170.02786	1.1
174.09500	11.9
179.04871	7.4
189.03323	1.5
210.11275	1.8
213.10503	0.5
216.06920	5.1
233.05887	1.5
242.08385	0.7
245.06024	1.2
259.11133	100.0
260.09442	1.6
260.11713	1.1
277.12131	1.9
285.12756	1.6
308.09283	0.9
313.12201	3.5
331.13315	5.1
388.15475	1.3
406.16492	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	405.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.0
55.01870	6.4
55.05516	37.6
56.96576	2.2
57.03440	2.5
59.05000	3.1
65.03938	4.0
67.05512	60.9
69.07073	37.4
70.06583	2.8
70.81596	3.1
70.81959	2.2
71.05000	7.3
72.08189	2.3
73.06565	2.1
79.05501	54.9
81.03423	4.1
81.07064	62.4
83.04965	8.8
83.08625	32.5
84.08165	2.4
85.02886	1.9
85.06544	5.1
85.69064	1.7
87.04432	1.7
91.05490	77.1
93.06479	3.8
93.07050	52.8
93.53899	1.7
95.04980	9.1
95.08616	47.1
96.67847	1.5
97.06546	10.5
97.10187	6.3
99.08075	3.8
103.05545	3.5
103.43978	1.9
105.04568	2.3
105.07038	66.7
107.04967	10.5
107.08598	33.3
109.06513	8.2
109.10162	14.6
111.08090	10.8
112.45033	1.6
115.05479	6.1
116.06259	3.4
117.07026	52.8
119.04988	4.8
119.08587	28.8
121.06537	10.3
121.10157	23.0
123.08070	7.0
123.11695	1.9
125.09643	5.9
127.07515	2.1
128.05435	2.1
128.06212	11.7
129.07016	54.0
129.85222	1.8
130.07817	2.9
131.08582	100.0
133.06519	6.1
133.10126	20.9
135.04407	1.7
135.08044	8.6
135.11710	8.7
137.09612	5.2
139.07535	2.3
139.11192	7.8
141.06978	14.9
141.09094	2.1
142.07787	6.6
143.08565	40.7
145.06477	10.7
145.10139	32.4
147.08070	7.8
147.11667	8.1
149.09647	9.3
149.13252	3.4
151.07451	2.3
151.11160	3.4
153.07021	3.0
154.07747	4.2
155.08562	34.9
157.10127	25.0
159.08084	5.7
159.11711	17.0
161.09653	5.3
161.13263	5.2
163.11192	5.7
165.06975	4.2
166.07791	2.1
167.08562	14.2
167.10690	2.7
168.09279	2.0
169.10153	14.6
171.08080	4.0
171.11687	14.4
173.09692	3.4
173.13300	3.5
175.09741	4.1
175.11208	4.9
175.14818	2.5
177.12744	5.7
179.08533	3.9
180.09422	2.0
181.10133	15.8
183.08067	3.3
183.11700	12.8
185.09662	2.6
185.13304	8.1
187.11171	3.7
187.14861	2.1
189.12759	3.1
192.09340	1.9
193.10197	4.9
195.11703	17.4
197.13263	7.8
199.11154	1.9
199.14896	4.6
203.12796	3.7
205.10301	2.2
205.12068	2.2
207.11754	5.6
207.13753	2.2
209.13245	11.9
211.11348	2.8
211.14856	7.1
213.12770	6.1
213.16362	4.0
215.14326	2.6
217.12424	2.4
219.11661	3.4
219.13765	3.0
221.13303	11.9
223.14876	20.8
223.74146	1.7
225.12759	4.7
225.16425	2.3
227.14250	5.0
233.13293	3.0
233.15405	18.3
235.14854	6.6
237.16385	3.8
239.14278	9.2
241.15892	6.3
245.15395	4.2
247.17004	4.2
253.15959	5.3
257.15424	10.5
259.16943	6.1
261.18646	2.6
271.16888	11.4
275.16559	4.7
285.18610	4.6
295.24005	2.5
314.46423	1.9
323.23730	8.3
333.22119	21.0
341.24750	12.8
351.23209	53.5
357.53589	1.7
359.25851	5.2
369.24298	42.1
387.25357	42.3
405.26474	25.5
406.35205	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	405.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70169	2.0
53.03974	2.3
54.72644	2.0
55.01861	10.7
55.05510	6.4
55.61752	2.3
57.03430	3.3
57.99691	2.1
64.43252	2.0
67.05515	14.1
69.03442	7.4
69.07075	14.9
69.74310	8.7
71.04998	6.2
79.05502	21.3
81.07062	31.7
83.05013	4.2
84.08141	2.3
85.06543	18.2
86.41177	1.8
91.05504	12.5
93.06488	4.1
93.07051	65.1
93.07645	3.7
95.04979	4.8
95.08616	8.0
97.02879	4.8
97.06535	16.7
98.21457	2.9
99.04482	11.8
101.06026	2.7
105.07034	43.4
105.07692	3.5
107.04968	2.5
107.08596	72.4
109.06512	21.9
111.08096	8.6
113.06023	7.2
115.03952	3.0
117.07036	5.8
119.08585	14.7
121.06517	30.5
121.10146	52.2
123.08108	8.6
125.02406	2.8
130.07802	4.0
131.08522	3.3
133.10249	1.9
135.08043	14.3
135.11671	18.6
139.11249	3.4
143.03403	2.5
143.08571	2.9
145.10130	40.0
146.10289	2.2
147.11720	2.4
149.09636	24.2
151.07578	8.7
163.11191	100.0
167.10678	36.0
169.08611	62.5
173.09627	7.5
181.12238	39.7
185.11765	18.4
187.08832	2.7
191.10683	89.2
192.11034	3.0
209.11736	58.9
227.12796	75.0
228.13159	4.7
235.24254	1.9
246.12262	1.9
281.20728	2.1
323.15079	2.4
327.14218	2.8
345.11151	2.2
369.15479	2.9
373.10260	2.3
387.16586	3.5
390.47821	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	405.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	24.0
57.03425	3.3
58.06598	12.8
60.04524	6.7
60.05635	1.9
67.05492	1.7
68.05016	3.5
69.03427	3.0
69.07050	1.4
70.02953	1.3
70.06605	8.6
71.51567	1.2
71.51985	1.6
72.08149	4.7
73.06554	1.6
74.06080	98.0
79.05465	1.7
80.04991	1.5
81.03386	1.4
81.07037	2.4
81.59094	1.2
82.06541	1.8
83.65353	1.2
84.04504	19.3
84.08144	36.0
85.02898	4.2
86.06058	5.5
86.09708	78.7
87.05582	3.0
87.64153	1.5
88.03972	2.0
90.05544	5.5
91.05473	3.6
94.06567	1.3
95.04976	1.2
96.04475	2.2
97.02905	1.8
98.06034	3.6
98.09702	2.5
101.07143	32.7
102.05532	4.8
109.02863	1.4
110.06007	1.4
110.07154	4.7
113.07128	2.1
114.05490	1.2
116.07068	1.9
119.04932	2.8
120.08120	1.8
124.11218	3.0
126.05513	4.4
126.09137	7.0
126.12782	3.8
129.10245	6.7
130.04987	2.1
131.08200	1.7
132.10207	2.9
133.05281	1.2
136.07564	4.9
142.11427	1.3
142.12292	13.5
143.11780	10.7
145.06296	1.5
145.09731	2.0
147.04404	3.4
148.07602	2.4
151.05931	1.3
152.10713	1.6
155.08064	1.6
157.06152	1.2
160.17058	1.7
169.06094	1.8
169.13373	1.7
171.07724	2.2
172.07481	1.3
173.09236	16.3
173.12820	4.0
176.07013	1.2
184.13261	1.5
187.14424	100.0
188.14806	2.1
189.08777	2.0
189.12381	2.8
190.08601	1.8
191.10269	77.2
194.08034	1.7
196.02191	1.2
201.08707	3.9
201.12370	1.8
203.06689	1.7
215.13914	39.9
217.08185	3.4
219.13530	1.3
226.14430	3.7
258.10907	1.8
270.18170	1.3
272.16162	1.4
274.10297	2.3
280.11700	4.1
286.17535	5.9
298.17545	1.7
304.08118	1.4
316.18707	9.9
322.09259	8.3
369.21216	2.0
387.15445	6.0
387.22452	20.3
398.87164	2.2
399.20700	2.1
404.54596	1.6
404.88055	5.8
405.16501	16.3
405.21017	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	405.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14778	0.3
55.01862	0.3
55.05503	1.1
56.05008	0.4
57.03440	0.3
65.03947	0.4
67.05501	1.4
68.04978	0.3
69.03410	0.6
69.07063	0.5
69.92663	1.1
70.06587	1.1
71.04957	0.3
72.08163	0.4
79.05500	1.8
80.05007	1.0
81.03404	0.5
81.05804	0.3
81.07066	1.5
82.06588	0.5
83.08612	0.5
84.08138	1.5
85.02893	0.3
85.06532	0.5
86.09707	0.5
91.05463	1.3
93.07046	1.6
94.06565	1.5
95.08601	1.0
97.02902	0.4
97.10164	0.3
98.09657	0.3
103.05449	0.5
105.07022	2.2
106.06540	1.3
107.07345	6.9
107.08561	1.0
108.04472	0.8
108.08125	2.8
109.06530	0.4
109.10117	0.4
117.06979	0.4
118.06454	0.3
119.04937	0.3
119.08627	0.6
120.08105	3.5
120.50414	0.3
121.06472	0.4
121.08907	1.0
121.10121	0.4
122.02485	0.3
122.06031	0.8
122.09673	9.8
123.04436	0.6
124.11226	0.4
127.03925	0.3
129.10251	0.6
131.08600	0.5
134.06073	0.4
135.04312	0.3
135.06810	2.2
136.03952	3.5
136.07588	1.7
138.09120	1.0
143.07298	0.3
143.08563	0.4
144.08102	0.4
145.10103	0.4
148.03928	0.4
148.07581	4.9
150.09143	100.0
151.09506	0.9
152.10706	1.3
154.05032	1.3
158.09695	0.8
160.07613	0.7
160.09932	1.0
164.25975	0.3
166.04953	0.3
170.09731	0.4
172.07591	1.1
172.11229	1.9
175.12265	1.6
176.10820	0.6
176.14363	0.3
178.05048	0.5
185.07051	0.4
186.05486	1.1
186.07782	0.6
186.09221	0.5
187.08701	0.4
187.12350	0.5
188.09390	1.4
198.09149	0.6
200.07043	1.3
200.10870	2.0
203.11812	4.2
206.04471	0.9
210.07622	0.9
213.06592	0.5
214.07336	2.7
215.08228	1.4
215.11833	1.8
216.10213	0.4
217.13353	1.2
222.04007	1.3
224.05563	1.1
225.10129	0.4
226.08817	0.6
227.08154	0.6
227.11775	0.3
228.08995	1.3
229.09744	1.3
235.11626	0.5
236.05504	1.4
238.07074	0.8
241.06038	0.7
243.11290	7.2
245.12929	1.8
246.14897	0.5
253.09633	0.6
256.08633	0.5
261.12341	6.4
271.10779	12.8
285.12347	0.7
289.08505	0.6
289.11835	17.5
313.11823	4.6
341.11331	22.3
342.11343	0.4
345.14468	1.2
355.12872	0.8
359.12512	0.4
373.13977	14.7
387.19452	1.3
405.16003	0.5
405.20703	1.1
405.24149	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.5
55.01884	6.5
55.05511	41.7
57.03432	20.4
61.02886	5.0
67.05503	75.3
69.07072	30.4
70.06588	15.3
71.04996	7.5
71.08640	29.1
71.52054	7.1
79.05482	46.2
80.19254	4.0
81.07059	84.8
83.04987	17.1
83.08620	17.0
84.08146	9.4
91.05485	41.6
93.07049	63.6
95.04974	17.5
95.08598	31.2
97.06528	13.8
97.10198	10.2
98.09749	4.8
99.08089	30.0
105.07021	33.1
107.08591	35.2
109.06520	9.1
109.10136	20.2
110.07182	5.3
111.08080	9.0
117.07036	19.8
119.05000	5.3
119.08591	15.1
120.08142	5.3
121.06526	12.8
121.10146	14.6
125.09599	14.1
129.06966	7.7
131.08557	12.2
133.10143	16.7
135.08003	8.9
135.11703	12.0
136.07570	14.2
145.10164	7.8
146.06027	8.0
147.11682	7.0
149.13319	22.5
151.11191	18.6
157.10110	5.6
159.11687	23.1
161.13330	13.6
163.11227	6.6
164.07114	5.1
171.11658	6.5
173.11742	16.1
177.12773	21.4
179.14316	8.7
189.11203	10.1
193.05058	4.5
195.13724	11.9
226.14357	6.2
227.12810	16.8
229.14406	14.4
253.18059	6.6
259.20602	13.5
269.17520	100.0
277.21631	19.6
328.19147	5.0
351.25339	40.3
358.23801	5.7
368.22836	7.1
386.23712	10.0
386.28949	6.3
404.24515	11.5
404.88626	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86606	5.8
55.05512	47.1
56.76979	6.7
57.03430	17.4
65.03947	8.6
67.05507	95.0
69.03418	10.6
69.07072	21.7
70.05506	30.9
70.06590	11.1
71.08636	29.3
79.05492	42.1
81.03405	8.1
81.07057	72.0
83.04980	15.6
83.08631	21.6
84.08154	13.9
85.06538	8.1
91.05493	52.3
93.07045	75.0
95.04955	11.4
95.08595	40.8
97.06510	12.6
97.10182	16.8
98.09743	6.5
99.08109	20.2
101.20072	8.3
105.07026	34.0
107.08601	27.3
109.06554	7.4
109.10186	34.8
117.06966	9.0
119.08604	22.9
121.06494	10.2
121.10132	23.9
123.11677	8.8
125.09675	14.5
129.07037	8.2
131.08582	15.3
133.10138	22.4
135.11688	7.2
143.08537	9.9
145.10133	12.2
147.08092	10.3
149.13269	25.1
151.11241	11.5
159.11653	15.1
161.13251	12.6
163.11166	14.7
164.07144	10.4
171.11661	8.9
173.11713	15.7
175.14836	10.9
177.12761	17.4
179.14374	9.1
195.13785	9.8
208.09697	21.9
227.12715	12.3
229.14383	17.2
239.98833	8.4
259.20642	11.2
269.17465	100.0
271.61014	7.4
277.21609	20.9
286.20157	9.3
351.25403	41.4
358.23944	17.5
386.23590	15.2
387.22079	9.1
404.20529	15.1
405.26227	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	404.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
55.01866	6.9
55.05511	27.1
57.03438	20.5
57.07043	2.7
67.05507	71.4
69.03419	4.2
69.07074	25.3
70.06581	2.7
70.16309	8.2
71.04987	6.4
71.08646	21.1
79.05496	46.8
81.03423	5.3
81.07058	71.8
83.04993	14.2
83.08623	14.3
83.55374	2.1
84.08144	2.9
85.06537	5.6
86.09717	3.4
86.85018	2.3
91.05480	36.2
93.07046	64.6
95.04980	17.0
95.08604	33.0
97.06535	13.2
97.10166	8.5
97.64397	2.3
99.08109	17.2
105.07017	22.1
107.08591	30.1
109.06514	6.6
109.10165	16.9
111.08090	4.3
113.09644	3.2
117.07011	14.1
119.08579	16.4
121.06499	6.9
121.10144	14.6
123.08064	3.3
123.11650	2.9
125.09605	6.6
129.07033	5.4
131.08554	12.1
133.10144	17.8
135.08047	3.8
135.11713	12.0
136.07564	3.6
139.11206	7.0
143.05066	3.0
143.08572	2.9
145.10133	8.1
147.11674	7.5
149.09528	3.0
149.13274	20.7
151.11253	15.0
153.09113	2.6
157.10107	2.7
159.11705	19.4
161.13231	11.0
163.11166	6.9
164.07040	2.7
165.12732	3.0
171.11719	3.7
173.11749	7.5
173.13226	2.9
175.14886	4.7
177.12727	18.2
179.14357	9.5
189.11279	2.8
195.13826	9.9
208.09628	4.2
219.94165	2.3
222.77058	2.5
227.12805	12.8
229.14368	17.8
231.21016	2.3
241.19539	4.8
245.13760	2.4
259.20612	12.5
269.17490	100.0
277.21625	17.3
302.00064	2.7
320.12686	2.5
348.87030	2.3
351.25278	41.1
386.15698	2.6
386.23709	4.8
404.20288	4.7
404.24741	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25908	0.5
53.03949	0.8
55.01883	0.7
55.05511	1.2
57.03436	1.4
57.07083	0.7
59.05000	0.6
61.02925	1.3
63.69782	0.5
65.03949	0.6
65.80489	0.5
67.05499	2.2
69.03442	2.8
69.07076	1.8
70.06586	1.1
71.04991	1.8
78.29086	0.5
79.05499	1.9
79.46484	0.5
81.03416	1.4
81.07073	3.9
81.99196	0.5
83.04987	1.2
84.04501	0.6
84.08118	1.8
85.02435	0.8
85.02918	7.9
86.09711	0.9
91.05486	2.2
93.07047	4.7
95.05007	0.9
95.08618	13.7
97.02879	2.1
99.04473	1.7
105.07047	9.5
107.04929	0.4
107.08615	4.6
109.02912	0.6
109.06518	1.3
109.10159	1.9
111.08099	0.9
117.06998	0.8
117.35974	0.5
119.08593	9.6
121.06507	1.4
121.10178	3.4
123.08085	13.3
123.11724	1.1
127.03891	0.7
131.08562	1.3
133.06520	4.5
133.10158	5.9
135.11710	17.3
137.09651	1.5
137.13245	1.5
143.08556	0.8
145.04967	1.3
145.10144	1.6
146.10825	0.6
147.08060	1.2
147.11720	6.1
149.09637	5.9
151.07573	5.0
151.11211	1.2
156.09375	1.9
159.11702	1.9
161.09653	2.6
161.13280	18.0
162.30359	0.6
163.11188	0.6
165.12730	0.8
171.11723	3.4
174.10376	1.3
179.14310	5.5
187.78198	0.6
189.09082	0.6
189.12773	17.8
207.13831	100.0
208.14200	0.9
225.11252	1.8
225.14890	26.6
229.09663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2064
Annotation	Vilmoridine
Peak:m/z	Relative Intensity
52.21317	0.6
53.03931	1.4
55.01861	2.4
55.05504	2.6
56.05027	1.2
67.05505	4.6
68.05032	1.2
69.03448	0.8
69.07055	2.1
70.06591	1.7
75.80735	0.7
79.05497	4.3
80.05049	0.7
80.06195	0.6
80.38561	0.6
81.03399	0.9
81.06739	0.5
81.07065	4.7
84.04519	0.7
84.08142	1.5
91.05481	5.2
93.07048	3.4
95.04917	0.9
95.08624	3.2
95.82583	0.7
96.04473	1.5
97.02897	0.8
97.10186	1.5
103.05471	1.3
105.07037	6.2
106.06577	0.9
107.04937	1.5
107.08591	1.7
108.04512	4.7
108.08070	0.6
109.05263	1.1
109.06511	0.7
109.10108	0.8
115.05469	1.5
117.05714	0.9
117.07040	3.0
119.04934	1.0
119.08604	3.0
120.08110	0.9
121.06530	1.3
121.10178	0.8
122.06042	2.4
129.07005	2.9
130.06520	1.3
131.04961	0.7
131.08549	3.5
132.04480	1.2
132.08055	1.1
133.05241	1.9
133.10143	1.0
134.06010	4.3
134.09731	0.9
136.07484	1.3
141.06961	1.6
143.08569	2.6
144.08102	1.3
145.06531	1.4
145.10120	1.4
146.06009	1.7
146.07133	0.7
147.04375	0.7
147.07971	1.1
147.11696	0.9
148.03935	1.8
148.07603	1.6
150.05518	2.4
153.06992	0.9
155.08542	1.9
155.77155	0.7
157.06522	1.2
157.10170	1.2
158.06012	1.0
158.09660	1.7
159.08026	1.1
159.11630	0.7
160.07542	5.5
162.05473	0.7
169.10127	0.8
170.09645	1.0
171.08083	0.9
171.11707	0.7
172.07591	4.2
173.05930	0.8
173.13275	1.3
174.05479	0.9
174.09157	0.8
176.07024	1.2
183.11705	2.1
184.07503	1.2
186.09125	2.0
192.06569	1.2
198.09100	0.9
201.12740	1.1
204.06555	16.1
206.29015	0.6
216.61281	0.7
222.07622	12.4
222.09656	1.0
230.08298	1.1
242.11620	0.7
244.09576	0.8
246.11481	0.9
248.09077	0.7
256.09830	1.2
296.16571	1.4
312.19678	0.7
336.62698	0.7
340.19128	0.9
346.24603	0.7
358.19943	0.8
368.18622	2.8
374.09601	2.9
386.19559	23.2
387.21533	1.5
404.14734	4.5
404.20673	100.0
405.21005	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	404.1707
Annotation	Oxostephamiersine
Peak:m/z	Relative Intensity
55.01860	0.9
55.05513	0.6
56.05036	0.8
57.03448	0.5
60.04520	0.4
67.05486	2.0
67.05803	0.4
69.03437	1.5
69.07043	0.7
70.06584	1.4
71.51827	0.7
77.35364	0.4
79.05495	3.6
80.05021	0.4
81.07068	4.4
83.04974	0.6
84.04465	0.5
84.08123	1.8
85.02939	1.1
86.09706	0.8
91.05491	4.3
93.07040	3.7
94.06596	0.9
94.12013	0.5
95.04946	1.7
95.08601	0.7
96.04472	0.6
97.02916	0.9
98.09689	0.8
103.05465	1.1
105.07043	5.3
106.06570	0.7
107.08591	1.8
108.08077	0.5
109.05252	2.3
110.06100	0.6
110.07206	0.5
115.03936	0.5
115.05462	0.9
117.07036	1.6
118.06521	0.9
119.04948	1.0
119.08593	1.3
120.08070	0.8
121.06521	0.9
122.06065	1.1
128.06201	0.5
129.07001	2.0
131.04900	0.6
131.08571	3.3
132.04401	0.7
132.08096	0.7
133.06447	1.1
133.10121	1.6
134.06018	1.6
135.04419	1.1
135.08008	0.4
136.07602	1.0
141.07022	0.7
143.08536	0.7
144.08087	0.9
146.06017	2.0
147.04454	0.5
147.08018	0.6
148.03937	0.7
148.07600	1.3
152.06989	0.7
153.06956	0.5
156.08073	0.5
157.06425	0.7
158.05984	0.9
159.06866	0.5
159.08076	1.7
160.07588	3.4
161.09679	0.5
162.09114	0.5
165.79167	0.5
167.07289	0.9
167.08508	1.0
169.05209	0.6
171.08121	0.5
171.11676	0.7
172.07588	1.5
172.11238	0.6
174.05521	1.2
174.09280	0.5
176.07072	0.7
177.07811	1.2
180.06664	0.6
184.07561	1.5
185.08284	0.5
186.09061	0.5
187.06239	0.9
188.07080	0.9
191.03381	0.6
192.06570	2.1
196.07649	0.8
198.09164	2.0
200.07132	0.5
200.10745	1.0
204.06534	0.6
210.09195	0.6
212.07114	0.8
212.10774	0.5
214.12334	0.6
216.06625	2.4
217.07336	3.3
218.08069	0.7
222.07596	4.2
223.08371	1.5
224.05496	0.7
226.08580	0.7
226.12248	0.6
226.14409	1.1
234.07680	1.1
242.08199	1.0
242.11798	0.7
246.07558	1.4
247.08417	16.3
247.10982	0.8
248.09149	0.8
260.09048	0.7
268.13290	0.6
272.09116	1.1
274.10754	1.0
284.12775	1.4
285.07507	1.4
286.10739	1.4
286.14081	0.7
288.08725	3.2
314.13879	2.6
318.09775	7.8
336.10840	4.8
341.54257	0.5
342.16962	0.5
356.14859	3.8
360.17987	0.6
363.08966	0.7
374.15897	1.6
375.29465	0.5
386.15945	5.5
386.20282	0.7
386.26929	1.2
404.17038	100.0
404.54556	0.7
405.17365	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1705
Annotation	Oxostephamiersine
Peak:m/z	Relative Intensity
53.03936	0.8
55.01862	1.3
55.05501	1.0
56.05023	0.4
57.03421	0.4
62.67815	0.4
63.37333	0.4
67.05487	1.4
69.03413	1.1
69.07047	0.7
70.02975	0.5
70.06586	1.2
70.62398	1.1
72.08154	0.4
73.02929	0.4
79.05502	3.7
80.05016	0.5
80.54366	0.4
81.07060	4.3
82.06548	0.5
83.04966	0.5
84.08141	1.3
85.02891	1.4
86.09698	0.8
86.52312	0.4
91.05489	4.9
93.07047	4.4
95.04967	0.9
95.08588	0.6
96.04493	0.9
97.06480	0.5
98.09727	1.9
99.85733	0.4
103.05469	1.1
105.07035	5.6
106.06543	0.7
107.04973	0.8
107.08586	1.2
108.04465	1.0
109.05227	1.9
109.06503	0.6
109.10143	0.6
110.06090	0.5
110.07180	0.6
111.08215	0.4
112.80685	0.5
115.05460	0.9
117.07011	1.3
118.06526	0.9
119.05001	0.5
119.08574	1.5
120.08096	0.9
121.06532	0.9
122.06049	1.3
123.04407	0.5
128.06181	0.6
129.06999	1.4
129.10240	0.7
130.06526	0.5
131.04944	0.6
131.08582	2.6
132.04427	0.6
132.08063	0.5
133.06520	0.5
133.10124	1.8
134.05968	1.8
135.04449	0.5
136.07588	0.8
143.08565	1.5
145.06490	0.9
146.06058	2.1
146.09612	0.6
147.08096	0.5
148.03932	0.5
148.07539	1.3
148.11174	0.4
150.05505	0.7
152.07082	0.9
153.06903	0.6
155.08551	0.8
156.08217	0.7
158.05997	0.5
158.09671	0.4
159.06853	0.9
159.08089	1.5
160.07570	3.6
161.09618	0.9
162.05547	0.8
162.09138	0.6
164.07054	0.5
170.09613	0.6
172.07545	1.1
174.05513	0.9
174.09137	1.0
176.07162	0.9
176.10707	0.7
177.07854	0.8
179.08499	0.5
180.07970	0.6
184.07587	1.1
185.08279	0.8
186.09184	0.6
187.06302	1.1
188.07127	0.7
192.06592	2.2
195.11720	0.4
196.11272	0.6
197.08286	0.5
198.09215	1.3
200.07095	0.6
200.10716	1.1
204.06424	0.4
210.09166	0.6
210.12886	0.5
212.10660	0.5
214.08607	0.8
214.12148	0.5
216.06606	1.6
217.07309	2.5
222.07605	4.2
222.09422	0.6
222.12675	0.5
223.08368	2.4
224.05426	0.6
226.08705	1.1
236.10902	0.5
242.08104	0.7
242.11752	0.5
244.09589	0.6
246.07748	2.4
247.08398	17.0
248.09138	0.6
250.12297	0.5
266.11902	0.4
272.09250	1.6
274.10742	0.9
284.12762	1.3
286.10870	1.3
286.14841	0.5
288.08673	3.9
300.12271	0.5
314.13910	3.6
315.14590	0.8
318.09714	7.8
336.10809	4.0
356.14938	3.6
358.16406	0.8
367.26425	0.4
371.97952	0.4
374.15985	1.1
386.15878	5.8
386.20303	0.5
404.17035	100.0
405.17368	1.7
424.40686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37317	0.3
55.01871	0.7
55.05508	1.1
56.05032	1.5
57.03439	4.0
58.06588	0.5
60.04520	1.2
60.05647	0.5
61.02921	0.4
65.03944	0.8
65.56660	0.3
67.05506	0.8
67.11880	0.4
68.05032	0.6
69.03419	0.9
69.07068	0.8
69.24343	2.0
69.24747	0.9
70.02921	0.4
70.06598	10.5
71.01315	0.3
71.06931	0.8
72.08156	3.8
73.02907	1.0
74.06078	4.0
75.04478	2.5
76.73395	0.3
79.05488	0.6
81.07075	0.7
82.06617	0.4
83.06122	0.5
84.04501	2.3
84.08145	7.4
85.02897	3.6
85.06536	0.5
85.08492	0.4
86.09708	14.2
87.05586	0.4
87.09559	0.4
87.10026	1.8
88.03997	0.5
91.05483	100.0
92.05831	0.6
93.07073	0.4
94.55041	0.4
95.01331	2.5
95.08606	1.2
97.02915	0.9
98.06036	0.9
98.09704	1.6
101.07123	2.1
101.10744	0.4
102.05569	0.5
103.03882	0.4
105.07018	0.7
107.08559	0.5
110.07162	2.7
112.08757	0.7
113.02366	1.1
113.06030	0.4
116.07129	0.6
119.04983	0.9
119.08526	0.4
120.08107	2.9
121.06513	1.1
122.64738	0.4
123.04477	0.4
127.03925	0.3
129.10239	3.7
130.05037	0.5
130.06493	0.6
130.08652	0.8
131.03403	0.3
132.08107	0.9
132.10179	0.6
133.06496	0.5
133.10574	0.3
136.07599	1.7
137.05975	7.1
140.08118	0.5
140.14322	0.6
141.01828	5.4
142.12270	0.9
143.11792	1.1
144.08119	0.5
144.12131	0.6
149.05981	0.4
151.08617	0.4
159.02937	0.6
159.09201	1.0
160.07570	0.4
161.09245	0.8
170.06017	0.4
171.11282	0.4
173.12788	0.5
187.10796	0.4
187.14397	5.4
188.14780	5.2
189.09122	0.7
189.12569	0.7
190.12639	0.5
193.08609	52.7
194.09000	0.6
207.13794	0.4
208.12341	0.3
211.09659	22.8
212.10043	0.4
215.13878	1.7
216.14236	1.5
225.10988	0.4
255.15257	0.6
268.11731	0.3
279.74759	0.3
313.08154	0.4
351.10925	0.5
369.11737	2.6
403.69302	0.4
404.13580	1.0
404.18335	0.6
404.25729	0.5
404.54565	0.7
412.54648	0.4
424.99875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05515	8.1
56.05035	2.1
57.03459	0.3
57.05825	1.1
57.16319	0.3
60.04532	0.8
60.05650	0.7
61.02914	0.3
67.05530	0.6
68.05018	0.6
69.03413	0.7
69.07063	1.0
70.02990	0.4
70.06599	8.6
71.05003	0.9
71.06937	0.5
72.08160	100.0
73.08498	0.6
74.06099	2.2
75.05589	0.3
79.05505	0.5
81.03421	0.8
81.07079	0.5
83.04964	0.3
83.06105	0.7
84.04514	2.9
84.08149	6.8
85.02910	1.4
85.08478	0.5
86.06083	0.8
86.09711	45.7
87.05586	0.6
87.10036	0.8
88.03996	1.4
91.05479	1.4
94.06682	0.4
95.04967	0.9
95.08597	0.4
96.08125	0.4
97.02888	0.4
98.02378	0.3
98.06085	0.6
98.09705	1.7
99.10015	0.3
99.23756	0.3
101.07133	1.2
102.05545	1.1
105.07040	0.6
107.08552	0.5
110.06060	0.4
110.07162	1.8
112.08743	0.7
114.05527	1.1
115.08673	0.8
116.07098	0.8
119.04937	0.5
119.87149	0.4
120.08116	2.1
121.02866	0.8
121.06509	0.7
129.10242	2.8
130.04987	0.6
131.08536	0.4
132.10255	0.4
134.04503	0.9
136.07562	1.0
137.09605	0.4
139.03802	0.5
140.14362	0.6
141.10176	0.6
142.12270	0.4
143.11809	26.2
147.04431	0.8
148.06036	0.4
149.04779	0.7
157.13313	0.4
163.03931	0.9
171.11299	16.1
173.12851	0.6
175.10739	1.1
175.11920	1.4
183.11287	0.5
185.16566	0.7
187.14464	2.6
189.12352	1.7
191.08946	0.5
197.16495	0.4
199.18015	0.5
201.12367	2.9
201.58255	0.3
203.13885	0.6
205.12190	0.4
209.09718	0.4
215.14000	2.3
223.13185	0.4
225.15965	5.0
229.07059	0.3
229.11824	2.0
233.11337	23.2
233.15002	1.1
237.09492	0.3
241.14278	0.7
270.18137	8.2
272.16165	0.3
314.20358	0.4
367.12012	0.4
385.12891	1.1
385.17407	0.4
386.11374	0.5
403.07819	1.4
403.14145	1.3
403.18411	0.6
403.22552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	11.3
55.05508	34.2
55.40864	8.6
57.03443	14.2
57.07060	7.8
67.05513	80.6
69.07065	43.8
69.76337	42.4
70.06580	29.1
71.04981	18.9
72.08148	7.4
79.05494	59.2
80.05043	9.6
81.07063	100.0
83.04991	13.6
83.08615	20.1
84.08128	18.2
85.02878	10.6
86.09692	13.8
91.05488	56.9
93.07048	69.8
95.08621	49.0
97.06556	16.8
97.10156	10.5
98.09673	23.3
99.08011	8.6
103.05499	8.1
105.07041	51.8
107.04959	14.5
107.08620	47.9
109.10155	17.6
117.07011	27.3
119.08585	31.4
121.06518	17.5
121.10155	23.0
123.08085	8.7
131.08553	27.2
133.10097	37.1
135.11681	25.4
137.65393	8.0
140.14299	9.1
143.08504	10.0
145.10088	26.4
147.11676	16.5
149.09595	11.6
149.13255	14.3
155.08591	9.0
157.09851	9.1
159.11696	19.8
161.13203	12.4
163.11162	13.4
173.13248	8.6
177.12733	19.4
179.10634	8.1
185.13303	10.5
189.11195	11.0
195.13873	9.9
247.20564	9.5
255.15985	52.8
257.19025	14.5
269.17456	81.5
275.20096	37.2
296.10065	10.0
318.22162	9.1
349.23679	24.9
366.17023	18.2
384.17734	12.0
402.19086	21.6
402.23456	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	403.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.05515	9.8
56.05027	5.8
57.03418	1.9
57.07075	1.9
58.06587	1.7
59.05005	1.8
60.04530	3.6
67.05495	6.4
68.05026	1.8
69.03439	14.2
69.07079	8.7
69.68413	6.8
69.68819	3.7
70.06599	51.4
72.08162	68.9
73.08501	2.6
74.06065	6.2
77.70766	1.5
79.05500	3.5
81.03432	2.8
81.07066	3.4
83.04995	9.9
84.04499	7.6
84.08152	26.7
85.02905	8.9
85.06537	2.3
86.09711	93.7
87.08698	1.4
88.03981	3.3
91.05482	15.8
93.06487	3.5
93.07053	57.0
95.04968	6.7
95.06121	1.7
95.08621	3.8
97.02901	3.8
97.06530	4.2
98.06070	2.4
98.09682	3.7
101.07091	2.7
102.05531	4.6
103.03922	3.2
103.05501	3.1
104.04291	1.8
105.07030	5.0
107.08592	4.3
109.02918	2.0
109.06548	3.8
109.10143	3.5
110.07168	6.6
112.07696	2.0
114.05576	2.0
115.08731	2.4
116.07086	3.8
119.08601	4.6
120.08096	5.0
121.06513	100.0
121.10180	2.4
127.03927	1.8
127.07561	9.8
127.08599	2.9
129.10252	15.5
131.47243	1.6
132.10153	3.1
133.10094	1.9
135.08018	2.7
136.06189	1.6
136.07640	3.1
137.09613	3.0
139.07559	3.1
141.02231	1.7
141.10277	2.9
143.11819	10.1
145.04999	1.8
145.06201	1.8
145.10100	2.0
147.04398	2.0
147.07738	1.7
148.06035	4.4
149.05972	1.9
149.09608	5.2
150.05527	1.8
153.08981	1.4
155.10683	5.1
157.09775	3.3
157.13396	5.5
159.11636	8.2
163.11235	2.6
171.11301	5.4
173.12895	3.9
175.10886	3.4
177.12735	2.9
179.10707	1.6
182.56749	1.9
183.11449	2.1
185.12895	5.2
185.16608	2.3
187.11058	6.7
187.14449	6.5
189.12379	7.4
199.17914	2.2
201.12364	7.2
203.13974	3.2
205.12256	62.8
206.12494	1.6
213.12405	1.9
215.10342	3.0
215.13895	2.3
219.13390	2.7
223.13341	25.7
225.16058	1.5
227.91200	1.6
229.11868	3.6
229.15495	16.6
233.14835	1.7
236.62764	1.7
242.13678	1.8
244.13057	1.9
247.12910	7.3
270.18243	3.0
272.12494	2.9
402.71277	2.1
403.14752	4.2
403.22211	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	402.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75428	0.5
53.03939	2.3
55.01866	1.9
55.05513	9.9
56.05030	2.1
57.03427	2.7
57.05814	1.6
58.06610	1.1
60.04531	1.6
60.05646	1.2
61.02921	1.2
67.05500	1.0
68.05029	1.4
69.03432	9.7
69.07075	4.7
69.85709	2.0
70.02956	2.0
70.06596	17.5
70.76163	0.5
71.04992	3.5
71.06908	0.7
72.08157	100.0
73.02907	2.5
73.08497	0.6
74.06104	1.2
76.03997	1.1
79.05515	0.8
81.03423	10.2
81.07047	0.9
82.06576	0.9
83.04976	0.7
83.06089	0.9
84.04496	4.2
84.08149	15.2
85.02908	42.6
85.08478	1.3
86.06077	2.0
86.09708	51.2
87.05592	8.0
88.04010	1.6
89.76930	0.6
90.05547	0.6
91.05483	1.6
93.07050	1.2
95.04971	1.8
95.06111	1.0
96.04482	0.8
96.08138	1.8
97.02898	18.1
98.02428	1.4
98.06078	0.7
98.09694	5.2
99.04459	4.3
99.09235	1.0
101.07214	0.8
102.05565	1.3
103.03946	52.2
105.06976	0.6
109.02887	13.4
110.02404	1.5
110.06065	2.7
110.07166	9.5
110.07872	0.7
112.07617	0.5
112.08767	1.4
113.10773	0.6
114.05535	0.8
115.03939	5.6
115.08705	1.1
117.10268	0.7
119.04977	1.0
119.08645	0.6
120.08154	2.1
121.06551	2.2
123.04440	0.7
124.07632	4.1
126.05472	0.6
126.52379	0.6
127.03925	20.6
127.08689	4.0
129.05556	0.7
129.10237	8.0
130.04985	1.2
133.06119	1.6
135.04451	0.6
136.07571	3.4
138.05560	0.6
138.06615	0.7
138.09151	1.1
139.03961	1.0
140.14352	2.0
141.10220	4.8
143.11841	0.6
145.04973	20.3
145.06136	1.0
147.04433	1.5
148.03911	0.7
148.06059	0.8
148.07629	0.9
150.09204	0.5
151.07455	0.6
152.07143	0.8
152.10718	1.5
153.70726	0.6
155.08266	0.9
155.11784	3.5
157.04962	8.9
157.09695	0.8
157.13354	0.8
162.05492	0.8
164.11836	0.8
166.08722	1.5
169.09723	10.1
171.11433	0.9
175.06091	1.1
180.06602	1.2
181.05014	1.0
183.11298	3.6
185.16545	1.2
186.12387	5.6
189.12355	12.4
189.68916	0.6
190.05074	0.7
193.09702	0.8
197.09216	8.7
199.10858	1.3
200.13924	8.5
201.12469	0.7
202.12538	0.6
205.12321	0.6
209.14076	1.9
211.06129	1.1
211.10666	0.7
213.16098	0.5
214.11879	49.3
215.12422	0.9
222.07654	0.9
228.13431	7.4
228.15210	0.6
229.07071	12.6
229.15543	0.8
237.13580	2.3
246.14474	0.6
247.08118	3.5
252.60869	0.7
265.15594	0.6
269.11438	1.1
282.18170	5.5
286.13940	0.9
296.11578	0.8
299.20801	1.2
300.19272	0.6
303.16748	1.6
310.17517	0.7
327.20322	5.5
384.13052	1.8
384.21997	0.6
385.20935	1.9
392.53610	0.6
402.13931	10.2
402.23315	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
55.05519	7.7
56.05039	1.7
56.96570	4.1
57.03442	1.3
57.05806	1.0
60.05647	0.9
60.56178	0.7
61.02930	1.2
67.05511	0.7
68.05042	1.4
69.03427	3.7
69.07063	1.0
70.06600	13.9
71.04978	0.7
71.06941	1.5
71.51102	0.9
72.08160	100.0
73.02927	2.1
74.02445	1.3
74.06075	1.4
79.05502	1.0
80.05023	1.5
81.03426	2.5
82.06560	0.7
84.04503	5.6
84.08152	16.6
84.96030	1.4
85.02910	10.3
85.08500	1.8
86.06100	1.6
86.09716	14.5
87.04479	0.7
87.05601	5.0
88.03992	1.7
91.05493	2.5
95.01345	2.1
95.04985	1.2
97.02901	6.2
98.09699	1.5
98.97591	7.8
98.98979	0.6
99.04477	1.2
100.07598	0.7
101.07143	0.9
103.03964	1.5
107.05016	1.5
109.02930	1.1
110.06088	1.2
110.07171	2.5
110.09664	0.6
110.97554	3.2
111.02917	0.8
112.08757	1.1
113.02399	0.8
115.03993	0.7
115.08677	1.1
116.98653	2.3
119.01869	1.0
119.04946	4.1
120.04434	0.8
120.08039	1.2
121.06545	2.2
122.06067	1.1
124.07592	0.7
127.03960	2.6
128.98611	1.8
129.06615	0.7
129.10255	6.3
130.05013	3.3
132.03470	0.8
133.06097	27.9
134.06009	0.9
135.04456	1.0
136.03790	0.9
136.06224	2.1
136.07600	2.3
138.03419	0.8
140.07156	0.8
140.14438	0.7
143.11804	29.9
145.05005	1.4
146.99649	0.8
147.04410	12.3
147.05516	0.8
147.07614	3.5
148.04843	0.7
148.07545	0.7
150.05544	1.3
150.55057	0.9
151.55882	1.2
156.07770	1.1
157.13380	0.7
158.99724	1.5
161.01253	1.1
161.02876	0.7
162.05492	1.2
163.03928	0.9
170.99710	1.3
171.11299	22.8
171.15002	1.8
174.04492	13.3
174.54686	2.9
175.04391	1.4
177.00720	1.2
178.05035	2.4
180.06523	0.8
181.25677	0.8
183.03046	1.0
183.05069	1.4
185.02997	0.8
185.12906	0.9
185.16534	0.8
190.08311	0.8
191.03558	1.0
191.07945	1.1
191.57921	0.7
201.08749	0.8
201.12338	0.7
203.10359	0.9
204.10744	0.7
212.53049	0.7
213.15981	0.8
214.11845	0.9
215.10283	4.3
218.11577	1.3
219.01749	6.4
221.05269	1.8
222.57080	3.0
223.07324	0.8
223.57974	3.3
225.15892	4.1
228.13304	0.7
230.56047	2.0
232.12936	33.9
236.05812	1.1
237.02808	8.3
245.05162	1.2
260.16190	1.0
270.18152	11.7
272.10599	1.7
272.60507	1.1
273.20187	0.8
276.60068	1.2
282.12866	0.8
298.05975	1.6
300.07449	0.9
302.11032	0.8
309.08875	0.8
316.07190	2.3
318.08759	2.1
326.08844	0.9
342.01917	0.8
384.09070	3.9
385.07822	1.4
385.21332	0.7
402.10132	5.6
402.19357	2.0
402.24527	4.2
402.27893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00953	0.2
55.01867	0.6
55.05493	0.3
57.03436	0.3
61.02926	0.3
67.05489	1.0
69.07068	0.3
70.06581	0.9
70.78551	0.6
71.04995	1.1
73.65411	0.2
76.45473	0.2
79.05508	1.2
80.97462	0.2
81.03423	5.1
81.07052	1.2
84.04504	0.4
84.08136	0.7
85.02913	0.4
86.06091	0.3
86.09693	0.3
91.05482	0.9
93.07041	0.9
94.02914	0.3
94.04181	2.3
95.01347	0.3
95.04978	1.2
95.08614	1.3
96.04498	0.3
96.05747	0.5
97.06538	0.6
98.09690	0.8
105.04519	0.3
105.07017	1.1
107.04958	0.6
107.08604	0.6
109.02879	0.3
109.06512	0.2
112.04009	0.3
113.09638	0.4
115.05489	0.2
120.08112	0.2
121.06490	0.6
121.10143	0.5
123.08069	100.0
124.03981	0.3
124.08412	0.9
125.09577	0.4
125.28814	0.2
128.03404	0.3
131.08575	0.8
133.06483	0.4
133.10146	0.8
134.06068	0.3
136.07538	0.2
137.09679	0.3
140.14317	0.2
143.08665	0.3
145.10074	0.5
149.09595	1.5
150.01878	1.4
151.03918	0.5
151.07541	0.3
151.11156	0.4
152.03421	0.3
159.08043	0.4
161.09625	0.3
163.07596	0.3
164.03442	0.8
168.06458	0.3
173.09695	0.3
177.09085	1.2
201.09195	0.3
214.05022	0.4
218.11809	0.3
218.15195	0.2
219.10323	0.3
220.13356	0.4
228.10197	0.3
230.11850	0.4
241.07106	0.4
245.11845	0.5
246.11305	1.0
247.09778	0.3
255.10091	0.4
256.09735	1.0
273.11169	1.6
274.10800	3.6
292.11954	0.9
307.11728	0.5
309.13297	0.4
324.14520	0.7
326.12283	0.6
334.12903	0.8
335.11380	0.6
335.41855	0.3
342.15515	0.9
352.13940	7.5
353.12445	0.8
370.14948	5.0
384.16577	0.5
402.17648	8.7
402.22461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01866	3.9
55.05505	1.0
56.05035	1.6
56.96570	6.0
57.03437	3.8
60.05645	1.6
61.02918	3.0
67.05505	1.3
67.44220	0.8
68.05028	2.7
69.03436	8.9
69.07053	0.9
69.85593	2.8
69.86000	1.6
69.99712	0.7
70.06598	14.9
71.01396	0.9
71.04990	2.1
71.22845	0.8
72.08165	5.3
73.02917	5.1
73.85101	0.9
74.06062	1.1
79.05492	1.4
81.03410	2.8
83.04987	0.9
84.04512	3.1
84.08150	15.1
84.96024	1.9
85.02907	11.1
86.03245	0.8
86.06077	3.5
86.09722	7.1
87.04477	2.8
87.05578	1.0
91.05467	6.1
93.07063	5.6
95.01335	1.5
95.04968	2.7
96.04491	1.8
97.02898	8.6
97.06550	0.8
98.09703	1.1
98.97590	14.5
100.03992	3.8
101.07147	0.9
103.02293	0.9
103.05473	3.8
107.04978	1.7
109.02891	1.9
110.06030	1.3
110.07171	2.6
110.97536	3.9
112.07587	1.2
112.08698	2.3
112.99138	1.2
114.05520	2.1
115.08681	2.2
116.07034	0.9
116.98622	4.6
119.01859	1.3
119.04937	3.2
120.08099	1.1
121.06509	100.0
121.97234	0.9
123.04427	2.1
124.07570	0.9
125.02327	1.1
127.00712	2.7
127.03906	3.1
128.98610	3.3
129.10231	8.5
130.05005	2.6
131.00214	1.5
134.06064	1.1
134.99678	1.1
135.04417	2.2
136.06210	4.8
136.07567	2.6
136.86302	0.8
138.09143	33.5
140.03564	0.9
140.08200	1.0
141.10207	1.1
143.00117	1.1
145.01753	5.4
145.04959	1.6
146.99721	1.4
147.04408	3.3
147.07709	2.3
148.03859	1.2
149.06044	1.5
152.07135	0.9
153.05511	1.4
154.03886	8.0
154.05005	1.3
155.01778	1.1
157.13361	1.3
158.06621	1.9
158.09291	0.9
158.99608	4.2
161.01273	1.9
161.02838	1.4
161.04665	1.1
162.05528	1.2
163.02773	3.6
163.04242	2.4
164.07050	1.2
165.05508	1.1
170.06688	1.0
170.08043	1.1
170.99661	1.6
171.05035	1.2
175.11919	2.0
176.07596	1.2
177.00711	3.0
181.04988	1.0
182.03362	1.5
186.04327	1.9
189.00731	1.2
189.06024	4.8
190.04958	1.3
191.03436	1.1
192.06595	1.7
200.27782	0.9
201.00558	1.9
201.12456	0.9
204.05394	1.4
208.06026	1.0
209.04510	1.5
212.07780	1.1
217.05576	1.2
218.11328	2.4
219.01785	11.1
220.06108	0.9
221.05020	1.3
222.03638	0.9
226.06071	12.4
226.56151	1.8
237.02797	10.9
238.07025	1.3
240.10788	4.3
258.12119	1.2
269.60834	1.1
270.08600	38.2
270.58749	5.4
271.09021	1.2
273.08200	3.6
289.05939	3.5
290.06201	1.0
302.06128	0.9
305.02927	1.0
306.06174	1.0
307.06989	4.9
314.10843	4.8
320.07657	1.6
330.08295	1.9
336.06631	0.9
339.07343	2.6
357.08908	0.9
366.08182	3.8
384.09244	17.9
384.13968	1.2
402.06076	1.0
402.10504	16.4
402.15579	1.5
402.24271	8.0
403.22958	2.0
417.21152	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01859	1.6
55.05518	9.8
56.05028	2.6
57.03425	2.8
57.05812	1.3
58.06602	0.8
60.04514	2.9
60.05651	1.2
61.02934	1.5
67.05507	1.9
67.63141	0.9
68.05022	2.7
69.03433	11.5
69.07075	5.5
69.97057	1.5
69.97351	4.3
70.02946	2.8
70.06596	19.7
71.05003	4.4
71.06908	2.0
72.08162	100.0
73.02908	3.0
74.06078	2.2
76.04015	0.9
79.05494	1.4
81.03428	12.5
82.06570	2.2
83.05007	1.1
83.06080	1.5
84.04510	6.2
84.08148	16.9
85.02911	53.8
86.06059	2.8
86.09711	56.2
87.05598	7.0
88.03979	2.0
91.05505	2.2
93.04522	1.0
95.04977	2.3
96.04508	0.8
96.08134	1.8
97.02303	1.4
97.02898	21.4
97.03512	1.1
97.06567	1.1
98.02435	1.8
98.09695	4.9
99.04457	4.2
99.09211	1.7
102.05520	1.1
103.03947	58.6
105.07023	1.2
108.04453	1.5
109.02880	14.5
109.06505	1.0
110.06024	2.6
110.07178	10.8
112.08711	1.3
115.03954	7.7
115.08670	1.1
120.08117	1.8
121.06532	2.1
124.07608	4.9
126.09152	1.0
127.02982	1.3
127.03931	26.7
127.08679	5.6
129.10245	9.1
129.86728	0.9
130.05051	1.4
133.06157	0.9
136.07587	5.5
138.09151	2.5
140.14316	1.7
141.09187	1.0
141.10225	6.2
145.04968	21.1
147.04420	1.8
148.06117	1.0
152.07027	1.1
152.10709	1.4
155.08264	1.0
155.11809	5.1
157.04987	11.4
164.07010	1.0
164.11835	1.4
166.08539	1.0
169.09766	9.7
171.11368	1.4
175.06001	1.4
183.11324	4.3
186.12424	6.0
187.06047	0.9
189.12369	13.3
197.09262	8.9
200.13982	10.9
209.13994	1.1
211.06029	1.9
214.11890	54.5
219.07721	0.9
228.13461	8.6
229.07091	13.9
237.13455	1.4
247.08101	4.0
269.11383	1.4
282.18097	6.1
286.13907	1.9
303.16605	2.6
327.20261	6.8
359.10049	1.1
381.19553	1.0
384.12817	1.3
385.20654	1.3
402.13837	10.1
402.24561	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	401.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.3
55.01871	10.7
55.05507	17.9
56.05050	6.4
57.03437	11.0
57.07077	4.8
58.06604	4.1
59.05000	3.5
60.04495	4.0
67.05511	25.7
67.05820	5.4
68.05034	7.3
69.03441	17.1
69.07063	17.7
69.51942	28.1
70.06602	49.7
71.04996	27.1
72.08161	9.5
73.02902	4.8
79.05508	18.8
81.03415	13.2
81.07071	50.0
82.02947	3.4
83.04953	4.9
83.08630	7.5
84.04523	11.9
84.08157	40.9
85.02912	23.6
85.06536	8.6
85.15920	3.7
86.06075	9.8
86.09723	14.7
91.05482	22.0
93.07054	36.1
95.04964	6.7
95.08617	48.6
97.02878	12.0
97.06502	4.8
97.10188	4.3
98.09705	27.0
99.08096	7.2
105.07047	44.4
107.04991	5.6
107.08627	33.5
109.06530	7.8
109.10172	32.8
110.09663	4.3
111.04488	5.4
119.08590	47.6
120.08107	9.4
121.06516	11.6
121.10136	19.7
122.06075	4.7
123.07214	6.1
123.08087	100.0
123.11713	16.5
125.09587	9.3
127.03953	6.9
127.11211	10.4
129.05579	4.5
129.06958	4.6
129.10260	7.7
131.08583	12.3
133.05046	6.4
133.10129	21.5
135.11719	37.1
136.06192	6.6
136.07584	6.3
137.06065	4.0
137.09610	4.4
137.13226	4.6
139.11179	4.2
140.14339	9.3
143.08557	14.0
143.10710	9.0
145.10115	14.1
147.11682	16.1
149.13298	13.0
157.10109	11.1
158.15318	4.6
159.08035	4.6
159.11711	13.3
161.09706	4.1
161.13255	12.1
171.11700	6.0
173.13181	4.2
175.11868	4.4
183.11755	5.7
195.11833	5.0
201.12805	6.2
203.17973	18.8
207.11801	4.8
221.15515	3.7
221.19005	19.8
287.10275	4.4
299.20071	4.1
328.15463	12.9
356.14996	4.1
383.11951	6.6
383.16241	7.6
394.86679	4.9
401.13602	7.7
401.17334	43.8
401.21786	7.7
401.28598	11.5
402.18024	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	401.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01871	0.4
55.05514	0.8
56.05037	3.1
56.96566	0.6
57.03429	0.8
61.02932	0.6
65.03938	0.3
67.05502	7.8
68.05040	0.9
69.03429	2.1
70.06593	10.3
71.04996	1.4
72.08142	1.1
73.02924	0.8
77.00627	0.8
79.05479	0.4
80.05019	0.6
81.03419	0.9
81.07056	0.9
82.06542	0.7
84.04495	3.1
84.08143	100.0
85.02906	5.1
85.06533	1.0
85.08466	0.8
86.06078	0.5
86.09711	1.7
87.04472	0.5
88.03949	0.3
91.03944	0.4
91.05483	0.9
95.76994	0.3
96.04504	0.6
96.08076	0.4
97.02889	2.3
98.06058	1.2
98.97597	1.2
99.04450	0.8
99.69958	0.3
102.05566	0.6
109.02905	1.4
109.10150	4.7
110.06045	10.1
110.07182	0.6
110.97517	0.3
114.05505	1.1
119.04955	1.9
124.07612	1.2
126.09154	0.8
127.03922	1.2
127.11213	0.7
129.10219	1.0
130.05005	1.4
136.06177	0.4
136.07593	0.5
142.08655	0.6
144.10196	5.6
145.04993	0.9
147.04405	7.4
150.55034	0.4
163.89113	0.3
174.04449	2.4
174.54688	0.4
175.04601	0.4
175.11856	0.4
176.07028	0.7
187.05998	0.5
187.10861	0.6
190.07167	0.4
201.12355	1.4
203.11043	1.4
209.16415	0.4
215.13934	1.2
217.11841	0.7
219.01859	0.8
221.12085	4.7
222.07652	0.7
222.57141	2.0
223.07370	0.9
237.02827	1.6
239.10327	2.3
239.13136	6.1
270.13354	0.6
271.09799	1.4
271.60123	0.5
288.14432	1.7
298.05844	0.6
316.07132	0.7
401.19183	50.7
402.19504	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
53.28397	4.4
55.01871	6.8
55.05514	54.2
56.62688	4.1
57.03439	11.7
57.07084	26.1
59.04999	4.8
61.02924	4.9
66.81187	5.1
67.05496	37.3
69.03415	17.0
69.07066	42.2
69.73858	17.3
69.74267	7.6
70.06591	14.4
71.01350	6.4
71.04991	32.5
72.08136	5.8
73.02907	12.0
73.06561	5.0
79.05507	22.7
79.36802	4.5
80.40959	4.4
81.03412	6.8
81.07060	100.0
83.04957	6.7
83.08616	38.4
84.08138	6.8
85.02901	36.2
85.06560	7.0
86.09717	6.5
91.05474	23.8
93.07051	67.6
95.04966	17.6
95.08613	76.5
97.02897	11.0
97.06528	7.8
97.10182	12.8
99.08096	16.9
105.07042	40.7
107.08599	95.0
109.06493	7.3
109.10156	66.6
115.03911	6.8
117.06985	5.3
119.08600	33.5
121.06491	11.6
121.10145	53.7
123.08053	8.7
123.11714	78.0
125.09676	27.0
127.11190	15.1
128.28186	4.4
131.08612	12.6
133.04964	11.7
133.10161	31.0
135.11705	82.0
137.09587	16.3
137.13275	27.3
139.11163	10.5
141.12788	4.3
143.08557	11.7
143.10690	41.1
145.04907	6.1
145.10147	19.5
146.10825	4.2
147.07959	6.9
147.11705	19.9
149.13272	50.2
149.71219	4.4
151.11156	7.5
151.14853	5.1
153.12764	18.4
155.08490	4.7
157.10178	10.9
159.11714	20.7
161.13240	15.0
163.11230	7.1
163.14835	9.3
165.12839	7.0
171.11760	11.3
173.09543	4.1
173.13272	9.1
177.12665	5.7
185.13309	5.2
187.11244	4.9
187.14838	6.6
189.12822	4.7
197.13165	5.1
199.11273	5.2
201.16374	5.1
203.18002	14.5
205.19522	39.3
211.15022	4.9
215.18018	7.9
221.19049	21.0
223.14882	4.4
223.20610	13.8
225.12788	5.1
233.19011	10.5
279.16010	4.9
287.14957	4.8
329.21167	7.3
347.22195	8.9
365.23026	7.6
383.23895	8.0
405.88614	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	401.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00668	3.4
53.03945	8.1
55.01862	8.6
55.05515	48.4
57.03446	17.0
57.07085	16.9
59.04997	9.8
61.02920	6.6
63.55290	3.4
67.05507	34.6
69.03416	13.8
69.07072	49.8
70.06571	10.8
70.12272	8.2
70.12674	5.2
71.01328	4.4
71.04984	29.0
72.08165	4.7
73.02905	10.9
77.59650	3.7
79.05487	30.3
81.03424	8.0
81.06593	6.7
81.07063	100.0
83.04978	6.7
83.08632	37.6
84.08148	9.8
85.02917	25.7
85.06544	8.1
86.09698	6.1
91.05490	18.8
93.07043	65.0
95.04950	11.2
95.08612	68.2
97.02874	10.0
97.06527	6.9
97.10155	13.9
98.09709	10.8
99.04455	5.8
99.08095	13.4
105.07030	32.6
107.08601	86.2
109.06530	14.6
109.10164	67.3
111.08062	6.5
111.11723	3.6
115.03873	6.5
117.07011	6.0
119.08579	32.4
121.06506	13.9
121.10146	41.5
122.09654	3.6
123.08035	5.9
123.11725	59.3
125.09628	15.4
127.11217	9.9
129.07060	6.4
131.08553	9.5
133.04965	12.6
133.10129	27.5
135.08057	7.2
135.11697	87.5
137.09683	7.6
137.13240	26.8
141.12770	6.1
143.08572	8.6
143.10680	30.9
145.10100	10.1
147.08028	8.4
147.11670	20.1
149.05946	6.5
149.13264	39.7
150.09166	24.7
151.07564	5.9
151.11140	6.3
151.14842	4.6
153.12730	12.2
157.10083	5.5
159.11690	12.5
161.09662	4.6
161.13255	14.3
163.11163	4.0
163.14850	11.7
167.10669	4.0
171.11656	9.3
172.03918	9.3
172.11784	4.1
173.13242	8.1
175.11095	4.7
175.14812	3.6
187.11218	3.8
194.12003	3.5
203.17976	24.0
204.06564	16.2
205.19492	36.2
221.19049	19.3
223.20638	10.5
233.18903	5.9
259.14459	4.0
269.13974	7.1
285.07990	13.3
329.21216	4.1
352.72333	3.9
365.23480	6.1
383.15976	6.3
383.24023	4.7
401.25098	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	400.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09035	0.5
55.05515	8.3
56.05039	0.7
56.96568	0.8
57.07072	1.8
58.06605	1.3
61.02908	0.5
67.05505	1.5
69.06744	0.6
69.07075	6.9
70.06599	11.7
70.77716	0.8
70.78057	1.1
71.08636	0.7
71.20787	0.5
72.08154	0.4
73.31414	0.4
74.06056	0.8
79.05512	0.7
81.07060	1.7
83.08615	3.9
84.08150	0.7
86.09702	1.0
88.07636	23.7
91.05479	0.5
95.08601	0.8
97.10147	1.0
102.09189	9.7
105.07064	0.6
109.10174	0.7
132.10213	1.1
146.11766	0.8
147.51889	0.5
165.36707	0.5
180.35895	0.6
294.31519	0.6
338.34189	32.5
361.69516	0.7
382.36908	1.7
400.37878	100.0
401.38177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12380	0.5
55.05521	1.8
56.05033	1.5
57.03435	1.3
59.28839	0.5
60.04531	0.7
61.02917	1.2
63.05902	0.5
63.50247	0.6
63.90307	0.6
65.03928	2.1
67.05507	48.4
69.03426	2.4
69.07043	1.4
70.06597	9.4
71.05000	5.2
71.50865	0.6
72.08167	1.1
77.00627	2.5
79.05522	0.8
80.63097	0.6
81.03401	1.4
81.07057	4.7
82.57249	0.6
83.08601	1.2
84.04507	24.0
84.08150	17.9
85.02912	5.6
85.06550	4.5
86.06052	0.7
86.09705	2.1
87.04443	0.7
91.05489	0.8
91.76572	0.5
92.05002	3.9
92.91935	0.6
93.03407	0.5
97.02901	2.9
98.06094	0.7
101.52391	0.7
102.05537	0.8
105.07037	5.1
106.07354	3.0
107.08644	1.0
108.87601	0.7
109.09396	0.7
109.10162	26.0
110.06046	100.0
111.04488	1.0
111.06346	1.1
119.04900	0.8
122.09663	2.0
123.10027	1.4
126.05512	0.8
127.03925	1.2
127.08601	0.7
127.11189	4.2
130.04999	9.6
144.10236	1.1
145.04979	0.9
145.06870	0.5
147.04411	2.5
158.06038	0.7
175.08694	0.9
176.07106	3.1
194.08064	0.8
201.12387	0.6
203.11020	8.2
213.46957	0.7
215.13892	0.8
221.09413	1.5
221.12065	31.4
222.07573	3.0
225.64531	0.6
239.10326	26.4
239.13159	39.0
278.83578	0.6
309.19904	0.6
401.12280	3.8
401.19397	7.8
418.20825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.7
56.05002	0.8
58.94221	0.4
67.05467	0.7
69.07011	0.4
70.06606	1.7
79.05464	0.3
80.05047	0.4
81.07036	0.7
82.06535	0.6
84.08154	2.2
86.09691	0.9
91.05428	1.5
93.07001	0.6
94.06510	0.5
95.04913	0.4
95.08532	0.6
96.08108	0.6
97.02792	0.5
97.06502	0.4
102.25381	0.4
105.06982	1.0
106.17738	0.4
107.08564	0.6
109.10088	0.6
110.09656	0.8
114.10455	0.4
117.06948	0.5
120.08066	1.0
121.06480	0.6
121.10090	0.4
122.05985	0.5
122.09637	0.8
123.09178	2.6
129.06990	0.4
132.08002	0.8
133.10051	1.4
134.05968	0.7
134.09647	3.9
135.10391	0.5
138.62189	0.4
144.07950	0.4
146.05952	0.4
146.09688	2.4
147.10437	4.0
148.11168	1.5
150.05464	0.5
150.09097	0.4
151.07465	0.4
158.09610	0.4
160.11229	2.9
161.12016	2.3
162.12755	3.1
163.13535	0.7
164.14302	0.6
167.10573	0.4
170.98096	0.4
171.11604	0.6
172.11189	0.7
174.12773	3.7
175.13509	1.6
176.14377	3.6
185.10626	0.4
186.09114	0.6
186.12764	0.6
188.14349	6.5
189.10034	0.5
189.15079	0.9
190.15895	0.7
192.06602	0.6
199.08644	3.6
200.10654	0.8
202.12164	0.4
204.13974	0.5
210.07576	0.8
213.10074	0.5
214.15846	1.5
216.17410	1.4
222.96301	0.4
227.11765	0.5
228.13901	0.6
242.15492	2.7
243.14935	4.0
246.11259	0.6
252.12239	0.5
255.14861	0.7
256.16986	0.7
259.18115	0.6
264.12271	2.1
272.16623	0.6
275.13876	2.4
283.18042	0.8
290.13989	0.9
293.20279	0.5
298.17996	0.6
301.15494	0.9
311.21225	0.6
312.14517	0.6
326.17514	1.4
329.14972	0.6
330.14532	1.8
331.16528	3.7
341.18567	0.6
343.16339	0.7
343.20206	7.3
355.20218	4.6
356.26010	0.5
371.19736	3.9
373.21228	100.0
374.21677	1.8
384.24881	0.4
396.72119	0.4
400.22327	65.4
401.22574	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05428	0.8
55.05645	0.5
56.04950	0.5
56.05176	0.4
57.03342	0.4
59.84000	0.4
60.32576	0.4
61.95228	0.4
67.05386	0.9
67.05698	0.5
69.06963	0.5
70.00351	1.3
70.00757	0.9
70.06455	2.3
70.06863	0.9
72.08027	0.5
79.05378	0.8
81.06952	0.9
82.06462	0.5
84.07988	2.5
84.94114	0.4
86.09581	0.9
91.05325	1.1
93.06884	1.4
93.07398	0.4
97.02785	0.6
105.06858	1.5
107.08472	0.8
108.04391	0.5
108.07951	0.4
109.10045	0.5
110.09545	0.5
116.16404	0.4
117.06852	0.5
119.08492	0.6
120.07932	1.5
121.06380	0.8
121.60534	0.4
122.09559	0.9
123.09014	2.2
126.05354	0.4
129.10130	0.5
132.07962	0.5
133.09979	1.1
134.05850	0.5
134.09648	4.1
145.09981	0.5
146.09663	2.9
147.10416	4.3
148.03831	0.5
148.11041	1.3
150.09045	0.4
160.11215	2.5
161.12001	2.9
162.09021	0.7
162.12773	3.6
163.13348	0.6
164.14246	1.0
172.11067	0.5
172.20963	0.5
174.12775	4.0
175.13588	2.1
176.14357	4.2
178.15833	0.6
181.14070	0.5
186.09039	0.6
186.12727	0.7
188.14357	7.1
189.14975	0.9
190.15700	1.2
192.06465	0.7
199.08643	4.6
200.10632	1.0
206.15184	1.0
207.15578	1.3
212.10640	0.6
213.10046	0.8
213.13766	0.5
214.12143	0.6
214.15726	1.1
216.13815	0.4
216.17355	1.1
217.13274	0.5
228.13730	0.8
228.17438	0.5
241.09595	0.7
241.13390	0.9
242.15375	3.4
243.14931	5.2
245.12617	0.5
246.11217	0.5
253.89757	0.4
254.53786	0.4
255.14764	0.6
256.16873	1.3
257.16394	0.5
264.12219	1.9
265.16806	0.4
269.16272	0.8
275.13937	2.7
283.17905	0.5
290.14050	1.0
301.15280	0.9
310.18063	0.5
311.21466	0.5
325.18787	0.7
326.17282	0.8
329.15128	0.5
330.14481	2.7
331.16464	4.2
340.80484	0.4
341.18506	1.0
343.20169	7.1
344.20120	0.4
355.20148	5.8
371.19656	3.9
373.21225	100.0
374.21912	1.9
382.21124	0.5
400.22351	82.2
401.22620	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01869	3.8
55.05516	11.1
56.05021	5.1
57.03425	4.6
57.07074	2.7
58.06622	1.6
59.04991	2.8
59.77397	1.5
61.01151	1.4
61.02901	2.0
62.53386	1.4
65.64619	1.4
67.05500	10.9
68.05018	3.1
69.00127	1.5
69.03433	21.9
69.05805	1.4
69.07066	9.7
70.06591	29.5
71.04990	20.9
71.52493	1.7
72.08173	7.8
73.02889	3.1
73.06559	1.9
74.06055	2.6
79.05486	10.4
81.03421	9.8
81.07059	31.3
83.04985	7.7
83.08606	3.8
84.04494	2.7
84.08142	32.4
85.02442	2.8
85.02906	38.8
85.06540	2.0
86.06058	4.3
86.09708	14.7
87.05573	2.2
91.05481	15.1
93.07045	24.0
94.06566	1.7
95.01328	2.6
95.04966	4.6
95.08615	16.8
97.02895	26.2
97.06542	4.4
98.09689	15.9
99.04445	5.0
99.08088	3.1
102.05537	6.8
103.05422	2.5
105.07030	27.8
107.04964	1.7
107.08598	21.6
109.02870	7.7
109.06487	3.5
109.10153	17.0
110.07128	4.2
111.04412	3.8
113.02349	1.9
115.05512	1.6
115.08729	1.9
117.07006	5.2
119.08579	12.6
120.08109	13.2
121.06546	3.6
121.10139	17.5
123.04447	1.8
123.08036	2.3
123.11721	11.2
125.09614	2.4
127.03938	14.3
127.11175	6.8
129.05434	2.4
129.06973	2.6
129.10255	4.9
130.08621	3.0
131.03404	2.3
131.04944	2.0
131.08597	14.9
133.10133	100.0
135.08064	2.5
135.11688	19.5
136.06190	17.3
136.07310	2.0
136.07571	1.9
137.09630	2.6
139.11150	1.6
140.14322	6.8
143.08591	2.1
143.11809	2.3
145.04958	4.2
145.10144	13.8
146.06148	1.4
147.08020	2.6
147.11684	13.2
149.09634	2.5
149.13194	3.4
151.11140	2.5
153.01875	2.4
153.12752	24.8
156.07507	1.6
157.10085	4.1
158.15378	5.9
159.08005	5.1
159.09164	2.3
159.11679	11.1
161.09619	1.7
161.13242	3.9
162.09152	2.0
163.03978	1.8
163.06116	1.5
163.11163	4.0
163.14835	2.0
166.08644	3.0
171.11404	2.5
172.04102	1.4
173.04486	2.9
173.09557	1.3
173.13341	2.7
175.11201	2.4
177.11066	1.8
177.12653	1.7
177.20378	1.3
181.55460	1.5
189.16397	2.0
191.14328	1.9
191.17979	19.4
201.16360	21.4
207.11366	7.1
209.18988	3.9
219.17467	25.0
237.14853	4.6
237.18538	13.1
247.85027	1.5
250.09386	16.8
298.09665	3.6
318.18631	2.7
381.23169	2.6
399.15686	3.2
399.20840	6.3
399.25208	2.9
399.71561	2.0
400.16043	2.4
410.10431	1.8
421.55405	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98642	0.3
56.96566	5.6
63.54638	0.2
65.32755	0.2
71.50549	0.2
71.95260	2.0
98.97584	83.9
99.97868	0.2
104.63730	0.2
116.98620	35.3
130.93304	0.6
134.99655	7.9
140.00198	1.3
153.00688	0.4
153.87047	0.2
154.92218	0.2
154.93375	0.4
158.01212	0.2
169.98485	0.2
172.94363	4.7
174.97702	0.2
190.95403	2.8
197.95129	0.4
208.96416	0.6
214.95395	3.6
219.01814	0.2
230.98538	0.2
232.96457	6.0
233.52831	0.2
233.96957	0.3
234.99913	0.2
241.94165	0.3
250.97528	2.3
255.97859	0.3
256.96436	17.7
258.99728	3.5
261.03088	0.4
274.97501	100.0
275.97839	0.6
276.97910	0.3
277.00748	2.7
283.00003	0.5
288.99335	0.2
292.98553	44.6
293.98892	0.4
294.99106	0.3
297.99088	2.9
298.97763	0.5
301.01044	0.6
303.00806	0.2
310.99771	0.2
314.95605	0.2
315.95392	0.2
316.00208	0.7
316.98782	0.6
353.12695	0.4
357.03683	0.4
371.13608	0.8
375.97684	0.3
398.97629	2.2
416.98688	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	399.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25443	0.6
54.76174	0.5
55.05524	1.3
56.05029	2.6
57.03427	1.3
57.37192	0.6
60.04525	1.2
60.05638	0.6
66.07647	0.5
67.05495	1.8
68.05029	1.4
69.03426	1.5
69.07048	0.6
70.06593	27.0
70.65887	1.3
71.04974	0.6
71.06923	0.7
72.08152	7.5
74.06071	1.2
79.05499	1.5
82.06566	1.1
84.04503	2.1
84.08145	12.1
85.02898	2.0
86.06062	2.2
86.09708	14.5
88.03958	0.8
91.05466	1.5
94.06564	1.8
96.04472	0.8
96.08126	1.6
97.02908	3.0
98.06041	0.8
98.09688	1.8
101.07108	0.5
102.05513	1.5
103.05460	2.4
107.04926	0.6
110.06027	2.5
110.07178	3.4
110.07820	0.5
112.07592	0.8
112.08701	1.2
116.07087	3.5
119.04974	1.1
120.04446	1.2
120.08098	2.6
121.02892	0.9
121.06473	0.7
122.06033	4.7
123.06859	0.9
124.07577	1.0
126.05525	1.4
127.05116	0.6
129.10243	3.1
131.04933	4.8
131.72418	0.7
133.06474	0.7
134.05994	0.7
136.06171	3.1
136.07570	3.1
137.04736	1.3
138.05499	4.3
140.07176	0.7
143.07158	0.6
147.04395	1.2
148.03871	0.7
150.05536	0.8
151.06308	2.8
152.07069	87.3
153.07787	0.9
154.08627	1.6
163.07545	2.5
164.07007	0.9
166.08649	23.7
167.05765	1.1
169.13416	3.5
173.09120	0.7
175.08713	1.4
182.08141	43.5
183.14958	2.6
185.16469	1.3
186.09198	0.9
187.10774	2.5
187.12297	1.2
189.12286	0.9
194.08134	100.0
195.08469	1.4
197.12866	1.6
198.07516	1.1
198.09106	2.7
200.09192	8.7
201.10228	1.7
206.07608	0.6
210.07608	1.2
211.14427	2.2
212.09184	98.9
213.06544	1.0
213.15967	1.4
214.07236	1.1
215.11833	5.8
226.08687	1.6
227.08113	2.2
228.10446	0.8
229.09688	2.7
239.08115	1.5
242.10388	0.7
243.11304	7.9
250.09338	2.9
253.09787	1.7
254.08141	0.9
257.09222	2.7
271.10776	17.9
273.12268	0.8
281.09320	0.8
284.19739	0.9
286.17557	2.0
288.12189	0.7
289.11780	0.8
299.10306	4.1
310.21231	0.8
317.11380	7.4
320.15076	0.6
328.02896	0.6
331.12836	1.3
335.12378	3.8
363.15524	12.7
381.16364	3.7
399.17303	1.7
399.21677	1.1
399.25833	2.5
400.11627	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.6
59.50706	3.1
64.80055	3.1
67.05502	16.6
69.03442	5.0
69.07067	8.0
70.06591	10.6
71.51557	4.8
72.08144	6.4
79.05502	12.9
81.07055	16.2
84.08155	12.9
85.06560	5.0
88.30341	3.8
91.05464	13.4
93.07041	17.5
95.04972	8.9
95.08624	27.8
99.04485	4.2
105.07020	25.1
107.08614	11.2
109.06520	14.5
109.10170	14.4
111.08089	5.2
113.26962	4.0
117.07011	6.6
119.08594	26.3
121.06507	11.3
121.10165	7.6
123.08125	5.4
129.10304	4.0
131.00177	3.3
131.08621	4.5
133.10071	4.7
135.08015	8.9
135.11702	4.4
137.09634	10.4
144.07935	4.0
145.10139	10.3
147.08057	7.0
149.13237	3.8
153.18695	4.1
159.08128	3.9
161.09596	5.5
161.13145	3.6
163.11278	4.6
165.09116	55.8
171.11737	4.8
173.09660	4.8
173.13269	3.9
175.14841	12.3
182.56032	3.7
187.11325	5.5
201.16367	11.0
211.14886	5.1
229.15912	35.4
247.16954	30.6
249.14781	5.5
265.18030	100.0
281.19083	3.4
282.08575	5.7
282.22101	9.8
283.08350	9.0
316.30716	4.4
317.21118	5.5
374.69479	4.0
398.29819	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	398.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.05508	6.1
56.71576	1.9
57.03435	2.8
57.07078	1.6
67.05502	7.7
69.03448	1.7
69.07072	9.2
70.06582	6.6
70.73839	2.0
71.04985	5.2
71.12526	4.1
79.05495	14.1
79.72535	1.6
80.41766	1.6
81.03419	2.1
81.07061	9.7
83.05017	1.8
83.08613	6.7
84.04513	2.0
84.08141	7.0
85.02895	4.6
85.06541	17.3
86.09711	3.3
91.05476	16.2
93.07048	90.3
94.10078	1.7
95.04974	4.3
95.08611	10.7
97.06551	1.6
98.09703	2.1
102.05502	1.6
105.07045	13.1
105.91164	1.9
107.04964	1.9
107.08605	51.1
109.10162	19.2
110.06029	2.2
115.92112	1.7
117.07045	2.7
119.08594	15.3
120.09343	2.1
121.06513	5.7
121.10142	4.7
123.11753	3.3
127.03943	1.9
129.10252	2.3
131.08557	2.1
133.10161	5.7
135.08121	1.8
135.11702	100.0
136.12097	2.6
137.09618	7.9
143.08614	2.5
145.10130	7.2
147.08040	4.1
147.11700	9.1
151.11217	4.8
152.10638	1.8
157.10159	2.8
159.11659	3.6
163.64436	1.8
165.09137	8.5
168.26866	1.8
171.11758	1.8
173.13295	4.3
180.98000	1.8
183.10167	22.1
188.46703	2.2
201.16434	5.5
221.15367	2.4
231.13850	6.5
247.16975	18.3
249.14824	4.6
250.09497	2.0
299.19946	2.5
320.04105	1.6
348.90619	1.9
398.26828	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	398.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.5
55.05513	4.1
56.05036	9.1
57.03446	20.6
58.06607	3.2
59.05011	2.4
60.04515	8.2
60.05645	2.1
61.02930	9.8
67.05498	5.2
68.05036	10.3
69.03091	2.8
69.03439	49.0
69.05815	2.1
69.07079	23.1
69.87064	2.1
69.87347	8.6
70.06600	100.0
70.20275	1.8
70.67500	2.0
71.01366	3.3
71.05003	4.5
71.06926	4.7
72.08170	21.4
73.02919	21.5
74.06073	6.5
79.05499	4.5
81.03420	7.3
81.07060	2.7
84.04509	18.1
84.08152	66.6
85.02914	72.5
85.08463	4.6
86.06068	16.3
86.09714	44.8
87.04475	29.1
87.10004	2.2
88.04000	3.3
91.03947	3.8
91.05481	6.8
93.07048	4.3
95.01318	2.0
95.04947	3.9
95.09913	1.8
96.04540	2.2
97.02301	3.5
97.02903	54.7
97.72079	2.1
98.09708	11.9
99.04440	4.9
99.08049	1.9
99.10030	2.7
101.07186	4.1
102.05525	4.4
103.03942	2.8
103.05499	2.9
105.07051	3.1
106.02916	1.9
107.04961	2.7
107.66750	2.0
109.02908	3.2
109.07634	3.0
110.07178	18.3
110.09683	3.5
111.08058	6.7
112.07685	2.4
112.08705	4.7
113.07112	2.2
115.03941	48.7
115.08679	4.4
116.07103	3.0
119.04904	2.3
119.08550	2.2
120.08090	17.6
121.02850	8.7
121.06522	2.3
124.03935	6.5
124.07584	5.3
125.04294	2.9
127.03936	12.6
127.08684	1.9
129.10229	25.1
129.80603	1.7
130.05005	1.9
130.06555	2.4
130.08659	2.1
133.04985	57.2
136.06216	2.8
136.07574	11.8
137.06033	2.6
139.08690	1.9
140.14377	5.6
145.04971	28.9
146.06099	2.1
147.04388	8.7
150.07645	6.1
156.07672	2.0
158.15346	1.9
163.06062	17.9
173.12920	3.4
194.08232	2.6
197.10371	2.0
197.12779	2.7
201.11290	3.0
223.06007	2.7
223.09514	2.7
231.12212	2.5
241.07196	4.6
259.08133	4.6
277.09039	2.1
277.15427	2.4
295.10291	4.3
392.87027	2.1
398.13626	8.5
398.22604	3.1
398.27762	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	397.383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.9
57.07077	16.9
64.27878	1.2
65.45278	1.4
67.05179	2.1
67.05508	20.6
69.07071	24.8
69.25887	4.4
69.26314	8.2
71.08635	15.1
79.05497	12.7
81.06593	2.7
81.07058	44.7
83.08616	12.9
85.10179	7.1
85.54007	1.5
86.44620	1.2
91.05476	11.4
93.07045	20.6
94.66875	1.4
95.04980	1.7
95.08610	46.1
97.10170	9.4
97.10690	1.6
98.21618	2.7
99.11706	1.5
105.07031	23.4
107.08591	21.4
109.10158	28.5
111.11708	6.4
117.07012	2.2
119.07799	2.1
119.08586	19.6
121.10149	15.6
123.11712	11.0
125.13247	2.2
131.08560	1.5
133.10136	16.2
135.11696	25.2
137.13251	5.2
145.10141	4.5
147.11685	50.7
149.13251	15.4
151.14833	3.2
159.11716	5.9
161.13252	42.5
163.14836	5.5
165.16403	2.9
173.13290	2.2
175.14822	18.3
177.16418	3.1
187.14827	3.8
189.16348	7.0
201.16460	3.9
203.17963	8.8
215.17963	10.4
217.19606	2.6
229.19568	4.2
243.21127	6.1
247.24266	2.1
257.22659	5.5
261.25812	4.9
275.27353	2.4
287.27319	3.5
299.27429	1.7
301.28979	2.3
315.30359	2.6
397.38312	100.0
398.38779	2.3
408.25998	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01909	2.3
57.02033	2.8
65.81201	3.2
69.48163	18.6
69.48835	2.5
70.06596	3.8
83.46780	2.5
98.97582	4.7
110.07148	3.0
112.89608	5.6
120.01164	2.9
121.06531	5.0
180.08781	2.9
193.78519	2.5
219.01781	5.4
237.03008	3.4
241.32872	2.7
241.69931	2.9
398.08521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1495
Annotation	2-Methylthioribosyl-trans-zeatin
Peak:m/z	Relative Intensity
54.52765	0.4
54.53195	0.4
55.01867	0.5
55.09489	0.4
57.03447	2.1
57.07058	0.7
61.02931	0.5
63.30558	0.5
67.05490	1.4
68.05016	0.9
69.03447	0.9
70.06605	2.5
70.64259	0.9
71.01341	0.5
72.08169	0.7
73.02912	0.6
84.04466	0.5
84.08131	1.9
85.02890	1.5
86.09692	1.1
97.02877	0.7
116.47117	0.4
120.08113	0.6
122.91801	0.4
134.03682	0.7
134.04633	7.9
136.07599	0.6
140.02806	0.7
152.05669	2.1
158.07091	0.5
165.02336	4.9
167.02614	1.2
175.09726	0.4
181.05437	1.2
182.04973	100.0
183.05196	0.7
194.04967	2.4
200.09369	1.1
205.05449	2.4
216.04672	1.0
219.06950	1.0
221.08615	0.7
231.07013	7.9
233.07426	0.6
234.65161	0.4
248.09668	12.0
266.10721	86.7
267.10995	1.7
305.05222	0.4
321.94965	0.5
366.49551	0.4
398.14948	46.1
399.15244	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	7.6
57.07067	4.4
67.05502	22.1
69.07072	100.0
69.96236	5.1
69.96635	5.1
71.04986	10.3
71.08636	3.9
79.05479	9.6
81.07063	40.4
83.04973	3.6
83.08614	5.0
84.08131	3.1
85.06535	8.6
88.33723	2.1
91.05473	14.6
93.07037	9.4
95.08610	27.9
99.08080	3.0
101.09661	73.7
105.07037	13.5
107.08575	9.1
109.06553	4.2
109.10177	4.6
111.04421	3.0
111.08189	3.0
119.08602	14.4
121.10131	9.3
123.08035	3.8
123.11697	4.6
131.08557	3.3
133.10126	5.8
135.08060	4.2
135.11679	8.9
137.06023	2.7
137.13242	5.6
143.08559	2.8
145.10144	4.4
147.11699	14.4
149.09650	3.3
157.10031	2.8
161.13214	2.9
165.12767	11.6
178.17883	2.1
179.10513	2.4
179.14354	5.0
181.12215	5.5
182.81371	2.1
183.13780	12.6
197.15344	9.9
201.14842	5.6
277.14273	3.0
319.26157	4.4
329.24664	6.0
334.27359	10.7
343.16284	2.4
347.25836	36.4
379.28461	19.7
397.18887	2.7
397.38638	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	397.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
53.03949	5.6
54.31380	1.1
55.05507	1.4
57.06800	2.1
57.07080	35.7
67.05498	2.5
69.03429	2.2
69.07067	2.7
69.52422	6.6
70.56528	1.2
71.08633	75.4
77.03918	1.7
79.05489	2.0
81.07039	4.0
85.06531	1.1
85.10184	33.9
87.04469	2.8
89.06036	71.8
91.05489	16.1
91.36030	1.0
93.07050	30.9
95.04996	6.7
95.08595	3.1
98.09639	1.3
103.05460	5.8
105.04494	1.8
105.07034	4.2
107.04945	2.4
107.08580	4.5
109.10181	1.5
117.07023	2.8
119.04979	2.1
119.08611	5.4
121.06509	100.0
121.10156	1.3
123.11655	1.5
127.14833	3.0
130.08612	2.6
133.08612	31.8
133.10107	1.6
135.08067	3.3
135.11699	1.8
145.10188	1.8
147.08026	7.1
147.11748	2.2
149.09657	2.1
150.06746	1.3
163.11160	1.3
165.09126	51.8
177.11272	9.6
183.10161	4.2
209.11702	15.2
217.63968	1.0
220.02290	1.5
221.15213	1.2
227.12701	3.3
247.20583	5.3
271.15408	81.4
291.23300	5.9
297.29144	1.3
397.29449	3.1
397.38364	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	397.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	8.2
55.05507	46.6
55.47401	7.7
57.07084	15.6
59.04997	17.6
60.71215	8.0
67.05528	43.8
69.03413	23.3
69.07053	32.4
69.60459	50.0
71.04987	11.9
79.05505	47.3
81.07069	60.7
83.04958	29.6
83.08607	17.4
84.08138	9.2
85.02930	11.4
85.06535	50.5
86.67271	9.0
91.05484	77.8
93.07069	53.4
95.04953	21.1
95.08633	43.2
97.06510	16.7
103.05491	8.4
105.07034	100.0
107.08591	53.0
109.06540	17.3
109.10114	21.5
111.08111	47.4
115.05443	30.0
117.07035	54.1
119.08585	64.5
121.06505	14.5
121.10156	84.1
123.08047	15.6
125.09641	16.9
128.06157	12.9
129.06981	23.1
130.07829	9.2
131.08575	57.8
133.10101	30.6
134.99065	7.6
135.08028	28.0
135.11766	8.8
137.09595	9.4
141.07008	15.2
142.07793	14.3
143.08578	66.1
144.09341	14.2
145.10130	48.3
147.11708	21.0
149.09616	31.8
151.11214	13.9
155.08580	15.2
156.09277	12.4
157.10162	29.7
159.08081	33.2
159.11696	19.6
161.09673	8.5
163.11212	14.4
165.09169	8.7
167.10696	53.8
169.10118	12.4
171.11684	29.3
173.13268	12.8
175.11176	29.9
179.08551	20.3
181.10049	16.5
183.11736	17.5
185.09517	10.4
185.13185	9.6
192.09460	11.4
193.10037	9.9
195.11705	22.4
197.13298	18.4
201.12852	9.4
205.10208	8.5
207.11778	19.6
209.13205	13.1
211.14807	11.5
213.12679	16.0
221.13274	20.0
223.14761	14.4
225.12852	11.6
227.14348	9.1
233.15379	13.0
237.16402	8.7
291.86374	7.8
305.70804	8.0
346.28204	8.0
397.27411	11.9
397.38141	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	397.2225
Annotation	CHEBI:69890
Peak:m/z	Relative Intensity
51.02376	2.8
53.03930	3.7
55.01859	2.6
55.05512	9.3
56.05037	2.0
57.03431	5.9
57.07076	3.5
59.04994	3.2
60.04532	1.7
61.02925	2.4
65.03944	3.3
67.05508	29.4
68.05035	3.7
68.39456	1.4
69.03434	14.5
69.07068	26.3
70.06597	15.1
70.91060	3.8
71.04996	30.5
71.28957	1.3
72.08131	1.5
73.02909	2.3
73.06554	2.5
74.06079	1.5
77.03896	1.7
79.05492	17.2
81.03419	6.0
81.07059	40.5
83.04976	3.6
83.08620	8.4
83.29288	1.4
84.04517	2.0
84.08144	16.1
85.02907	13.7
85.06569	2.0
86.06084	8.4
86.09705	6.7
87.04434	1.9
89.06027	4.4
91.05478	16.8
93.07049	44.0
95.04964	25.4
95.08606	25.5
97.02898	10.8
97.06544	5.9
97.10169	2.6
98.09682	5.7
99.04460	3.3
103.05496	2.3
105.07034	34.3
107.04977	3.1
107.08601	100.0
109.02851	3.5
109.06521	8.2
109.10157	53.3
110.07181	4.7
111.08082	47.2
114.10275	1.7
117.07020	4.6
119.08585	54.5
120.08086	4.4
121.06509	8.5
121.10139	25.3
123.04415	2.0
123.08069	4.5
123.11765	7.5
125.09641	37.0
127.03917	5.9
127.11253	3.0
129.07025	2.6
129.10260	3.8
130.07779	1.6
131.04915	2.3
131.08566	15.3
133.10156	23.2
135.08096	4.3
135.11694	37.5
136.06168	1.5
136.07574	2.9
137.05952	6.9
137.09633	2.9
140.14336	2.7
143.08560	4.2
145.10120	31.3
147.08070	9.3
147.11694	65.1
149.09634	5.0
149.13280	5.6
151.07567	2.0
151.11169	2.4
153.12738	30.4
157.10121	6.7
159.08110	1.9
159.11673	12.1
161.06010	1.6
161.09665	6.5
161.13249	3.7
163.11221	5.3
165.09091	2.8
165.12769	6.7
166.05151	1.7
171.11736	2.1
173.13249	3.9
175.11249	9.0
175.14822	9.0
176.14334	2.6
179.10675	2.4
180.96169	1.7
187.14812	1.7
189.12726	2.0
189.14786	3.0
189.16393	39.3
191.17969	3.7
193.15912	6.5
199.14832	7.0
207.17458	7.2
210.81566	1.7
217.15912	35.5
227.10031	1.6
235.07593	1.7
235.16940	31.4
253.17999	16.0
340.18060	1.5
343.57544	1.8
353.10233	1.9
379.16000	2.9
379.21155	4.5
397.16611	7.2
397.22058	19.5
397.26392	4.3
410.22467	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03254	0.4
53.03947	1.2
55.01867	0.5
55.05505	1.6
67.05495	1.7
69.03432	0.6
69.07061	1.5
70.06584	1.4
70.66043	1.2
72.08172	0.5
79.05507	2.3
81.07052	3.0
83.04963	0.8
84.08128	0.8
86.09708	0.5
91.05475	6.7
93.07044	15.8
95.04955	1.5
95.08604	1.7
97.06506	0.5
98.09708	0.5
102.67191	0.4
103.05473	6.1
105.07038	4.1
106.07383	0.5
107.08594	1.9
108.08122	1.7
109.10133	0.9
110.06055	0.6
110.09618	0.4
117.06930	0.6
119.08529	1.4
120.08112	0.5
121.06503	93.0
121.68796	0.4
122.06833	0.6
122.09667	0.6
123.08007	0.5
131.08528	1.0
133.06508	1.3
133.10115	1.1
135.11682	2.7
136.07568	0.4
136.11186	1.0
145.10159	1.0
146.09647	0.5
147.08038	0.6
147.11589	0.5
148.11208	1.3
150.09216	0.6
150.12724	0.6
152.10649	0.4
159.07993	0.5
162.12782	36.5
164.14355	1.0
171.11693	0.4
178.15912	9.8
184.17082	0.7
192.17430	0.8
209.35641	0.4
212.78854	0.4
221.15338	0.8
225.14688	0.7
228.13884	1.0
247.11186	0.4
254.15433	0.5
256.17062	0.6
276.23138	0.6
282.18527	65.7
283.18903	1.2
284.20120	2.6
298.21658	46.5
299.21930	0.8
326.21170	5.7
355.60172	0.5
396.28958	100.0
397.29248	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	396.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55365	1.5
54.56023	1.5
55.05512	1.8
57.07080	28.9
69.07078	3.7
71.08635	28.7
73.06544	6.4
73.33716	1.4
73.42346	1.5
75.65078	1.5
81.07019	2.9
83.08627	4.2
85.10186	24.2
89.06033	100.0
91.05482	2.5
95.08599	1.8
99.11729	3.5
105.07015	2.0
107.07082	2.0
133.08609	45.6
133.18835	1.7
137.09578	1.6
141.16388	3.7
151.09639	3.1
177.11215	10.1
185.18991	4.6
195.12239	2.5
229.21642	8.1
239.14897	25.6
273.24213	3.9
350.38229	1.9
379.30563	52.3
383.87030	1.7
414.63989	1.6
422.63892	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	394.1979
Annotation	Leu-Phe-Asp
Peak:m/z	Relative Intensity
52.51094	0.4
55.05513	2.4
56.05036	1.6
57.03424	0.7
57.05830	0.6
60.04509	0.8
61.01149	0.5
67.05499	1.3
68.05035	0.4
69.03429	1.2
69.07065	7.5
70.02945	0.7
70.06593	15.3
71.04993	2.2
72.08156	20.4
73.02910	0.6
73.08494	0.7
74.02441	0.7
74.06076	1.1
77.00616	0.6
78.03800	0.6
79.05499	1.0
81.03404	0.5
81.07072	0.5
84.04496	3.6
84.07638	0.6
84.08144	12.3
84.08636	0.9
85.02906	4.2
85.08486	0.5
86.03314	0.4
86.06084	2.5
86.09707	100.0
87.04462	0.6
87.05589	0.6
87.06402	0.9
87.10039	1.6
88.03992	1.9
91.05445	2.1
93.07047	1.2
95.05000	0.7
96.04501	0.5
97.02892	1.4
97.04018	0.4
98.06087	0.4
98.09688	7.6
102.05495	0.6
103.05446	2.9
110.07150	2.6
112.08734	0.8
114.05536	0.7
114.09175	0.6
115.03951	0.4
115.08668	1.0
116.07140	0.5
118.03275	1.1
119.03605	0.5
119.04930	1.1
120.08107	92.1
121.06543	0.8
121.08422	1.3
122.06046	0.5
127.03909	0.9
129.10263	5.2
130.05052	0.9
134.04491	0.8
136.07565	4.4
138.05487	0.5
138.06610	0.4
140.14322	2.5
141.10226	0.6
145.02872	0.6
147.04459	1.0
147.05861	1.9
147.75520	0.4
148.06133	0.9
150.09116	0.4
156.04729	0.5
157.03233	0.6
158.15373	0.9
165.05466	0.7
174.05739	0.6
175.04228	1.3
177.05437	0.6
182.08070	1.4
185.16487	11.5
186.12645	0.5
202.08627	2.0
213.15997	8.0
216.10318	0.9
232.08401	3.5
232.13335	25.7
233.16492	45.4
234.16740	1.1
247.12883	3.9
255.11763	0.4
261.15988	13.1
262.16373	0.8
263.10574	3.6
264.10928	6.0
281.14917	0.7
321.19348	0.9
325.42819	0.4
376.16125	1.8
393.71161	0.5
394.13132	0.6
394.18118	0.8
394.23129	0.7
394.34180	0.5
394.72180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.05506	1.8
56.05028	2.6
56.96581	0.6
57.03418	1.2
57.36948	0.6
58.06598	2.9
67.05515	2.8
68.05019	2.0
69.03419	2.4
69.07072	3.4
70.02940	0.6
70.06590	6.8
71.51025	0.7
72.08149	2.8
73.02915	1.0
73.06535	0.7
74.06074	5.3
81.03418	1.5
82.06613	0.6
84.04496	2.5
84.08147	47.1
85.02917	6.5
85.08460	0.9
86.03237	0.8
86.06066	3.0
86.09717	2.9
87.03320	0.9
87.04446	0.8
91.05475	1.1
97.02914	3.0
98.06049	0.7
98.09698	1.0
100.31054	0.6
102.05535	0.6
103.03928	2.0
105.05430	0.7
109.02855	0.9
109.10178	1.7
112.07612	0.6
114.05543	0.7
115.03914	1.2
119.04937	2.0
119.08179	1.9
120.08096	6.7
124.07616	0.5
126.12794	34.4
127.03951	2.8
129.10257	2.3
130.05000	3.3
133.07625	0.6
134.05998	0.9
136.07588	4.2
138.05530	0.5
140.07129	0.8
144.13875	0.5
145.04948	1.8
147.04405	3.7
156.17471	5.1
158.53844	0.6
166.08720	0.9
174.18546	37.5
186.14900	100.0
187.15189	1.2
194.08174	0.7
214.72482	0.5
230.11473	2.8
232.11871	0.7
233.12213	1.8
234.99025	0.8
237.02808	0.7
249.16002	0.9
276.13345	0.7
324.17819	0.7
378.12802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08732	0.3
53.03932	0.9
53.63548	0.3
55.01875	0.6
55.05492	1.4
55.71193	0.3
56.05019	1.1
57.03430	1.9
57.07074	4.0
58.18502	0.4
59.05000	0.4
60.04516	0.8
61.02934	1.7
68.04997	0.4
69.03432	7.6
69.07063	0.5
69.87028	0.5
69.87422	1.3
70.02938	0.8
70.06586	4.3
71.04980	1.1
72.08153	6.7
73.02889	0.9
73.06555	1.9
73.08420	0.4
74.06094	0.4
81.03419	2.7
81.20729	0.3
82.02929	0.4
82.06575	0.9
83.04967	0.9
83.06089	0.5
83.68499	0.3
84.04503	4.2
84.07713	0.4
84.08148	5.6
85.02905	15.9
86.03212	1.3
86.06058	0.7
86.09319	0.3
86.09711	3.6
87.04482	2.2
91.03934	1.1
91.05442	0.6
96.04475	1.3
97.02892	23.7
98.03237	0.7
99.04430	0.7
100.07624	6.0
102.05515	1.5
103.03941	3.2
104.04274	0.9
107.04986	0.4
109.02887	2.0
110.03211	0.4
110.07162	1.1
112.07610	0.5
114.05516	3.5
115.03924	4.0
118.08641	1.5
119.04910	0.8
120.08102	12.9
124.07604	6.6
126.00919	0.4
127.03936	2.4
128.04262	0.5
129.10228	2.9
130.05011	3.2
131.05359	0.6
131.16977	0.3
132.06526	0.8
133.04965	2.7
135.08022	0.3
136.07552	1.2
137.07909	0.3
142.08618	1.3
145.04964	2.2
146.05261	0.4
147.04376	1.4
148.06070	0.9
156.77292	0.4
157.04950	0.5
160.06047	5.2
160.92760	0.3
214.10738	7.0
219.14925	5.0
220.98991	0.4
230.07481	0.4
232.11795	100.0
233.12169	0.9
247.14621	2.0
274.51675	0.4
302.94513	0.4
304.97388	0.5
306.69498	0.4
307.45123	0.4
394.17059	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	394.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01866	0.4
55.05514	0.4
56.05035	0.7
57.03436	2.9
57.07084	0.8
57.89199	0.4
59.04998	0.4
61.02932	3.4
62.16413	0.3
68.05060	0.4
69.03432	9.6
70.06573	0.7
70.74832	1.0
71.04971	0.5
73.02918	1.0
74.06084	5.3
81.03430	2.8
82.02948	0.7
84.04510	2.1
84.08131	0.4
85.02909	14.3
85.37254	0.4
87.04467	4.5
90.66953	0.4
91.03970	1.8
96.04499	2.3
97.02897	15.1
98.06058	15.3
98.20689	0.4
99.04463	0.8
102.05544	0.6
103.19618	0.4
109.02896	1.8
114.05547	5.3
115.03940	6.9
124.07592	17.1
127.03928	2.0
132.06563	1.1
133.04965	4.8
136.07584	0.6
140.07104	0.5
142.08643	26.6
145.04962	1.3
148.55530	0.3
152.07080	0.9
164.07114	0.6
170.08151	0.4
178.08829	0.4
188.09178	21.9
214.10754	1.1
232.11807	100.0
233.12173	1.2
238.03868	0.4
246.03946	0.4
263.07230	0.5
283.84164	0.4
327.61026	0.6
352.85931	0.4
394.17047	19.6
405.54285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60553	0.5
53.03941	1.3
56.05026	0.9
57.03438	1.4
61.02921	1.8
67.34068	0.5
69.03434	7.0
70.06585	2.3
70.90078	1.2
72.08146	0.6
74.06084	4.6
74.09085	0.6
79.05504	3.0
81.03404	2.0
82.06590	0.6
84.04507	1.0
84.08140	1.8
85.02907	9.6
86.09705	1.0
87.04477	3.3
88.80888	0.6
91.03940	1.7
91.05500	0.7
96.04502	1.4
97.02887	11.6
98.06054	10.8
99.04437	1.0
103.03941	1.4
103.05478	2.2
105.07033	100.0
106.07338	0.7
109.02878	0.9
114.05536	3.2
115.03926	4.4
122.09671	56.1
124.03947	0.5
124.07600	10.5
127.03889	1.4
128.88646	0.6
130.05067	1.1
133.04970	3.7
136.07591	0.6
142.08633	16.7
145.04968	1.2
147.04427	1.0
170.08171	0.6
182.04562	0.8
188.09193	13.7
188.10802	1.0
232.11801	62.3
261.85181	0.6
341.08731	0.7
346.50784	0.5
376.49130	0.6
394.16995	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	393.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.4
53.64539	0.9
55.01873	11.2
55.05516	3.9
57.03427	5.4
57.07079	23.5
59.78321	0.9
67.05503	1.4
69.07063	3.7
70.75755	1.0
70.76083	1.4
71.08640	23.4
81.03425	13.7
81.07069	1.4
83.08624	3.5
85.10188	13.7
89.06027	0.8
95.08620	1.7
97.02875	1.1
97.10164	2.5
99.04446	1.5
99.11725	2.0
102.23840	0.7
107.79908	0.8
109.02885	45.7
109.10202	1.3
109.24371	0.8
110.03330	0.8
113.06021	1.3
113.13274	1.2
115.03930	8.9
123.04456	2.7
127.03926	100.0
134.35799	0.8
141.05476	5.9
141.63272	0.9
155.07018	2.3
167.10675	0.9
168.06622	1.1
169.08632	6.8
176.90846	0.8
183.10153	9.5
197.11761	8.0
211.13315	7.6
211.53947	0.9
225.14871	7.5
239.16435	9.2
253.18037	13.0
267.19620	12.0
281.21103	10.3
295.22739	7.4
309.24240	8.1
313.64450	0.8
323.25787	6.2
337.27335	7.7
393.33670	50.1
394.34216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.7
55.01871	4.0
55.05517	24.5
57.07074	12.8
59.04985	3.7
65.03947	2.9
67.05511	36.5
69.03448	3.6
69.07080	24.0
69.79625	16.7
71.08638	6.3
78.78995	3.1
79.05503	39.3
81.07063	65.1
83.04990	6.7
83.08607	9.1
85.06535	4.2
91.05489	58.1
93.06483	5.1
93.07054	79.6
95.04980	55.1
95.08617	59.5
97.06530	13.1
97.10117	3.6
98.06120	3.4
98.98479	7.4
99.01587	3.1
100.57053	3.0
105.04542	2.9
105.07043	100.0
107.04997	3.2
107.08611	61.0
109.06543	15.8
109.10159	31.1
115.05450	5.4
117.07040	24.0
119.06145	3.6
119.08593	89.3
121.06537	22.7
121.10160	44.5
123.08086	7.2
123.11714	14.2
128.06271	9.5
129.07033	19.4
130.07802	7.4
131.08594	46.5
133.06516	5.6
133.10149	58.5
135.08029	5.3
135.11734	19.1
137.09625	5.9
141.07007	4.8
142.07777	20.4
143.08554	39.2
144.09341	11.7
145.10141	80.6
145.11298	4.1
147.08156	3.1
147.11685	20.0
149.13307	6.1
154.07765	5.4
155.01082	17.4
155.08539	13.5
156.09357	10.2
157.10143	63.0
158.10873	4.6
159.08063	4.1
159.11713	48.8
161.09627	19.3
161.13292	8.1
163.11180	6.3
165.07045	4.0
167.08623	7.0
168.09404	4.5
169.10168	20.1
170.10907	6.1
171.11667	21.3
173.09584	5.1
173.13280	24.2
175.11186	10.9
175.14827	16.3
177.12773	3.9
179.08551	8.1
181.10176	8.6
182.10890	5.5
183.11699	20.9
185.13263	13.3
187.11232	7.2
187.14832	12.2
193.10150	5.2
195.11763	11.4
196.12502	4.1
197.13313	12.8
198.14146	3.5
199.14798	8.0
201.12721	4.3
201.16429	12.2
207.11668	4.3
209.13246	16.2
210.13853	3.8
211.14827	15.4
213.16364	6.0
221.13225	7.1
223.14796	7.0
225.16434	7.0
235.14871	5.0
239.14410	3.8
253.15921	5.5
265.19617	4.8
281.18982	3.6
304.26196	4.1
375.26752	7.6
376.26328	3.5
393.27914	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	393.2059
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
53.00300	0.5
55.05505	0.3
55.66745	0.2
57.34276	0.2
65.03940	2.9
67.05515	0.3
69.07068	2.4
69.16897	1.4
69.17323	0.8
81.07057	0.5
82.33611	0.2
84.76491	0.2
87.08967	0.2
91.05438	0.4
91.81911	0.2
93.03405	1.9
95.01351	0.4
97.10179	0.2
118.17125	0.2
121.02872	2.4
121.06509	0.9
125.69711	0.2
131.01282	4.3
147.04437	1.5
149.02347	100.0
150.02696	0.8
151.03867	0.3
155.01065	0.3
163.03908	2.9
163.32811	0.2
167.03409	77.0
168.03726	0.5
175.03870	0.3
177.05496	0.4
181.04897	0.4
189.05408	0.3
190.04814	0.3
191.07068	0.6
205.08578	0.4
217.08638	0.7
231.13901	0.3
269.08093	56.1
270.08383	0.7
273.14877	4.6
283.09619	2.4
325.14331	0.8
337.14413	1.6
393.20596	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	393.2058
Annotation	Isocycloglabrol
Peak:m/z	Relative Intensity
53.00299	0.4
53.91602	0.4
57.07070	2.4
61.07850	0.5
65.03616	0.6
65.03944	11.8
69.07062	0.6
71.08627	1.6
71.51985	0.5
73.06541	0.5
81.07048	0.7
83.08639	0.4
85.10162	1.1
89.06026	6.2
93.03411	11.1
95.05006	0.6
95.08627	0.6
100.95216	0.5
102.10132	0.5
104.34544	0.4
105.03449	0.5
105.07058	0.6
109.10133	0.8
124.58316	0.5
133.08617	2.2
161.02318	10.4
177.11185	1.1
179.03398	100.0
180.03734	0.8
217.08604	29.2
220.77951	0.5
235.09662	22.2
239.14949	1.3
273.14838	1.8
281.08090	16.2
337.14352	28.2
338.14542	0.7
354.08585	0.5
393.20590	11.1
393.25580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05566	0.9
51.97638	0.8
53.03950	1.4
55.01873	1.3
55.05510	5.1
56.05046	4.9
57.03429	1.9
57.07053	1.0
58.06610	1.1
58.52935	0.8
60.04514	3.3
61.01138	2.0
61.02923	1.8
67.05524	5.0
68.05047	1.1
69.03435	7.0
69.07078	9.3
69.45465	3.7
69.45869	1.8
70.02937	2.7
70.06596	50.6
71.04999	5.4
71.06107	3.3
71.06930	4.8
72.04510	2.0
72.08159	20.4
73.08495	0.9
74.06091	1.3
77.00623	2.0
77.92377	0.8
78.03751	1.2
79.05490	3.1
81.03402	2.9
81.07066	5.8
81.07456	1.1
82.06571	1.2
83.04991	2.1
83.06082	2.6
83.08625	2.1
84.04504	7.6
84.08152	41.1
85.02907	21.8
85.04849	1.0
85.06533	2.3
85.08479	1.6
86.06071	17.7
86.09711	100.0
87.04445	1.2
87.05592	5.6
87.10029	3.5
88.03986	2.2
91.05489	2.4
93.07054	4.5
95.05014	1.5
95.06055	1.0
95.08617	9.7
96.04490	1.8
97.02901	8.2
97.06503	1.3
98.06065	3.2
98.09689	10.5
99.04472	1.3
100.06812	1.0
101.06019	2.0
101.10851	1.4
102.05506	2.0
103.05463	2.5
105.07066	1.4
106.06589	1.0
107.04987	1.2
107.08575	3.0
109.02858	1.4
109.10150	2.5
110.06030	1.0
110.07175	7.7
112.08721	3.5
113.06044	1.2
114.05529	11.4
115.03929	3.0
115.08690	5.6
116.07071	1.6
118.03249	8.4
118.06499	1.2
119.04949	2.8
120.08114	57.7
121.03008	0.9
121.06482	2.5
121.08457	3.5
121.10118	5.3
122.09610	1.0
123.11723	2.6
124.07568	1.6
127.03913	4.0
129.05478	1.1
129.10252	15.1
130.03242	1.1
130.05023	5.5
130.08633	1.8
130.10587	1.0
131.05310	3.0
131.07031	1.0
133.06079	6.6
135.11700	1.8
136.06142	1.7
136.07565	3.4
137.07915	1.7
137.13214	3.1
138.06566	1.0
140.14299	5.0
141.06502	1.2
142.08656	1.0
143.11832	1.7
145.04979	4.1
146.05956	1.5
147.04431	3.3
147.05865	13.7
147.07693	1.6
147.11284	2.1
149.07448	2.0
150.05557	1.1
152.07103	1.5
155.11874	1.4
156.04784	2.6
156.07785	1.1
166.08649	1.1
167.04527	1.2
172.07632	1.4
174.05811	6.3
175.04219	13.1
177.16380	10.0
183.14946	2.2
184.07190	2.5
184.15219	1.3
185.16505	3.0
188.07069	1.5
190.12209	2.1
192.06860	2.6
199.18001	7.2
202.08676	1.3
212.06776	1.7
213.16180	1.1
213.18509	4.0
216.06894	1.4
217.10040	0.9
223.27478	1.0
229.09407	2.4
232.08275	2.8
232.13336	11.9
233.14278	1.7
233.16502	24.0
245.09229	1.6
245.11432	1.5
246.11630	1.5
250.16096	1.5
261.15979	8.3
263.10614	48.0
269.09402	1.6
280.13031	3.0
297.08713	1.0
313.12006	1.2
315.09750	2.4
320.18680	1.4
342.17877	1.6
367.28949	1.0
375.12466	5.7
375.15622	7.7
393.12167	3.7
393.16693	4.6
393.21103	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	393.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05511	0.7
56.05032	0.6
57.07093	0.7
58.07857	0.5
58.99567	0.6
59.04995	0.6
61.01150	2.7
61.23029	0.5
62.35826	0.6
66.79632	0.4
67.05496	1.5
69.03429	3.5
69.07066	1.0
69.85159	2.1
70.06596	6.6
71.05004	0.6
71.06130	3.3
71.06454	0.6
72.04525	2.5
72.08160	4.6
76.02227	4.1
77.00629	3.6
78.03802	3.2
79.05526	0.7
84.04489	1.0
84.08144	4.9
85.01141	0.9
85.02907	8.3
85.06548	0.9
86.06071	30.7
86.09708	8.5
87.04451	0.5
87.05629	0.6
87.09978	0.5
88.04005	0.7
91.05500	0.6
95.04956	1.2
96.04514	0.9
97.02895	5.1
98.06034	3.2
98.09701	1.6
98.20935	0.9
102.03770	1.4
103.02139	0.7
103.05454	0.8
110.07177	0.9
113.04259	0.7
113.05991	1.2
114.05538	3.2
115.03925	6.0
115.08706	8.7
116.03475	0.6
118.02430	1.1
118.03246	18.5
120.04758	0.5
120.08109	14.3
124.07572	1.1
125.07101	0.9
129.00078	1.5
129.10243	2.4
130.03203	1.7
130.05028	1.0
131.05342	0.9
131.07115	0.6
133.06090	2.1
136.07584	0.8
140.14357	0.9
141.06587	1.0
142.08597	2.8
144.04811	0.9
147.01105	1.0
147.05870	28.3
149.07434	2.4
150.05408	0.7
150.94676	0.6
156.04767	4.0
157.03204	3.3
157.04315	0.6
166.08585	0.5
174.05852	8.1
175.04237	21.3
184.09738	1.0
192.06883	5.5
216.06911	1.0
219.11606	1.2
233.16544	5.0
234.07991	0.8
241.09680	0.6
245.09593	1.5
246.07953	1.1
246.14442	0.8
261.15918	2.5
263.10623	100.0
273.09006	1.3
315.52948	0.5
320.18723	0.6
372.63763	0.6
375.15848	23.1
393.12744	1.0
393.20728	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
57.07070	2.1
61.83125	0.7
62.51700	0.8
65.63649	0.7
67.05500	2.0
69.07060	1.0
70.06590	0.8
71.08640	1.8
71.51824	1.1
79.05504	1.4
81.07059	1.8
91.05479	1.2
93.07049	1.4
95.08633	1.8
105.07031	2.6
107.08633	1.1
117.06944	0.7
119.08556	1.4
121.02843	1.2
121.10153	1.2
135.11751	0.8
140.41052	0.9
145.10062	0.8
149.02364	17.6
167.03412	1.8
182.37173	0.7
183.11594	0.7
197.13309	0.8
221.13397	1.0
391.24554	100.0
392.25134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.05523	5.9
56.05022	1.5
56.96536	1.5
57.03428	4.0
57.06004	1.1
57.07064	1.8
57.67066	1.1
61.02916	1.5
62.68273	1.1
67.05494	4.2
69.03435	13.2
69.07071	26.5
70.06595	6.3
71.04979	4.4
72.08170	1.2
73.02947	2.0
79.05482	3.2
81.03413	11.8
81.07046	5.1
84.04491	1.7
84.08143	5.1
85.02908	59.4
86.09722	2.3
91.05469	3.2
91.06367	1.1
93.07042	4.7
94.33669	1.1
95.04961	1.7
95.08624	3.0
97.02893	16.6
98.09682	4.8
99.04455	5.5
103.03948	100.0
105.07029	4.3
107.08561	2.2
108.04488	1.8
109.02887	13.3
109.06500	1.8
109.10148	1.9
111.11715	4.0
115.03930	4.3
117.39082	1.2
119.08577	1.5
120.08117	1.8
121.06533	6.0
121.10158	1.6
127.03921	25.4
129.07034	1.5
137.05966	1.5
140.14330	2.1
145.04984	14.1
145.10178	1.7
149.02354	4.9
150.02673	3.7
150.09132	1.5
157.05009	2.9
177.05499	2.6
187.06004	1.9
201.44930	1.2
211.06068	1.8
229.07068	17.4
245.39682	1.3
247.08147	8.3
392.20987	4.1
392.25809	2.7
392.72290	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01869	4.6
55.05504	2.8
56.05040	6.8
56.96569	14.2
57.03429	4.5
60.04525	3.4
61.02917	8.1
63.51270	2.3
66.91869	2.3
68.05047	3.1
69.03429	22.8
69.07066	3.3
70.06600	54.9
71.04997	4.6
71.51023	3.0
72.08163	11.3
72.59274	2.6
73.02905	6.5
74.02435	5.3
74.06089	6.7
81.03415	18.7
84.04494	10.2
84.08157	29.2
84.96045	5.6
85.02911	85.2
85.08495	2.6
86.06080	3.8
86.09703	24.1
87.04462	2.5
88.04020	2.4
91.05482	8.3
95.93386	2.2
96.04501	3.3
97.02896	31.6
98.06069	6.4
98.09695	3.5
98.97586	32.8
99.04480	6.5
101.40524	2.2
102.05549	3.9
103.03322	4.4
103.03955	55.7
103.05460	7.1
107.04967	6.3
109.02908	17.7
110.07163	7.0
110.97567	6.4
112.08771	4.2
114.05560	2.4
115.03949	11.5
115.08738	2.8
116.07096	4.1
116.98618	12.8
119.04929	5.6
120.08118	100.0
121.06518	15.1
121.08400	2.8
124.99213	2.4
127.03927	35.1
127.08691	3.0
128.24243	2.0
128.98610	6.4
129.10245	9.8
130.05019	50.9
130.06493	4.1
130.08781	2.3
130.10767	2.1
132.10217	3.0
134.04489	4.4
136.06143	2.9
136.07579	11.4
138.09116	3.4
140.07050	2.8
143.00168	7.1
145.01740	3.1
145.04976	30.0
146.99615	5.0
147.04410	16.9
147.07657	3.3
147.11259	3.0
150.05591	2.7
152.02245	3.0
152.07114	2.2
156.10245	4.2
157.04973	8.1
158.99648	10.2
159.54675	2.2
161.01263	4.0
161.02957	3.5
162.05444	3.8
166.05356	7.4
166.08644	47.6
166.09978	4.4
170.99683	6.6
173.02893	2.3
175.11867	3.5
177.00739	6.2
181.04973	2.3
182.03537	2.2
189.00755	11.2
191.10237	4.0
200.13934	3.9
201.00682	4.4
206.11742	3.8
207.01698	3.0
207.68007	2.6
212.06140	2.7
219.01811	14.6
224.05583	3.1
224.43507	2.1
229.07103	14.3
231.05247	2.8
232.11818	3.9
237.02858	17.2
238.03906	3.9
249.16138	4.1
252.05812	3.2
261.06866	2.9
279.07623	14.8
280.07681	2.6
281.10553	3.0
281.59955	2.8
282.08514	9.8
321.84695	2.8
349.13583	3.7
363.17471	2.9
375.09491	6.5
375.15906	3.1
376.12320	6.0
393.10867	20.0
393.17181	20.3
393.22525	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	391.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22853	0.9
53.75008	1.0
55.01867	1.1
55.05510	1.7
56.04787	1.8
56.05035	20.1
56.96558	2.5
57.03431	2.9
58.06601	7.7
59.04981	1.3
59.73687	1.1
60.04524	3.8
67.05499	1.6
68.05038	1.4
69.03427	3.2
69.07056	3.1
69.77440	2.0
69.77849	4.9
70.06594	13.6
71.08629	2.2
71.38360	1.1
72.08159	6.4
74.06082	73.9
76.02226	4.2
79.05497	2.8
81.03426	2.0
81.07058	1.8
84.04504	21.1
84.08147	13.1
85.02907	4.7
85.06534	1.4
85.08469	1.5
85.83809	1.1
86.06072	4.2
86.09707	77.1
87.05595	2.0
87.10050	1.3
90.05566	2.7
91.05497	3.9
95.05002	1.5
96.04509	2.2
96.71296	1.0
97.02882	3.3
98.06052	3.1
98.09686	6.0
98.20837	1.4
98.97569	4.5
100.07600	1.4
101.07143	28.2
102.05551	3.9
110.07179	2.0
110.97561	2.1
116.98629	1.7
119.04976	2.1
120.08118	1.9
121.06459	1.2
124.07600	1.0
124.11259	2.6
126.09146	2.8
126.12780	2.8
128.98651	1.0
129.10236	4.6
130.04990	4.0
130.08679	1.1
132.10204	3.0
133.10139	3.7
136.06245	1.5
136.07602	2.8
142.03235	1.3
142.12279	11.9
143.08147	1.1
143.11821	10.1
147.04411	4.9
147.07666	2.3
149.02354	12.6
152.05667	1.6
152.10678	2.1
153.10043	1.0
158.53938	1.1
159.07664	12.0
159.11333	1.1
160.54893	1.1
164.10718	1.3
167.03323	2.2
169.13391	2.2
173.12898	2.2
177.08720	56.2
179.04913	1.7
183.03084	1.9
187.07193	2.0
187.14421	100.0
189.12325	1.1
190.21017	1.1
210.56119	1.1
215.13911	38.9
219.01730	4.2
237.02852	4.8
244.09419	1.2
254.14951	2.2
260.09488	8.7
260.59961	2.5
261.10107	1.2
272.15976	6.1
288.11945	2.3
300.07501	1.2
305.73068	1.2
308.08914	1.4
312.15393	1.8
316.18710	5.9
318.08667	2.7
320.67352	1.4
325.17877	2.0
332.53018	1.3
373.20807	17.5
381.68542	1.2
391.14719	1.7
391.19324	2.2
392.22552	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	391.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55061	2.0
53.03938	4.3
55.01866	7.3
55.05506	5.0
57.03436	3.9
57.07063	6.3
61.02914	5.0
64.78069	2.1
67.05499	6.5
68.99768	2.6
69.03149	2.1
69.03436	22.6
69.07043	3.2
70.06579	6.8
70.63517	6.1
71.04997	31.7
71.08628	4.9
73.02902	6.9
79.05479	8.7
81.03419	25.8
81.07056	12.2
83.04964	7.7
83.08605	6.6
84.08138	6.7
85.02910	49.6
85.06544	12.4
87.00820	18.7
91.05488	10.0
93.07032	7.9
95.04968	14.3
95.08582	7.1
97.02895	17.9
97.06525	4.5
97.10177	10.8
99.04468	10.7
103.03902	2.1
105.01868	10.9
105.07028	10.4
107.08601	42.1
109.02882	20.4
109.06503	6.4
110.07170	2.8
111.04458	2.4
117.07020	3.8
118.96265	2.7
119.08557	4.8
121.06506	6.9
121.10129	3.7
123.08058	3.3
123.11705	4.1
125.09635	71.9
127.03924	40.0
129.01834	3.5
131.08595	2.1
133.10114	4.7
134.63274	2.0
135.50929	2.0
137.02303	3.1
137.06029	2.3
137.09589	2.3
141.06764	1.8
143.10681	100.0
145.04948	14.3
145.10109	5.6
147.02925	3.3
149.02371	49.7
151.07526	3.8
155.08626	2.3
159.02872	11.1
167.03354	4.9
167.10631	11.2
169.04956	5.0
179.10674	4.6
185.05968	3.8
189.03917	4.1
191.10666	2.5
197.04427	6.9
211.36902	2.1
231.05042	5.2
233.11696	5.1
248.79840	2.1
299.58340	2.1
387.90314	1.9
391.15237	2.9
391.25455	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	391.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.9
55.01870	6.2
55.05507	5.3
57.03434	4.6
57.07066	4.5
59.04994	1.9
61.02920	4.6
64.18762	1.1
67.05505	6.9
68.99804	2.8
69.03427	21.2
69.07092	2.9
70.06590	4.1
71.04998	26.5
71.08617	3.9
71.52086	1.4
72.08173	1.3
73.02909	5.4
73.06552	2.9
79.05484	5.0
81.03422	22.2
81.07053	8.2
82.89501	1.0
83.04988	9.6
83.08622	5.0
84.08152	3.1
85.02908	52.2
85.06544	12.3
86.09694	1.7
87.00833	19.9
91.03941	3.2
91.05476	6.0
93.07039	4.6
95.04967	13.0
95.08615	3.3
97.02895	17.7
97.06502	2.6
97.10167	11.1
99.04449	11.2
105.01864	13.8
105.07036	7.6
107.08598	39.8
109.02880	21.7
109.06528	2.8
109.10168	1.7
110.87756	1.3
115.12998	1.1
117.01842	3.4
117.07006	1.7
117.14959	1.2
119.04960	1.3
119.08572	3.6
120.08125	1.4
121.02908	1.7
121.06524	3.1
121.10132	2.3
123.08085	1.8
124.07582	1.6
125.09637	64.7
127.03923	32.1
127.04852	0.9
129.01846	2.0
131.08568	1.6
133.10130	2.8
135.08029	1.7
137.05974	2.3
137.09669	2.5
143.10680	100.0
145.04950	13.3
145.10176	2.0
147.02888	1.4
147.08040	1.8
149.02356	24.6
151.07562	2.7
159.02902	14.0
167.03386	3.9
167.10703	12.4
173.09628	1.8
177.04015	1.5
179.10689	1.5
185.05794	1.4
191.05238	1.8
191.10648	2.1
209.11649	2.1
211.11334	1.5
213.04094	1.5
213.98001	1.4
231.05011	5.3
233.11713	2.6
373.14899	2.7
385.02054	1.2
389.12216	1.4
391.19217	5.2
391.24933	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.6
55.01861	9.5
55.05497	7.0
56.05031	2.3
57.03425	6.2
57.07063	6.5
61.02919	7.8
63.73663	2.2
67.05489	7.5
68.99767	2.9
69.03434	21.2
69.07066	4.6
70.06583	7.1
71.04997	28.9
71.08633	5.4
71.52036	3.1
72.08138	2.0
73.02901	7.2
79.05490	7.6
81.03425	20.8
81.07072	14.0
83.04975	10.4
83.08616	4.7
84.08134	5.7
85.02914	50.6
85.06531	12.0
87.00832	20.4
91.03946	3.2
91.05483	8.3
93.07043	6.5
95.04961	12.4
95.08603	6.1
97.02896	17.4
97.06532	2.3
97.10159	10.7
98.09670	2.9
99.04446	10.1
105.01900	12.3
105.07048	10.7
107.08607	37.5
109.02885	17.2
109.10134	4.3
115.03899	1.9
117.01844	2.2
119.08595	4.2
120.08124	4.2
121.06499	4.0
121.10129	3.7
123.08056	3.5
123.11708	2.3
125.08778	3.8
125.09640	58.4
127.03924	25.6
129.01816	2.5
131.08582	4.5
133.10155	4.5
137.05954	4.2
139.26180	2.1
143.10683	100.0
145.04945	12.2
145.10124	3.2
147.11691	2.1
149.02347	49.5
151.07526	3.8
156.53990	2.1
157.10129	3.5
159.02924	10.9
167.03423	4.9
167.10695	14.0
191.10495	2.4
231.04988	4.7
233.11713	3.4
251.12698	3.5
335.19562	3.8
391.15195	3.1
391.24564	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	389.2174
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
51.16654	1.6
53.03952	2.2
55.05508	5.0
57.03427	3.0
57.07079	2.0
67.05514	10.8
69.03436	8.4
69.07076	12.1
70.06602	12.6
71.05001	4.5
71.52382	2.4
72.08158	2.2
79.05507	8.9
81.03407	10.7
81.07059	24.4
83.04991	12.1
83.08607	2.4
84.08171	8.8
85.02897	14.3
85.06556	4.7
86.09714	5.2
87.04470	8.1
89.76685	2.1
91.05489	9.2
93.07049	21.7
95.04946	2.8
95.08607	27.1
97.02910	4.0
97.06547	6.9
99.04485	4.8
99.08123	1.9
105.07036	18.3
107.08602	84.8
109.02908	3.7
109.06509	8.0
109.10166	21.3
111.04486	1.8
111.08089	4.9
117.07087	2.1
119.05938	2.0
119.08606	15.9
120.08107	4.8
121.06516	7.2
121.10145	28.6
123.08071	5.7
123.11717	45.6
125.09655	7.0
127.03928	5.7
131.08562	16.5
133.10149	35.4
135.08043	16.5
135.11694	20.9
136.07570	3.1
137.09575	1.8
139.11124	2.5
145.10132	10.3
147.11699	32.3
149.09677	5.1
149.13287	21.1
151.11201	8.9
153.09148	3.9
154.08586	4.9
154.26399	1.9
158.10899	6.9
159.11734	2.2
161.13297	2.4
163.11191	21.9
163.14839	31.7
166.08597	2.4
167.10678	5.2
169.08600	5.3
173.13274	48.7
179.14325	4.3
181.12231	5.9
185.11830	3.1
191.10730	14.5
191.14319	100.0
192.14442	2.0
209.11766	9.8
209.13460	4.3
209.15382	74.1
226.14397	2.1
227.12982	8.8
227.14671	4.2
227.16505	5.7
241.09836	2.3
255.11383	3.7
308.85889	1.9
329.11188	4.0
331.15918	2.1
348.40536	2.0
357.10922	3.2
371.17178	3.0
389.13208	3.1
389.20996	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	389.2171
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.01859	5.0
55.05504	5.7
57.03419	4.6
57.07068	2.2
57.50278	2.1
62.93619	2.3
67.05512	12.4
67.05803	2.3
69.03418	9.6
69.07070	16.4
70.06599	16.9
70.46426	5.0
70.46812	5.3
71.04981	4.4
73.02907	2.8
77.36436	2.5
79.05492	12.9
81.03410	16.1
81.07057	27.8
83.04992	13.8
83.08600	4.1
84.08142	8.8
85.02897	16.9
85.06526	4.9
85.95198	2.4
86.09689	8.4
87.04459	10.6
91.05470	13.6
93.07041	26.5
95.04950	3.6
95.08613	31.8
97.02875	5.4
97.06516	8.2
97.10230	2.4
99.04449	5.3
105.07034	23.8
107.04938	2.8
107.07887	5.5
107.08595	93.9
109.02895	6.2
109.06501	10.0
109.10159	19.1
110.06076	2.8
110.07155	3.3
110.09632	3.3
111.08083	5.9
113.05967	3.5
117.06971	4.2
119.08584	18.5
120.08101	5.8
121.06477	11.0
121.10150	39.2
123.08070	7.6
123.11703	50.8
125.09630	7.5
127.03907	9.6
129.10272	3.9
131.08553	17.4
133.10118	37.4
135.08029	19.2
135.11705	25.6
143.08519	3.6
145.10126	19.0
147.07959	2.5
147.11690	32.5
148.03989	4.6
149.09624	9.7
149.13264	18.7
151.11169	8.3
153.09058	3.0
154.08600	3.7
158.10872	6.8
159.11693	3.0
163.11160	27.9
163.14839	27.9
165.12851	2.4
166.08630	7.3
167.10689	5.9
169.08620	6.8
173.13271	46.5
179.14287	2.8
181.12178	7.8
191.10690	21.1
191.14305	100.0
209.11725	10.9
209.13495	4.4
209.15385	83.3
226.14420	3.4
227.12700	10.3
227.14713	6.4
227.16461	6.5
236.05510	3.0
241.05927	2.7
241.09691	4.0
255.11305	6.2
269.09277	3.0
283.10712	5.8
311.10056	3.4
329.11395	15.5
357.10788	9.1
371.16751	6.4
389.13324	6.5
389.20993	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	389.1809
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.03946	6.5
55.01870	8.3
55.05517	6.2
57.03441	4.5
57.07090	2.8
67.05508	9.2
69.03432	20.9
69.07063	14.1
69.74655	12.9
71.04992	11.3
79.05494	21.2
81.03423	41.9
81.07054	31.7
83.04963	3.6
85.02909	16.2
85.06546	9.5
91.05487	10.3
93.07047	52.4
95.04980	6.3
95.08613	10.6
97.02895	8.0
97.06522	12.3
98.20771	2.6
99.04465	22.4
105.07035	34.4
107.08604	61.5
109.02879	24.7
109.06527	12.0
111.08102	7.8
113.05984	7.7
117.07011	5.7
119.08598	13.6
121.06521	21.2
121.10150	48.9
121.11032	2.5
121.36744	2.2
123.08064	4.7
127.03924	22.7
127.07586	4.6
131.08580	4.3
135.08063	10.5
135.11682	14.7
139.11237	2.6
145.10144	42.9
147.11705	3.1
149.06027	4.2
149.09641	21.0
151.07481	4.6
155.08574	3.0
163.11189	100.0
163.12563	5.3
167.10680	32.8
169.08607	41.1
173.09642	8.5
174.60786	3.0
176.03445	5.2
181.12257	25.0
185.11751	11.1
191.10683	79.9
204.03072	2.5
209.11728	50.8
209.13670	3.0
222.03899	14.4
227.12773	57.8
265.17065	2.2
265.20486	2.2
311.15024	3.1
335.15039	2.8
353.15891	13.6
357.10916	6.8
371.17050	20.3
375.12000	3.0
390.89029	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2168
Annotation	Debiloside B
Peak:m/z	Relative Intensity
55.05511	5.0
58.98505	2.1
67.05499	8.9
69.03440	14.7
69.07070	10.2
69.48204	15.5
69.48516	4.0
71.04996	12.2
79.05499	15.8
81.03426	5.2
81.07050	20.3
81.49345	2.4
83.04985	8.8
83.08620	3.3
85.02900	7.7
85.06547	3.1
87.80280	2.8
91.05484	5.5
93.07040	14.4
93.59843	2.1
95.08614	15.5
97.02884	3.3
97.06506	4.1
97.10160	9.9
98.20763	3.7
99.08121	2.3
105.07039	8.0
107.04949	2.7
107.08605	39.6
109.06519	4.5
109.10134	12.7
111.08082	8.0
115.07534	3.8
119.08571	5.3
121.06491	6.0
121.10146	13.9
123.08073	3.4
123.11709	4.1
124.06551	2.2
125.09658	14.5
131.08598	3.7
133.10153	12.8
135.08028	13.6
135.11693	4.5
137.09615	4.4
143.10606	3.2
147.11684	7.8
149.09586	6.7
149.13274	6.0
151.11235	11.6
153.09131	4.9
163.11183	5.3
163.14828	9.9
165.12770	4.3
173.11845	2.8
173.13248	19.0
191.10593	3.4
191.14325	33.8
202.09070	2.3
209.15363	32.9
227.16423	100.0
228.16721	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.5
55.01877	7.8
55.05515	6.5
57.03440	5.6
62.74162	1.1
67.05505	9.4
69.03439	18.9
69.07069	12.6
69.73988	3.1
69.74377	3.0
71.04997	10.6
71.20926	1.2
73.17736	1.1
79.05498	20.1
81.03426	45.4
81.07070	31.8
83.04971	2.1
85.02921	11.0
85.06571	9.9
91.05497	13.7
93.07056	51.2
95.04984	4.8
95.08625	8.2
97.02906	5.1
97.06533	12.4
98.20837	1.7
99.04476	22.4
101.06035	1.2
105.07047	34.6
107.04970	3.3
107.08607	59.7
109.02888	23.2
109.06548	14.3
109.10184	2.0
109.42290	1.3
111.08098	9.3
111.11770	2.2
112.60677	1.1
113.06022	5.4
117.07037	4.9
119.08599	14.5
121.06519	23.1
121.10162	48.3
121.11060	2.6
123.08147	6.9
126.80640	1.5
127.03104	1.9
127.03944	25.2
127.07569	4.6
130.07838	2.9
131.08578	4.2
135.08080	10.9
135.11717	13.5
137.09673	1.6
139.07541	1.6
139.11203	2.9
143.08549	2.4
145.04944	1.3
145.10144	40.3
147.08112	1.4
147.11732	5.0
149.06049	1.7
149.09636	19.7
151.07544	3.6
153.12830	1.6
163.11203	100.0
167.10692	35.9
169.08626	39.4
172.17313	1.2
173.09633	8.9
181.12259	30.4
185.11751	14.1
191.10695	76.1
196.10622	1.3
209.11761	43.7
227.12810	65.7
311.15033	1.6
335.14841	1.5
353.16000	12.4
371.17099	19.9
373.66446	1.4
407.79950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1809
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.03944	7.5
55.01872	9.6
55.05510	6.5
57.03436	4.7
57.07076	3.3
67.05515	9.6
69.03438	20.6
69.07067	14.5
69.74232	8.5
70.06588	2.3
71.05009	10.5
79.05493	19.1
81.02939	1.9
81.03423	45.8
81.07059	35.3
83.04980	5.0
85.02910	15.9
85.06549	9.9
91.05483	12.3
93.07048	51.7
95.04980	7.6
95.08595	8.4
97.02903	6.6
97.06544	12.6
99.04463	20.9
101.06002	2.3
101.12347	1.6
105.07033	41.3
105.07697	2.9
107.04937	1.4
107.08599	57.4
109.02884	25.6
109.06521	14.8
109.10153	3.0
111.08097	6.9
113.06012	5.7
117.07046	6.6
119.06053	1.7
119.08575	18.2
121.06524	20.5
121.10159	54.7
123.08077	8.0
125.05993	1.9
127.03923	26.7
127.07590	3.2
130.07788	2.2
131.08589	4.7
135.04378	1.5
135.08096	8.4
135.11713	15.3
137.09563	2.3
139.07506	2.4
139.11212	3.9
143.08554	1.8
145.10139	39.0
147.11702	5.2
149.06010	3.3
149.09634	20.5
151.07567	3.0
163.11192	100.0
165.09143	1.3
167.10689	34.1
169.08615	37.4
172.01888	1.5
173.09633	10.1
181.12234	31.6
181.13712	2.6
181.18230	1.5
181.53975	1.4
182.05251	1.5
185.11734	13.8
191.10677	74.9
208.99469	1.7
209.11745	45.1
227.12788	61.1
289.14203	1.9
311.15027	2.9
341.26794	1.8
353.15952	11.5
371.16980	18.8
381.18896	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1814
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.03933	2.3
54.00793	0.6
55.01871	1.3
55.05513	1.6
57.03428	1.3
67.05495	2.3
69.03434	3.5
69.07059	2.1
69.67970	4.1
70.06592	1.1
71.04983	2.4
72.08109	0.7
79.05496	4.2
79.76144	0.7
81.02987	0.9
81.03419	9.4
81.07048	6.8
82.64811	0.7
83.04961	1.2
84.08138	1.0
85.02900	3.2
85.06531	1.6
89.03922	1.1
91.05480	3.0
93.07049	11.7
95.04959	1.4
95.07344	0.8
95.08597	2.6
96.08112	1.7
97.02889	2.0
97.06521	2.9
99.04468	3.3
105.07037	7.7
107.08588	10.2
108.93832	0.7
109.02886	5.4
109.06516	2.7
110.09683	2.5
111.08019	1.1
113.05978	1.3
116.04987	5.5
117.06977	1.9
119.08586	3.6
120.08108	2.5
121.06515	3.1
121.09329	1.0
121.10153	11.1
122.06027	1.6
123.08018	1.1
127.03914	4.4
127.07542	0.8
135.08087	1.5
135.11682	3.4
136.07571	2.6
137.09689	0.7
138.09155	2.3
139.11220	1.0
144.04460	14.0
145.10138	8.2
147.11694	1.1
148.07547	0.7
149.09589	4.3
151.07552	1.2
162.05531	5.5
163.11180	19.6
166.08658	5.4
167.10709	5.1
169.08617	7.3
172.03938	63.3
173.09653	1.7
181.12230	5.8
185.11714	1.9
190.04945	0.8
191.08992	0.7
191.10683	13.3
204.06566	100.0
205.06886	1.1
209.11728	8.7
227.12790	10.1
353.15756	1.8
357.10257	1.5
357.14481	24.9
371.16769	4.8
385.75800	0.8
389.13123	1.2
389.21091	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1804
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
51.43516	1.5
53.03934	6.9
53.86305	1.7
55.01869	6.8
55.05500	5.0
57.03430	4.5
57.07062	2.5
66.23409	1.7
67.05523	9.2
69.03445	15.8
69.07083	9.6
71.04988	9.5
79.05499	17.6
80.24606	1.7
81.03426	38.3
81.06591	2.3
81.07059	31.2
81.36361	1.6
83.04972	3.5
85.02902	12.5
85.06527	7.4
86.09706	4.2
91.05479	11.6
93.07050	49.2
94.07382	2.3
95.04985	4.1
95.08596	7.4
95.43407	1.7
97.02926	8.8
97.06531	11.2
99.04469	17.0
99.05554	2.5
105.07046	33.9
107.04993	1.8
107.08598	60.0
109.02900	19.7
109.06514	14.1
111.08062	6.3
113.05984	5.5
117.07053	4.6
119.08609	13.0
121.06534	23.6
121.10158	48.6
123.08076	3.5
127.03937	22.1
127.07568	4.8
130.07729	2.3
131.08554	5.3
133.10144	3.5
135.08051	9.8
135.11731	15.2
136.07603	2.7
139.11201	4.1
145.10139	32.1
147.11652	5.5
149.05855	1.9
149.09634	19.6
155.39441	1.7
159.09160	2.9
163.11198	100.0
167.10686	31.1
169.08603	26.5
173.09602	10.3
181.12238	25.1
185.11763	9.6
188.07047	3.9
191.10687	72.5
209.11742	37.9
227.12801	49.3
227.16310	3.1
261.49045	1.8
305.11108	2.3
353.15961	8.6
357.10834	2.6
371.17163	10.4
409.20883	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	388.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.4
54.89038	5.8
55.01843	6.8
55.05502	11.3
57.69886	5.6
59.60802	5.8
61.87697	5.3
63.07385	5.9
67.05492	15.7
69.03426	15.7
69.07056	17.8
70.06583	19.5
71.52282	7.6
79.05485	24.4
81.07067	46.1
83.04971	10.1
84.04506	7.8
84.08137	26.1
85.02846	8.3
91.05476	21.6
91.39434	6.2
93.07036	29.9
95.04945	8.6
95.08609	15.2
97.06520	7.2
105.07013	30.7
107.08617	13.5
108.04517	8.7
109.06477	6.9
109.10175	10.5
119.08595	12.4
120.08111	6.6
121.06496	24.5
121.10105	10.0
122.06045	10.0
123.04497	7.9
123.08115	6.7
129.07013	15.6
131.08568	15.2
133.10143	13.9
134.05948	10.2
135.08080	7.4
137.95686	6.7
143.08571	8.5
144.81888	6.0
149.05986	37.7
150.09076	9.1
155.08478	7.3
161.09607	8.3
190.12509	7.2
200.10721	12.8
216.13838	7.6
229.51564	6.5
241.14423	16.0
272.12781	16.6
289.25043	7.6
290.13867	100.0
307.26218	7.8
370.20441	9.1
388.17264	48.1
388.21686	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	388.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	38.1
56.05018	16.1
67.05503	48.7
69.07067	23.8
70.06618	75.9
70.33456	15.5
70.63653	46.4
71.04970	15.6
79.05491	39.7
80.57208	17.8
81.07053	63.9
83.04993	16.9
83.08629	21.6
84.04522	20.6
84.08141	56.7
86.04622	18.8
86.09686	19.0
91.05478	52.7
93.07038	55.1
95.08618	34.9
98.09660	15.8
105.07020	44.2
107.04971	21.0
107.08602	24.8
108.04492	19.7
109.10146	22.9
119.08607	24.6
120.08099	23.4
121.06496	27.8
121.10134	21.3
122.09705	24.0
127.73864	15.9
129.10220	26.6
131.08607	24.7
145.10155	24.6
148.07542	15.7
150.09175	18.4
157.10139	20.9
199.06615	16.1
320.11679	15.8
334.32010	17.0
370.19958	21.8
388.16702	83.6
388.21707	100.0
388.25665	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.5
56.05034	1.2
57.03447	0.3
58.06604	0.2
59.64381	0.2
60.04528	0.4
67.05506	0.3
68.43793	0.2
69.07069	4.7
69.94875	0.8
70.02941	0.3
70.06593	4.1
72.08151	2.1
74.06067	0.5
79.05472	0.3
81.07061	0.3
83.66553	0.2
84.04506	2.4
84.07637	0.4
84.08145	8.0
85.02904	0.7
85.08467	0.3
86.09705	100.0
87.10068	0.4
88.03998	0.5
90.05559	1.2
91.05490	0.2
95.04984	0.2
98.09669	0.5
98.21459	0.3
102.05543	0.5
110.07150	0.9
112.08743	0.3
114.05523	0.7
115.08669	0.4
116.07083	0.4
120.08124	1.1
121.06486	0.3
121.08421	0.2
121.10203	0.2
127.03950	0.3
127.08687	0.2
129.10228	1.5
130.04999	0.5
134.04529	0.2
136.07581	0.7
144.10205	0.3
145.04965	0.2
148.06024	0.2
149.05943	0.3
149.98532	0.2
157.13354	2.8
160.36412	0.2
161.09213	10.7
177.05457	0.3
185.12849	3.7
185.16438	0.3
186.07625	0.2
187.11000	0.2
199.18057	27.3
207.13777	0.3
225.07535	0.4
225.14789	0.4
225.19679	0.3
227.17537	24.1
228.17796	0.4
229.15422	0.6
256.08115	0.3
274.17603	3.0
298.21225	3.9
333.11624	0.3
339.12686	0.3
387.15457	0.6
387.21127	2.7
387.26263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57840	0.3
53.03934	0.4
56.05030	0.3
56.96564	0.3
66.85129	0.3
67.60013	0.3
70.06580	0.5
70.56032	0.9
70.61967	0.3
83.10175	0.3
84.04497	0.8
84.08152	3.2
84.58791	0.3
86.09698	1.1
91.05487	2.3
93.07047	5.2
95.04982	0.6
98.97638	0.4
100.43710	0.3
103.05486	3.0
105.04536	0.4
121.06509	100.0
122.06844	0.5
128.09366	0.3
129.10243	4.1
129.11134	0.4
138.09145	31.1
147.07646	1.0
159.40428	0.3
191.02046	0.3
191.16356	0.3
196.08421	0.3
200.14008	0.8
219.01779	0.5
232.80833	0.3
259.37045	0.3
269.14813	0.3
306.08902	0.3
311.30939	0.3
325.18170	0.5
370.21329	0.4
388.25626	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
55.05518	3.2
62.13449	2.9
62.21033	2.7
64.65027	2.6
65.03961	2.6
67.05509	16.8
69.07044	3.7
69.24018	13.7
69.24437	9.9
70.06584	6.3
72.08153	3.5
81.07068	4.4
84.08153	7.3
85.02906	5.3
85.06534	7.9
86.09705	13.4
91.05443	3.1
93.07044	6.5
95.04966	3.1
95.08617	100.0
98.20779	6.4
102.35412	3.2
103.37679	2.8
105.07052	6.6
107.08598	9.1
113.06014	12.7
119.08596	18.3
121.10146	6.7
123.08073	35.9
129.10321	3.8
135.11708	13.2
137.09662	3.1
147.08025	4.7
147.11713	7.6
149.09636	41.8
151.07576	4.5
151.14922	4.7
157.60976	2.8
161.13269	13.5
163.11198	10.1
165.12755	6.1
179.14331	3.2
189.12715	16.3
207.13821	65.4
208.26552	2.7
391.63266	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	387.2014
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03947	1.1
55.01887	1.2
55.05507	1.7
56.05032	1.1
57.03423	2.2
57.07063	0.9
58.06618	0.8
59.04998	0.7
61.02933	8.3
67.05517	2.8
68.05026	0.7
69.03430	8.1
69.06759	0.6
69.07074	4.8
70.06601	9.6
70.48676	0.9
70.49007	1.1
71.04996	5.5
72.08158	6.0
73.02910	1.1
79.05495	1.9
81.03419	3.6
81.07074	4.3
82.52841	0.5
83.04977	2.4
84.08149	9.7
85.02382	0.6
85.02911	22.7
86.06057	1.9
86.09712	27.3
87.04449	1.6
91.05473	2.9
93.07069	3.2
95.04958	1.8
95.08633	3.1
97.02898	5.9
97.06516	2.2
98.09684	3.0
99.04453	1.4
101.34889	0.7
103.03921	0.7
105.07037	6.0
107.08604	3.4
109.02871	2.3
109.06512	4.9
109.10155	1.7
110.07161	1.4
111.08085	1.1
112.08758	0.8
113.07128	0.7
115.07565	3.1
117.06976	0.7
119.08598	6.2
120.08130	3.4
120.08835	0.6
121.06507	1.9
121.08444	0.6
121.10161	5.0
123.08080	3.0
123.11702	1.6
125.07152	1.4
127.03955	3.8
129.10243	5.6
131.08569	0.9
132.10211	0.7
133.06454	0.8
133.10120	2.7
135.08067	0.9
135.11691	1.0
136.07578	1.8
137.07924	0.7
137.09621	6.6
140.14346	1.6
145.04958	3.6
145.10123	1.7
147.08054	2.1
147.11697	14.2
149.05832	0.7
149.09621	5.5
151.07564	2.2
151.11203	6.3
156.09355	1.8
157.09712	0.6
157.13380	3.5
159.11687	1.0
161.09593	1.3
161.13225	3.7
163.11182	2.0
165.12764	6.3
166.08669	0.8
171.11603	1.2
174.10400	2.0
177.12750	2.0
185.12897	3.3
189.11270	0.9
189.12776	5.7
203.13979	3.8
207.13802	7.9
209.10394	0.7
225.14868	100.0
226.15230	1.7
245.61682	0.7
277.71329	0.6
376.53360	2.6
386.72812	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.60709	3.3
53.03955	3.2
55.05509	6.2
59.04996	10.9
67.05496	10.7
69.03424	9.1
69.07069	22.1
69.43256	24.3
69.43626	7.5
70.06599	21.7
79.05482	6.6
81.07050	13.5
83.04958	5.9
84.08136	7.2
85.02893	10.2
86.09663	5.7
91.05494	8.2
93.07056	29.0
95.08596	6.9
96.32973	3.4
98.09670	14.3
101.06015	11.5
102.94586	3.3
105.07050	23.0
107.08590	45.4
109.06506	9.1
109.10165	5.3
119.08563	15.4
121.10153	10.7
123.08096	11.6
133.10086	7.0
134.04695	3.6
137.09544	4.2
138.79070	3.9
140.14374	6.6
147.08043	6.6
147.11671	13.1
151.11189	81.1
156.09325	4.5
161.09581	4.0
161.13298	11.5
171.11693	6.3
177.12692	3.8
183.18764	3.9
189.12741	14.3
207.11932	6.2
207.13814	100.0
207.15759	5.7
225.12964	8.0
225.14906	89.2
306.62265	3.2
310.96072	3.3
371.32239	3.9
384.61285	3.8
386.72348	11.3
408.60565	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	387.2012
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.24179	0.7
53.03949	2.0
55.05509	2.3
57.03435	2.1
59.05010	1.6
59.22730	0.7
61.02928	6.5
67.05512	6.2
69.03439	13.1
69.07064	9.7
70.06592	6.2
71.04996	9.8
71.51561	1.1
72.08138	1.6
79.05486	4.6
81.03424	2.9
81.07064	8.5
83.04977	3.3
83.08633	1.9
84.08150	2.6
85.02914	12.0
86.09698	2.9
87.04464	1.9
91.05492	3.6
92.60870	1.0
93.07049	11.4
95.04985	2.0
95.08595	5.9
97.02911	3.2
97.06525	5.6
98.09668	4.5
99.04479	1.6
99.10019	1.0
105.07042	14.1
107.04939	1.4
107.08601	10.1
109.02863	2.2
109.06525	9.5
109.10177	5.8
111.04419	1.2
111.08112	2.8
113.05999	1.0
115.07571	7.8
117.07009	1.6
119.08588	13.3
121.06538	3.3
121.10151	7.1
123.04424	1.2
123.08091	8.2
123.11731	1.9
127.03935	2.9
131.08586	1.7
133.06494	1.9
133.10139	10.0
135.08089	2.3
135.11732	2.6
137.06013	1.5
137.09637	14.9
139.11192	4.0
140.14297	2.1
141.09114	1.6
143.08548	2.0
145.04950	2.1
145.10158	2.4
147.08060	3.6
147.11697	13.7
149.09628	10.9
151.07578	3.9
151.11203	14.7
156.09384	3.3
159.08035	1.5
159.11732	2.6
161.09595	5.3
161.13254	7.2
163.11186	4.7
165.09151	3.8
165.12793	3.0
171.11694	5.7
174.10458	4.9
174.66486	1.0
177.12756	3.3
181.12230	1.0
189.09126	0.9
189.12764	18.1
207.10275	2.5
207.13824	24.2
225.14877	100.0
226.15161	1.1
296.94061	0.8
300.05386	1.0
328.49670	0.9
366.81055	0.9
386.72668	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	387.2009
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01879	1.9
55.05508	6.5
57.03445	1.7
59.04997	2.2
60.04541	1.6
60.14062	1.1
61.02937	7.3
61.10693	1.1
67.05515	7.9
69.03439	6.7
69.07072	7.3
70.06598	25.8
71.04987	9.9
71.06936	2.2
71.52161	1.8
72.08157	16.2
73.02899	1.4
75.75119	1.1
79.05495	4.6
81.03423	3.2
81.07058	7.1
83.04984	5.3
83.08640	1.9
84.04509	2.1
84.08150	9.3
85.02915	12.2
85.06544	1.5
86.09710	30.8
87.04487	2.0
90.85969	1.0
91.05484	5.2
93.07034	11.5
95.04990	2.6
95.08603	9.2
97.02898	4.7
97.06548	5.7
98.09700	30.5
99.10042	4.6
103.05504	1.5
105.07018	10.9
105.40688	1.2
107.04993	1.3
107.08595	10.3
109.06543	8.5
109.10158	2.9
110.07182	1.6
111.08105	2.5
112.08725	1.4
115.07577	8.0
115.08685	2.8
117.07001	1.8
119.08585	13.9
120.08155	6.6
121.06530	2.5
121.10150	7.4
123.08070	6.4
123.11777	1.8
127.03910	2.7
129.10243	4.0
130.06525	1.5
131.08536	2.3
133.06496	2.0
133.10161	6.6
135.08055	2.9
135.11699	2.0
137.09604	10.4
140.14360	13.5
141.14674	4.6
143.08278	2.1
145.02884	1.5
145.10071	2.6
147.08058	3.3
147.11714	11.1
149.09668	9.5
151.07553	5.1
151.11172	16.5
156.09361	1.6
158.15393	1.3
159.11710	3.3
161.09625	4.0
161.13261	10.3
163.11205	4.1
165.12747	2.9
166.08699	1.7
171.11700	4.1
174.10405	3.9
177.05478	3.4
177.12732	1.8
189.12753	13.5
197.10268	1.7
203.10289	1.7
207.13805	38.6
207.15784	2.2
225.14867	100.0
230.96420	1.2
231.17088	2.1
233.34077	1.2
245.18619	3.3
250.72855	1.3
256.16510	2.7
313.69772	12.6
314.19958	3.0
386.72656	36.2
386.77399	2.6
387.19373	1.8
387.22784	11.2
387.27194	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	387.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
56.05041	2.3
56.96548	0.4
57.03432	0.4
60.05641	1.2
63.33489	0.4
68.05032	1.2
69.03424	1.7
69.64941	2.2
70.06598	11.3
71.05001	1.2
72.08178	2.6
76.52026	0.4
81.03429	3.9
84.04508	100.0
84.08163	1.2
85.02905	1.9
86.09713	1.8
88.07676	0.6
89.44813	0.4
91.05516	0.5
96.04497	43.7
97.02895	3.6
98.06070	1.2
98.20767	0.8
98.97615	0.5
99.04472	1.3
108.68291	0.4
109.02880	10.4
109.03606	0.7
110.06058	2.1
110.97602	0.5
112.08745	2.3
114.05535	4.8
115.08636	0.5
119.04942	0.8
120.08125	0.6
126.05528	1.6
127.03921	8.7
130.05006	14.4
138.05487	4.7
145.04965	3.4
147.01537	0.4
147.04431	3.4
154.05019	1.1
157.10823	0.7
157.13634	0.4
169.13388	1.4
172.06125	0.7
175.11923	0.6
175.52962	0.4
180.06587	1.4
181.53162	0.4
192.06670	0.4
202.07051	0.6
203.10341	0.7
210.07614	0.7
211.15596	2.5
228.08652	7.2
228.10693	0.6
232.08183	0.8
238.07095	2.0
252.81364	0.5
256.08148	11.5
257.16235	0.5
272.40628	0.4
272.96060	0.4
274.09198	3.5
274.18716	1.0
320.02972	0.4
351.11935	1.0
369.12921	3.6
370.24341	0.4
387.10693	0.5
387.15027	0.6
387.27121	11.1
388.08395	0.4
390.61902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.2
53.03947	0.9
55.01863	0.1
55.05515	0.2
55.28265	0.1
57.03447	0.2
61.02914	0.1
65.03970	0.1
67.05527	0.2
69.03427	1.1
70.06599	0.2
70.81766	0.2
71.05003	0.2
77.03931	0.3
79.05497	3.9
81.03429	0.6
81.07079	0.2
83.04977	0.3
85.02912	0.3
91.05490	0.6
91.06005	0.1
93.07061	1.5
95.04980	0.9
97.02882	0.2
103.05479	2.4
105.07036	100.0
106.07366	1.0
107.08554	0.1
109.02898	0.1
109.10123	0.1
111.04464	0.2
119.04960	1.6
119.05863	0.1
119.08517	0.1
121.01598	0.1
121.06521	2.4
127.03942	0.1
129.05486	0.2
131.08609	0.2
143.08589	0.1
147.06537	0.2
211.89349	0.1
376.08771	0.1
386.72595	0.1
387.18396	0.2
387.23004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.7
55.78969	1.6
56.05033	2.3
57.03438	20.0
59.05003	3.3
60.04514	3.3
61.02928	5.3
69.03432	74.0
70.06600	21.9
70.69202	4.9
72.08167	10.8
73.02919	6.0
81.03419	5.1
82.48975	1.8
84.04499	2.2
84.08156	13.8
85.02911	100.0
86.09689	8.8
87.03925	3.0
87.04475	45.9
91.03951	3.3
91.05456	2.9
95.05008	1.9
95.67392	1.7
97.02900	66.8
99.04486	3.0
103.03934	2.4
109.02879	7.4
110.07177	5.6
111.04370	1.7
115.03934	84.8
120.08120	8.2
120.38853	1.6
121.06509	3.9
122.03220	1.8
127.03926	17.3
129.10233	4.8
130.70415	1.6
131.00360	1.6
133.04968	99.7
136.07588	7.9
145.04961	41.0
145.06024	3.1
150.07628	9.0
163.06023	27.2
163.23717	1.8
207.12231	2.2
237.13361	6.7
241.07114	3.0
259.08014	4.9
277.09088	3.2
283.14432	3.1
295.10269	6.1
368.09879	1.8
368.13965	2.1
386.14294	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	385.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	6.0
55.05510	44.5
57.03438	28.4
57.07070	7.4
59.05006	8.4
65.03893	5.1
67.05506	55.1
69.03423	18.2
69.07079	32.2
70.06591	22.0
71.04995	97.6
71.51540	8.7
73.02930	6.9
79.05495	39.9
81.03436	11.4
81.07058	100.0
81.94771	6.0
83.04963	27.1
83.08614	21.1
84.08141	15.2
84.72263	6.3
85.02520	6.9
85.02919	78.1
85.06538	21.2
86.09710	6.8
87.04454	6.8
91.05477	50.0
93.07043	64.1
95.04984	26.2
95.08616	71.9
96.08924	6.0
97.06532	13.3
97.10170	13.7
98.09689	46.7
99.04494	10.3
99.08096	11.0
105.07029	76.3
107.04945	12.2
107.08593	87.3
109.06514	24.7
109.10168	61.6
111.04424	16.3
111.08077	9.5
115.05494	6.4
117.07024	11.9
119.08576	84.6
121.06511	21.3
121.10149	36.1
123.04494	6.8
123.08078	25.4
123.11711	44.1
125.09621	29.9
127.11183	14.7
129.05470	18.0
129.06995	10.5
131.08594	31.0
133.10130	52.7
135.08070	15.9
135.11678	48.9
137.09621	15.1
137.13281	7.7
139.11159	9.9
140.14333	20.1
141.09128	7.6
143.08554	22.4
143.10678	53.1
145.10144	44.4
147.08073	8.6
147.11664	61.9
149.02353	36.9
149.09644	20.9
149.13297	15.6
151.07524	5.8
151.11185	23.3
153.01830	9.9
155.08488	5.6
155.10699	13.9
156.09364	5.9
157.10133	26.3
159.11722	34.8
161.09605	12.4
161.13284	17.4
163.11201	15.3
165.12811	15.4
167.10641	9.5
169.10121	11.4
171.11739	14.8
173.09650	6.7
173.13283	14.0
175.11179	12.5
179.10753	9.5
179.14433	7.6
183.11743	14.2
185.13228	10.9
187.11240	7.4
187.14816	7.3
189.12819	10.5
189.16345	8.6
193.04950	20.6
193.12308	15.9
199.14844	8.1
199.43935	6.3
203.17924	17.4
205.12294	6.2
213.16405	5.3
215.18083	7.0
221.19028	23.4
231.17339	6.6
243.17514	9.5
245.04727	9.9
256.20605	18.3
257.19135	9.8
273.18671	6.3
275.20096	22.6
287.19962	8.3
312.18674	11.2
313.21585	15.5
331.22507	32.5
341.06494	6.2
349.14670	5.5
349.23730	28.3
367.25018	34.9
385.09439	45.5
385.17258	65.2
385.21594	43.1
385.25574	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	385.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01869	5.0
55.05510	6.6
57.03437	5.7
57.03666	0.9
65.03935	1.8
67.01870	8.6
67.05510	10.7
69.03427	13.4
69.07069	9.8
70.06599	2.0
70.47661	2.7
71.01369	0.9
71.04991	8.0
79.05494	23.5
81.07059	52.0
83.04972	3.5
85.02906	6.0
85.06541	2.3
91.05473	14.8
93.07043	70.3
95.01332	21.9
95.04955	4.9
95.08614	4.6
97.02895	10.3
97.06528	7.9
98.09707	3.0
99.04461	19.5
100.46557	0.8
101.06006	2.1
103.03929	1.0
105.07030	40.9
106.80791	0.8
107.04951	2.5
107.08596	47.5
109.06510	13.4
109.10123	1.2
111.00816	5.2
111.08089	9.5
113.02348	2.0
115.00275	1.6
117.07032	6.8
119.08585	16.3
120.74899	0.9
121.06508	20.8
121.10143	76.7
123.00776	1.5
123.08040	2.1
125.05964	1.1
127.07550	2.7
129.01830	4.8
130.07813	2.1
131.08591	5.2
133.10101	1.7
135.07118	1.4
135.08063	15.4
135.11696	18.0
135.93373	0.8
137.09605	2.0
139.07520	2.8
139.11189	2.4
140.14346	1.8
141.01825	36.4
143.08562	1.8
145.10120	41.3
147.08017	1.4
147.11700	4.3
149.05992	1.9
149.09621	20.8
151.07495	1.1
158.07249	1.3
159.02913	1.8
163.11182	100.0
164.11513	1.2
167.10687	17.7
169.08607	1.6
173.09633	10.4
181.12228	29.2
183.03011	1.0
185.11694	1.3
191.10670	93.9
201.03902	1.4
209.11732	19.8
215.05424	1.3
223.09404	1.6
227.05510	1.3
227.10577	1.2
227.12791	23.0
241.07359	1.1
321.13132	1.3
325.12640	1.2
327.10825	1.4
331.11786	1.0
349.12659	2.1
367.13840	9.3
384.71167	1.9
385.14816	10.1
385.20374	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01866	1.5
55.05508	0.4
56.05036	1.8
56.96551	0.3
57.03434	0.5
60.04507	0.8
60.05638	0.3
60.10103	0.3
61.02904	0.4
61.32993	0.3
65.03928	0.6
67.05510	1.4
68.05002	1.1
69.03428	0.8
69.07055	0.3
69.87169	1.3
70.02956	0.4
70.06596	7.8
71.06915	0.3
72.08157	2.8
74.06078	1.4
79.05489	0.6
80.04968	0.7
81.03413	1.2
81.07037	0.3
82.06586	0.4
83.04972	0.4
83.06099	0.4
84.04131	0.3
84.04508	3.0
84.07634	0.5
84.08142	8.5
85.02893	1.3
85.08470	0.3
86.06049	1.5
86.09698	3.3
87.05550	0.6
88.03979	0.5
91.05483	2.2
92.05002	0.5
93.04532	0.3
93.07026	1.0
94.06604	0.6
95.01339	0.8
95.04969	0.6
95.06077	0.4
95.08587	0.3
97.02882	0.6
98.06023	0.3
98.09679	0.6
99.04452	0.4
101.07130	0.5
102.05540	0.7
103.05447	1.1
104.05307	0.3
105.03366	0.4
105.07026	0.4
106.06552	0.5
107.04968	0.7
107.08540	0.3
107.81918	0.3
108.04485	3.4
108.08097	1.2
109.02881	0.4
109.05229	0.4
110.02406	0.4
110.06011	0.7
110.07164	3.5
112.08699	1.2
115.08641	0.8
118.06517	1.1
119.03656	0.8
119.04926	1.5
119.07332	0.3
119.08604	0.3
120.04469	4.6
120.08115	5.2
121.02877	1.4
121.06506	0.7
122.06036	1.6
123.04420	0.6
124.03967	0.6
126.05475	0.4
127.03864	0.4
128.03395	0.3
129.10252	4.1
130.05054	0.5
130.06511	1.1
130.08636	0.3
132.04527	0.3
132.08084	0.3
133.05171	0.4
134.06012	2.1
135.06818	0.5
136.03947	0.7
136.07573	3.9
138.05501	3.0
139.03856	0.4
143.11850	0.3
146.06036	2.7
147.04401	3.2
147.06696	0.3
147.07739	0.3
147.11330	0.4
148.03928	12.7
148.07585	2.3
149.02374	1.8
149.05913	0.5
150.05431	0.7
152.07065	0.4
154.05016	0.5
157.10876	0.4
158.09634	0.3
160.03922	0.3
160.07520	0.4
162.05457	2.8
164.07069	4.3
166.02690	0.4
166.05040	2.1
166.08578	0.6
169.13382	0.5
174.05536	1.4
175.03896	0.6
175.11694	0.3
176.07010	2.1
177.05501	0.4
178.04976	0.9
180.06535	1.4
182.08055	0.7
188.03386	0.6
188.07060	0.4
190.04945	1.9
191.05757	2.6
192.02890	0.5
192.06558	15.7
197.10356	0.4
198.07674	0.5
202.05042	0.7
204.06677	0.3
206.04552	0.3
207.02876	0.3
208.06049	1.2
208.09612	0.4
209.06830	10.8
210.07599	7.6
211.15543	0.4
217.08636	0.3
218.04568	0.5
220.04066	0.6
220.06038	6.8
220.07962	0.5
226.07037	2.8
230.04335	0.4
232.05930	0.7
234.09212	0.9
235.02350	0.5
236.05690	0.3
236.10651	0.4
237.12219	0.5
238.07108	16.8
246.03928	2.1
247.09837	0.4
248.05591	0.6
248.10675	1.2
249.11665	0.4
250.06967	0.5
251.42999	0.3
252.04964	0.4
258.02863	0.3
260.10684	0.5
264.05042	4.9
264.10336	0.4
266.06744	0.3
276.05438	0.4
276.08353	0.4
276.40393	0.4
277.13391	0.8
278.06580	0.5
278.11731	0.4
282.06064	1.6
288.05124	0.4
292.08154	0.6
306.11166	0.4
308.07663	0.7
320.07697	0.4
324.06982	0.6
336.07300	0.4
338.08655	1.5
338.14780	0.4
341.18015	0.5
348.07477	0.4
356.23947	0.5
366.08154	1.3
366.11920	1.1
367.12820	5.4
384.09183	100.0
385.09421	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01874	2.2
57.03434	0.4
67.05509	0.7
70.06592	0.7
70.46042	0.7
70.46394	0.7
79.05490	0.6
80.05009	0.7
80.67385	0.4
81.03416	0.7
84.08149	0.4
85.02894	0.4
91.05482	1.0
93.03412	0.5
93.07052	0.5
95.01328	1.2
95.04980	0.6
96.04497	1.3
97.02883	0.4
103.05473	0.9
106.06546	0.6
107.04927	0.6
107.54774	0.3
108.04468	3.9
108.08085	0.5
109.02869	0.4
110.06040	0.6
110.07154	0.9
112.98855	0.3
118.06564	0.7
119.03693	0.8
120.04470	4.1
120.08090	2.3
121.02829	0.8
121.05254	0.4
122.06039	1.3
124.03889	0.6
130.06529	0.7
133.05305	0.3
134.06049	2.3
135.03203	0.4
136.03957	0.6
136.07571	2.0
138.05492	1.7
146.06021	2.1
147.04424	1.3
147.06729	0.4
148.03928	11.8
148.07570	1.7
149.02361	1.5
150.05489	0.5
150.31735	0.4
162.05557	2.6
164.03400	0.5
164.07083	3.6
166.05034	1.5
166.36491	0.4
174.05591	0.8
176.07121	1.8
180.06593	1.7
182.08147	0.9
188.03517	0.6
188.07133	0.4
190.04921	1.9
191.03374	0.4
191.05791	3.1
192.02910	1.4
192.06575	11.5
193.01340	0.8
202.05014	1.2
206.04514	0.6
207.02979	1.0
208.06039	0.9
209.06842	12.9
209.08823	0.8
210.07603	8.8
218.04504	0.9
220.06029	6.4
226.07118	1.2
230.08101	0.4
232.06058	1.2
234.03998	1.0
235.02348	0.4
238.07109	18.6
246.04007	5.4
248.05563	1.6
250.07100	1.4
252.04970	0.6
264.05038	14.6
266.06665	0.4
276.08844	0.4
278.06610	0.6
280.08044	0.6
282.06067	3.7
290.06622	0.5
292.08154	0.4
308.07721	2.0
320.07642	0.9
324.07159	1.2
338.08685	4.9
348.07367	0.5
366.08246	1.5
384.09256	100.0
385.09604	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.2
56.05017	0.7
57.03429	0.3
57.07069	0.3
58.06315	0.4
58.06601	7.6
60.04518	0.4
62.59157	0.2
67.05506	0.5
68.05022	0.8
69.03428	0.5
69.07070	7.9
70.06600	3.6
71.51781	0.4
72.08163	1.2
74.06074	0.5
83.08620	0.2
84.04492	0.9
84.08144	3.3
85.02882	0.9
86.06068	1.5
86.09705	1.1
87.05621	0.2
88.03961	0.3
91.05488	0.6
97.02886	0.6
98.06034	0.3
99.04408	0.3
102.05553	0.3
105.07031	1.1
110.07161	1.2
112.08765	0.3
119.04897	0.3
120.08116	0.7
121.08389	0.4
122.09660	0.7
123.08109	0.2
124.11223	0.5
129.10255	1.1
133.05009	0.2
133.06374	0.2
134.05928	0.3
136.06261	0.2
136.07567	0.8
140.14490	0.2
141.10150	0.3
147.04414	0.8
154.12248	0.6
156.17487	11.9
172.17079	0.4
174.18542	100.0
175.18962	0.6
197.16479	0.5
198.16806	0.6
210.07582	0.5
217.08275	0.2
228.20892	0.2
235.82205	0.2
238.07030	0.3
284.99567	0.4
288.08890	0.3
309.15060	0.3
310.18518	0.4
322.18475	0.2
338.09140	0.3
340.19351	1.0
348.01022	0.2
358.00958	0.3
383.11292	1.6
383.24005	1.7
383.27960	0.5
384.09003	1.3
408.01114	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	13.2
57.07067	11.5
58.10883	3.8
67.05511	25.1
69.07063	12.9
69.58117	3.1
71.08620	13.8
79.05492	13.5
81.07060	51.9
83.08644	19.7
85.10165	5.2
90.39568	3.5
91.05486	17.3
93.07075	22.7
95.08614	38.6
97.10172	11.4
98.20795	8.2
105.07027	35.7
107.08611	20.6
109.10169	32.6
111.11709	5.9
116.96372	3.8
119.08598	22.0
121.10123	13.9
123.11741	17.8
125.13206	3.8
131.08580	5.7
133.10130	14.0
135.11723	31.0
137.13272	7.2
147.11707	50.7
149.13254	14.5
151.14906	5.6
158.99168	3.7
159.11658	10.2
161.13272	43.3
163.15015	3.6
173.13316	4.5
175.14842	14.8
189.16360	8.3
200.23276	3.9
203.17915	6.3
217.19528	5.7
229.28502	3.6
243.21156	9.7
257.22626	6.3
383.36841	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.01875	3.9
55.05515	26.9
57.03440	2.8
57.07076	12.0
67.05506	36.7
69.07068	15.6
71.05000	5.1
71.08630	6.6
71.51647	4.0
77.55191	2.8
79.05499	22.0
81.03430	3.6
81.07059	48.0
83.04971	17.2
83.08624	9.1
85.06551	7.5
91.05476	16.5
93.07047	32.4
94.37074	2.3
95.04978	5.9
95.08618	42.4
97.06529	21.1
99.04491	3.7
99.08096	5.0
105.07050	22.8
107.08607	43.2
109.06523	28.2
109.10168	27.9
111.04446	100.0
111.08096	9.3
117.07030	7.3
119.08571	13.6
121.06486	7.2
121.10164	20.2
123.08073	26.4
123.11718	5.2
125.06002	87.6
125.09610	3.0
127.07555	2.6
131.08580	7.9
133.10153	10.9
135.08046	26.1
135.11700	27.8
137.05986	76.1
139.07542	6.2
143.08592	6.1
145.10133	28.3
147.11684	11.5
149.09595	10.2
149.13225	6.2
151.07516	8.8
153.12732	22.5
155.14319	5.7
157.10124	6.6
159.11681	4.9
161.09627	10.0
161.13264	6.1
163.11208	26.2
163.14836	5.5
165.09113	5.7
165.12814	3.3
171.11778	4.2
173.11766	3.2
173.13171	2.9
175.11153	4.0
179.10724	4.3
179.14307	49.7
181.12244	87.9
182.13002	13.6
182.41171	2.5
193.12225	3.7
195.13814	35.4
203.14291	3.8
203.17976	5.9
205.19572	2.8
221.15463	6.1
221.18970	3.4
231.17424	7.5
243.10831	3.2
249.18544	10.8
250.40472	2.7
269.12457	5.2
277.18054	23.3
291.19568	10.2
293.21207	11.9
295.19128	2.7
309.20721	5.9
311.94363	4.0
319.26575	2.8
331.26205	3.1
347.25882	12.9
348.26694	3.6
349.27399	57.6
350.28021	17.0
365.26959	16.0
383.28094	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.05511	16.8
57.07066	9.3
59.05002	5.5
61.14326	1.8
65.03910	2.3
67.05502	32.7
69.03423	15.2
69.07057	8.5
70.82256	3.0
70.82623	4.2
71.04978	5.8
77.03942	2.3
79.05495	31.1
81.03418	2.3
81.07050	28.0
83.04973	7.8
83.08601	5.1
85.06532	6.0
86.26354	2.0
88.63374	1.9
91.05488	43.0
93.07044	100.0
95.04965	27.3
95.08616	38.2
97.06519	11.2
105.04533	2.9
105.07029	72.3
107.04950	2.2
107.08591	37.4
109.06509	23.6
109.10165	22.7
111.08093	6.1
115.05407	2.3
117.07029	8.7
119.08586	53.4
120.09344	2.8
121.06510	10.5
121.10155	41.1
121.11027	2.7
123.08069	26.6
125.09633	3.8
128.06206	8.4
129.06999	13.1
130.07770	4.9
131.08588	32.0
133.06512	8.8
133.10127	29.7
135.08066	22.0
135.11716	3.4
135.77792	1.9
137.05998	3.2
137.09587	10.7
141.06938	4.5
142.07800	18.9
143.08562	25.5
144.09337	5.5
145.06494	2.4
145.10118	37.8
146.07265	4.0
147.08043	26.3
147.11708	14.9
148.08762	3.0
149.09622	25.0
151.07545	36.8
151.11046	2.0
153.09039	2.9
155.08542	7.9
156.09328	7.2
156.21704	2.1
157.10143	42.4
158.10896	3.7
159.08051	9.8
159.11690	13.4
160.08865	3.8
161.09618	20.9
161.13284	9.4
163.11163	5.0
165.09103	35.3
167.08490	1.9
169.10173	5.9
170.10924	7.5
171.11748	7.0
173.09625	7.6
173.13245	7.7
174.10391	2.2
175.11186	21.4
175.14798	12.5
177.09132	13.5
178.09877	2.6
181.10072	2.4
182.10997	2.2
183.11707	7.0
184.43837	2.2
185.13246	17.3
187.11182	5.9
187.14893	2.9
188.11861	2.3
189.12724	9.6
191.14282	3.4
193.10197	2.5
194.10892	2.4
195.11693	4.8
197.13272	5.5
199.11252	6.0
199.14835	4.7
201.12724	9.3
203.10690	2.5
203.14304	33.6
207.11787	3.6
207.13817	13.6
209.13281	6.1
209.15382	5.6
211.11125	4.1
211.14803	4.4
213.12695	5.7
215.14293	5.3
219.13826	5.7
221.13385	4.1
221.15358	95.4
223.14856	3.2
225.12775	4.6
225.16444	3.8
227.14215	10.1
228.15306	2.2
229.15799	3.0
231.13792	5.1
233.15440	6.2
234.16136	13.3
237.14568	2.5
239.18109	2.2
243.13962	3.3
255.17424	3.6
267.17526	2.3
269.18900	2.2
273.16367	2.6
286.19391	4.7
287.20102	6.4
299.20129	6.2
303.19568	11.7
309.18643	2.5
327.19522	2.4
347.23624	3.0
365.24838	16.0
383.25797	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03925	5.4
55.05516	15.0
57.07061	6.4
59.05003	5.2
62.83905	2.5
65.03925	2.7
67.05510	31.3
69.03433	16.0
69.07058	7.8
69.24892	17.7
71.04984	7.9
75.99421	2.1
79.05501	30.1
80.95595	2.1
81.03377	2.9
81.07062	35.3
83.04976	6.2
83.08612	5.7
85.06502	2.3
91.04915	2.5
91.05480	39.5
93.07048	85.5
95.04973	22.7
95.08612	35.1
97.06536	13.9
98.20712	4.1
105.07033	74.9
105.17191	2.5
107.08602	46.3
109.06538	22.5
109.10153	18.3
111.08057	7.0
115.05463	3.4
116.06271	2.7
117.07023	12.8
119.08579	49.5
120.09389	3.2
121.06510	17.1
121.10155	36.0
123.08068	25.5
128.06224	7.6
129.07011	11.1
131.08548	29.5
132.09325	3.0
133.06482	7.3
133.10130	28.3
135.08070	23.6
135.11667	6.4
136.79480	2.1
137.05972	2.9
137.09654	12.2
141.06985	4.7
142.07788	18.8
143.08574	27.3
144.09346	5.2
145.10132	40.1
147.08073	20.3
147.11685	15.9
148.08861	4.6
149.09633	26.2
151.06429	4.3
151.07541	41.9
151.11258	2.5
153.09081	4.1
155.08574	5.8
156.09334	6.7
157.10146	40.2
159.08070	6.6
159.11705	16.7
160.08768	3.2
161.09645	22.9
161.13280	7.9
163.11156	8.2
165.09108	33.8
169.10112	8.4
170.10905	6.0
171.11702	10.2
173.09621	11.4
173.13264	9.7
175.11189	22.7
175.14877	8.8
177.09113	16.5
178.09900	2.8
179.08662	2.6
181.10155	5.3
183.11726	7.1
185.09618	3.3
185.13249	18.5
187.11186	4.3
187.14809	3.4
189.11192	3.2
189.12671	13.0
191.14284	4.0
193.10173	2.3
195.11714	5.0
197.13242	8.1
199.11197	4.8
201.12718	8.8
202.13490	2.5
203.14333	33.5
207.12074	2.4
207.13828	10.1
209.13277	5.7
209.15387	7.7
211.14818	2.9
213.12689	6.1
215.14291	5.9
216.14977	3.3
219.13847	7.0
221.13380	4.0
221.15353	71.8
223.14935	3.0
225.12801	3.2
227.14311	7.4
231.13795	4.1
233.15437	5.4
234.16086	14.4
241.15906	2.6
243.13780	3.2
269.18997	4.7
271.16797	2.5
279.92538	2.3
281.18927	4.2
286.19406	5.4
287.20020	9.7
291.83533	2.1
299.20074	7.0
303.19394	7.6
309.18521	2.9
327.19687	2.6
347.23822	4.0
365.24744	15.9
383.11023	2.4
383.25803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03943	3.5
55.01876	3.8
55.05514	14.9
56.30291	2.0
57.07080	11.2
59.04991	6.2
67.05513	29.0
69.03435	13.4
69.07067	10.1
69.52960	14.1
71.04988	5.0
71.23251	2.1
73.62922	2.5
77.03899	2.4
78.47731	2.1
79.05152	2.5
79.05508	29.8
81.07063	31.1
83.04984	7.6
83.08637	5.7
91.05492	40.9
93.07052	84.8
95.04982	22.9
95.08616	38.5
97.06506	15.7
97.21583	2.9
105.04505	2.8
105.07043	74.5
107.04980	2.9
107.08604	42.8
109.06532	23.0
109.10165	24.1
111.04439	3.9
111.08078	9.8
116.06250	3.7
117.07026	12.8
119.08598	55.4
120.09316	2.7
121.06541	15.6
121.10152	53.3
123.08085	28.1
125.06007	4.5
125.09650	4.0
128.06256	6.2
129.07008	12.0
130.07799	2.4
131.08595	29.3
133.06496	9.2
133.10141	34.2
135.08084	21.4
135.11748	4.1
137.06006	6.3
137.09616	9.7
141.06990	5.4
142.07782	22.7
143.08582	32.5
144.09351	7.2
144.65390	2.2
145.10130	41.7
147.08049	26.4
147.11696	15.1
147.12666	2.3
148.08904	2.8
149.09639	26.2
149.40666	2.5
150.10388	2.4
151.07556	40.4
153.09143	3.2
155.08600	9.7
155.10667	3.9
156.09373	7.5
157.10144	41.3
159.08093	8.2
159.11693	13.9
161.09605	18.8
161.13275	5.6
163.11195	8.2
165.06973	2.4
165.09142	36.0
167.08472	2.6
169.10132	7.2
170.10930	5.5
171.11713	10.1
173.09685	12.4
173.13324	12.3
175.11198	24.1
175.14853	6.5
177.09132	12.1
177.12769	2.7
178.09984	3.0
179.08571	4.8
179.14258	4.0
181.12297	8.7
182.10934	3.2
183.11714	6.4
185.13278	20.6
187.11252	5.4
187.14886	6.3
189.09163	2.7
189.12761	13.0
195.11720	7.5
196.12422	3.1
197.13313	6.5
199.14777	3.5
201.12794	10.0
203.14333	26.1
207.11824	3.8
207.13806	8.4
209.13368	5.8
209.15363	3.8
211.14902	5.0
213.12781	6.6
215.14339	8.6
219.13818	6.0
221.15393	71.0
223.14793	3.9
225.12859	4.6
225.16417	2.4
227.14346	8.0
233.15459	9.3
234.16158	12.2
237.14825	3.3
239.14380	3.6
243.13916	3.9
263.17871	3.1
267.17343	3.5
281.19098	3.3
286.19403	4.0
287.20032	9.1
299.20212	4.8
303.19611	8.7
365.24655	14.7
383.25839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.37229	1.3
53.03940	4.7
55.01870	2.1
55.05515	13.1
57.03438	2.0
57.07076	8.0
57.77460	1.3
59.04990	5.8
65.03941	2.7
67.05175	2.2
67.05506	25.2
69.03426	13.5
69.07066	8.5
71.04980	5.9
77.03917	2.3
79.05493	27.3
81.03439	1.9
81.06602	1.7
81.07062	33.0
83.05000	7.2
83.08623	5.0
85.06533	4.5
87.41475	1.4
88.22871	1.3
88.59912	1.4
90.78980	1.4
91.05483	40.0
93.07045	79.6
95.04969	21.3
95.08612	32.6
95.15976	1.3
97.06536	15.6
103.05440	3.5
105.04530	2.0
105.07036	70.2
107.04959	2.1
107.07875	2.4
107.08598	38.7
108.05785	1.7
109.06514	21.7
109.10165	17.8
111.04440	2.2
111.08102	8.3
115.05408	3.4
117.07018	9.3
119.04942	1.7
119.08584	48.5
120.09362	2.2
121.06521	11.5
121.10157	33.7
122.07285	1.8
123.08073	25.0
123.11752	2.1
125.06001	2.1
125.09587	1.9
128.06274	7.6
129.07008	12.5
130.07758	3.8
131.08568	26.8
132.09351	1.5
133.06512	5.8
133.07509	1.3
133.10130	27.4
135.08070	21.1
135.11694	5.2
137.05966	3.1
137.09624	10.4
139.11142	1.5
141.07004	4.9
142.07794	19.3
143.08568	25.2
144.09340	3.9
145.06505	3.2
145.10136	33.7
146.07271	3.2
147.08051	21.0
147.11673	16.8
148.08846	2.1
149.09621	24.6
151.07545	41.2
153.09103	5.2
155.08540	8.7
155.10602	1.8
156.09312	7.9
157.10144	35.3
157.46442	1.7
159.08038	10.5
159.11713	13.8
160.08861	3.6
161.09634	22.6
161.13251	5.5
163.07655	1.6
163.11203	7.4
165.09123	27.8
167.08630	3.3
167.10585	1.9
169.10085	7.6
170.10912	6.3
171.11659	9.2
173.09639	11.1
173.13271	7.7
175.11180	22.6
175.14835	5.8
177.09087	10.0
177.12735	2.0
178.09848	2.4
179.08621	2.6
179.10616	1.7
181.10124	4.5
181.12244	3.3
182.10945	2.6
183.11674	6.8
185.09673	3.7
185.13271	19.2
187.11189	5.3
187.14865	4.4
189.12804	8.6
191.14378	3.4
193.10170	2.8
194.10896	3.4
195.11737	3.9
197.11673	1.6
197.13287	6.0
199.11183	4.7
199.14801	3.8
201.12804	7.4
203.14337	29.3
207.11804	2.9
207.13815	12.2
209.13216	4.8
209.15396	6.2
211.11212	1.7
211.14841	2.1
213.12767	5.6
213.16278	2.3
215.10721	2.6
215.14287	8.7
216.15128	2.8
219.13832	4.6
221.13428	2.6
221.15372	76.7
223.14894	2.3
225.12935	2.0
227.14352	5.1
231.13861	4.3
233.15439	5.2
234.16187	5.9
237.14728	2.8
241.15915	1.8
243.13863	3.3
253.15749	1.9
255.17407	1.9
265.16000	1.6
267.17416	2.1
269.18979	1.7
271.17047	2.1
281.18906	3.3
286.19232	6.0
287.20001	12.3
299.20135	5.2
303.19598	7.2
309.18619	3.3
327.19705	2.4
347.23618	3.7
365.24728	16.6
383.25803	100.0
384.26355	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.59612	2.3
52.97380	2.0
53.03938	5.6
55.01868	3.1
55.05506	16.4
57.03431	2.3
57.07065	9.4
59.04980	7.2
64.45304	2.1
65.03925	4.5
67.05177	3.4
67.05506	39.2
67.11362	2.3
67.59316	2.3
67.97395	2.1
69.03438	14.3
69.07072	14.4
69.34177	2.4
69.86507	10.6
71.04980	7.6
78.78304	2.4
79.05491	31.7
81.03392	2.4
81.07054	38.7
83.04958	10.4
83.08615	3.0
83.42223	2.1
85.06532	5.6
91.05479	47.1
91.55595	2.0
93.07044	100.0
94.07346	2.6
95.04975	26.1
95.08611	39.9
97.06529	15.7
103.05462	3.0
105.07030	77.3
107.08595	43.9
109.06527	23.9
109.10153	29.1
111.08074	7.9
113.09637	2.3
117.07012	12.9
119.02990	2.2
119.08587	56.8
121.06519	13.2
121.10144	48.9
123.08074	30.7
123.11738	2.3
128.06232	8.9
129.06996	15.0
130.07732	7.6
131.08572	33.4
133.06493	8.1
133.10126	35.9
135.08047	24.3
135.11705	6.8
137.09628	12.9
141.06972	5.7
142.07802	18.7
143.08534	23.2
144.09354	4.6
145.10133	45.6
147.08046	26.3
147.11673	18.4
149.09612	28.9
151.07533	40.8
153.09077	3.0
155.08533	8.3
155.10638	3.4
156.09338	10.4
157.10120	44.3
158.10818	4.0
159.08052	10.1
159.11655	14.2
161.09616	24.6
161.13277	10.0
163.07468	2.3
163.11156	8.2
165.09120	40.1
167.08620	3.6
168.09283	4.0
169.10110	10.0
170.10880	6.6
171.11661	8.7
173.09586	10.3
173.13239	8.4
175.11172	18.4
175.14815	7.7
175.89366	2.1
177.09094	9.9
179.08568	3.9
179.14288	2.4
181.10078	3.1
183.11682	8.3
185.09526	3.1
185.13213	16.1
187.11159	5.6
187.14803	6.4
189.12755	9.5
191.14320	3.5
193.10194	2.5
193.96255	2.5
194.11008	2.5
195.11627	5.1
197.13222	7.1
199.11139	3.1
199.14731	2.6
201.12737	8.5
203.14307	33.3
207.13776	12.5
209.13391	4.8
209.15355	6.2
211.11066	3.7
211.14857	4.1
213.12729	7.0
213.16289	2.9
215.14302	8.0
216.15221	2.8
219.13799	5.6
221.15376	90.4
225.12819	5.1
225.16396	4.2
227.14229	6.3
231.13785	4.5
233.13245	2.6
233.15381	5.2
234.16098	12.1
241.15889	3.8
243.13858	3.5
246.03044	2.7
253.15727	2.7
265.19391	2.4
281.18796	4.1
286.19214	5.4
287.20047	7.2
299.20029	7.6
303.19556	8.8
309.18411	4.5
327.19873	3.1
338.19595	2.3
365.24622	13.2
383.20367	18.2
383.25714	91.8
384.26080	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01859	6.3
55.05510	21.5
57.03434	3.5
57.07071	19.6
59.05011	4.9
67.05505	43.8
69.03431	15.9
69.07070	16.4
69.35146	23.9
70.06595	3.3
71.04992	5.7
79.05499	37.4
81.07067	49.2
83.04974	13.9
83.08628	8.0
85.06529	10.2
91.05482	59.7
93.07047	98.4
95.04971	30.4
95.08610	50.2
97.06538	17.2
103.05485	3.1
105.07036	93.6
107.04935	3.5
107.08591	60.3
109.06528	32.6
109.10181	27.1
111.04446	13.6
111.08071	12.8
116.06192	3.7
116.07119	3.2
117.07029	13.6
119.08587	57.7
121.06532	20.5
121.10152	56.9
123.08071	36.1
125.05979	14.7
125.09653	3.0
128.06206	8.7
129.07010	13.6
130.07784	5.9
131.08568	33.5
131.42265	3.7
133.06485	10.4
133.10144	34.7
135.08047	31.9
135.11703	9.4
137.05983	36.1
137.09619	15.3
139.07576	4.0
141.06967	3.9
142.07790	19.6
143.08553	25.4
144.09343	7.0
145.06436	3.4
145.10117	44.5
147.08022	29.7
147.11694	18.7
148.08740	3.0
149.09621	39.1
149.13220	3.9
151.07562	38.5
151.11221	3.5
153.09079	5.3
153.12823	5.5
155.08528	5.4
156.03387	2.9
156.09364	10.3
157.10126	41.1
159.08130	6.7
159.11687	18.0
160.08875	4.4
161.09633	23.7
161.13286	11.5
163.11179	11.7
165.09138	45.5
168.09488	3.9
169.10112	8.3
170.10837	6.2
171.11707	9.9
173.09633	16.0
173.13283	12.4
175.11203	21.9
175.14890	8.9
177.09114	10.9
179.12914	2.9
179.14297	15.4
181.10361	2.9
181.12238	20.8
182.10960	3.2
183.11702	7.4
185.09593	5.4
185.13184	20.6
187.11221	7.1
187.14857	4.6
189.12759	10.3
191.14311	5.8
195.11816	3.9
195.13806	5.2
197.13274	6.6
199.11183	4.3
199.14810	3.1
201.12723	11.7
203.14265	26.9
207.11819	4.1
207.13751	14.6
209.13336	4.5
209.15378	6.0
211.11205	3.7
211.14883	4.7
213.12793	9.5
213.16402	3.2
215.14352	8.9
219.13837	8.7
221.13255	3.9
221.15355	100.0
227.14372	7.4
231.13620	4.8
233.15425	8.6
234.16064	18.0
243.13739	6.3
263.17935	3.9
269.12399	3.4
269.19019	3.7
272.92511	3.2
277.18008	11.9
287.20071	7.2
291.19656	4.3
299.20081	8.5
303.19525	11.0
347.23737	2.9
349.27310	28.0
365.24362	17.2
383.25671	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30432	0.6
53.03944	0.8
55.01867	4.9
55.05514	6.1
57.03437	4.6
57.07076	1.5
58.20758	0.6
59.04992	0.8
67.05506	13.5
69.03438	0.9
69.06791	0.5
69.07075	6.0
70.06583	1.6
70.90625	0.7
70.90946	1.2
71.04990	1.1
71.08622	0.9
71.80025	0.5
71.97368	0.5
79.05489	7.2
81.07058	27.8
83.04996	3.0
83.08611	2.2
84.08148	0.6
85.06508	0.9
87.65846	0.5
91.05476	4.3
93.07040	6.8
95.04947	1.0
95.08606	8.0
97.06554	2.0
105.07047	4.6
107.08595	4.8
109.06518	9.3
109.10157	8.1
111.04446	15.4
111.08069	1.5
113.05995	1.0
119.08590	5.3
121.06498	1.1
121.10148	5.6
123.08074	2.1
123.11709	2.3
125.06023	6.6
129.07037	0.9
131.08553	2.6
133.06488	0.7
133.10141	4.5
135.08040	2.1
135.11699	3.8
137.05983	100.0
137.09543	1.5
137.13248	0.9
139.03860	0.9
143.08566	1.9
145.10136	2.2
147.08043	2.0
147.11681	6.9
149.06017	1.1
149.09641	4.5
149.13240	1.9
151.07510	3.1
151.11194	0.9
153.09164	0.5
155.10564	0.8
157.10100	1.6
159.11711	1.5
161.09642	6.3
161.13257	2.2
163.11177	3.6
163.14827	0.9
165.09135	2.3
165.12721	0.7
171.11755	1.0
173.11736	1.2
173.13280	0.7
175.11200	5.0
175.14790	1.4
177.05444	0.7
177.09126	0.7
177.12749	1.2
179.10608	2.2
181.12193	0.6
185.13196	0.7
189.12773	1.1
193.12280	1.4
197.13307	1.0
203.14265	0.9
203.17955	6.3
213.16365	2.5
221.19008	2.0
224.12746	1.0
228.56296	0.6
231.17467	8.6
241.15996	1.2
249.18535	11.7
249.20872	0.4
277.17999	85.2
278.18356	0.9
291.19400	0.8
295.19067	12.4
340.62531	0.6
351.21716	6.8
355.76276	0.6
383.11307	1.1
383.24292	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08841	0.3
51.50067	0.3
54.98651	0.4
56.96564	6.0
69.78239	1.1
71.95258	2.0
98.97586	100.0
99.37759	0.3
105.03381	0.3
116.98624	42.1
132.79164	0.3
134.99657	9.9
137.12590	0.2
140.00206	0.9
153.00725	0.8
158.01253	0.4
174.97778	0.3
189.00328	1.0
198.97678	0.3
207.01450	1.6
214.95494	0.3
216.98767	1.5
217.98897	0.6
232.30356	0.3
234.99849	1.4
236.00009	0.8
240.98650	5.8
256.96561	0.3
257.96973	0.4
258.99768	69.6
259.99954	1.6
260.99924	0.3
261.03125	0.6
274.97498	1.4
275.97852	0.7
277.00818	71.3
278.00989	2.0
279.01022	0.4
282.01431	1.2
283.00006	0.7
292.98517	0.3
295.01736	0.4
298.97797	0.6
299.97952	1.2
300.02426	1.4
301.01028	0.7
313.38251	0.3
316.98792	0.5
317.98831	1.6
341.99002	1.4
359.00192	0.4
360.00009	1.9
360.16553	0.6
378.17661	1.6
382.99969	2.5
401.01041	7.4
402.01337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.6
55.01859	15.0
55.05507	25.9
57.03430	19.4
57.07058	6.7
59.04993	4.9
61.02934	18.6
67.05502	34.4
69.03089	4.7
69.03436	54.7
69.07073	26.1
69.42418	21.3
70.17433	2.9
71.01361	5.5
71.04655	5.5
71.04996	58.3
71.11008	2.9
71.39009	2.8
73.02903	13.1
79.05485	42.2
81.03420	36.5
81.07063	99.0
83.04984	19.5
83.08603	14.3
85.02905	72.1
85.06536	5.8
85.16487	3.4
87.04454	6.9
90.52056	3.5
91.05489	45.5
93.07043	83.6
95.04972	28.2
95.08605	71.7
97.02891	33.4
97.06537	18.2
99.04445	14.5
99.08054	3.8
101.05974	4.0
103.03934	15.2
103.05437	4.9
105.07038	93.0
105.07767	5.2
107.04957	9.3
107.07877	5.9
107.08598	100.0
109.02891	10.3
109.06519	19.2
109.10159	67.3
111.04441	16.6
111.08114	7.3
115.03896	9.4
115.05434	7.3
115.94414	3.7
117.07004	14.1
119.04948	4.9
119.08581	88.0
121.06499	18.7
121.10145	76.1
123.04429	8.3
123.08077	17.2
123.11701	26.2
125.05956	6.7
125.09620	27.2
127.03909	9.0
127.11195	34.0
128.06203	6.2
128.33081	3.7
129.06995	12.5
131.08565	48.1
133.04980	6.3
133.06532	5.7
133.10133	83.1
135.04399	4.0
135.08040	15.2
135.11684	58.1
137.05977	4.7
137.09590	12.5
137.13216	6.8
139.07504	10.9
141.05429	3.9
141.07008	7.5
142.07774	6.2
143.08588	25.5
143.10638	5.4
144.09338	5.0
145.04948	9.1
145.06493	4.1
145.10136	59.9
147.08026	14.8
147.11691	64.1
149.09625	5.1
149.13242	22.8
151.07565	3.9
151.11194	10.9
153.05463	4.6
153.12726	11.3
154.09201	3.4
155.08521	11.6
156.09294	6.6
157.10136	46.2
158.10939	4.7
159.06540	4.0
159.08060	7.7
159.11690	68.9
161.09604	10.8
161.13235	33.3
163.11118	7.9
163.14842	7.8
165.09009	7.5
165.12819	7.9
167.08539	5.0
168.09264	3.4
169.10120	12.8
171.06682	4.4
171.08070	6.8
171.11685	27.5
173.09601	8.8
173.13255	24.1
175.11159	14.5
175.14806	15.9
177.09171	4.4
177.12746	13.3
177.16429	6.5
181.08611	5.3
181.10092	8.3
183.11674	10.0
185.09630	4.6
185.13223	16.2
187.11156	6.6
187.14774	14.9
189.09103	8.6
189.12730	13.6
189.16350	42.8
191.10568	5.0
191.14481	4.0
193.15843	12.1
195.10008	4.0
195.11726	8.9
195.17430	5.2
197.13298	12.0
199.11195	5.1
199.14879	4.0
200.41917	3.6
201.12704	18.7
201.16403	33.0
203.17923	21.9
205.15845	5.5
207.11781	4.2
207.17450	4.6
209.13339	4.5
213.12766	8.9
213.16318	5.8
215.08664	3.4
215.14365	5.0
215.17914	13.9
217.10727	16.3
217.15848	5.1
219.17387	9.1
221.19019	11.9
223.14803	4.7
225.12750	12.2
225.16373	3.8
227.14348	3.6
227.17896	7.6
231.17406	8.8
233.18974	11.2
238.19159	3.4
241.15990	6.4
243.13776	11.8
243.17505	5.1
245.15285	4.1
245.19046	22.0
257.19040	5.4
259.17014	5.9
261.14984	9.1
263.20090	10.2
265.19836	3.3
269.19000	11.2
275.20123	4.8
279.15909	3.5
287.20010	13.4
297.17068	6.7
299.20145	7.6
305.21106	7.7
311.20059	16.6
329.21143	22.2
335.29443	3.6
347.22153	28.9
365.23206	32.9
383.24289	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.6
55.10418	0.3
56.04796	0.3
56.05038	4.0
57.03431	0.4
58.06589	0.9
60.04534	2.3
60.05633	0.7
61.01136	0.4
67.05487	0.5
68.05038	1.7
69.03417	0.8
69.07074	2.8
70.02940	0.6
70.06599	15.2
71.06913	0.7
71.50899	0.5
72.08159	7.0
74.06072	1.6
76.55579	0.4
79.05483	0.7
81.04540	1.0
81.07058	0.8
82.05332	0.9
82.06554	0.5
83.06112	8.3
84.04506	3.2
84.08154	13.4
85.02910	1.6
85.08488	0.8
86.06071	1.4
86.09716	24.8
87.05594	1.5
87.10046	0.8
88.03987	1.0
91.05469	2.0
93.04539	6.5
93.07052	1.2
94.78321	0.3
95.04991	0.3
95.06103	7.0
96.04524	0.4
96.08151	0.7
97.02892	0.6
97.06506	0.6
98.06085	0.5
98.09701	1.5
101.07138	0.4
102.05561	1.1
103.03954	0.4
103.05476	1.2
104.05294	0.5
107.08625	0.6
110.07176	100.0
111.07496	0.4
111.09216	0.5
112.08739	1.6
113.07143	0.6
114.05549	1.3
115.03893	0.4
115.08707	1.1
116.07117	0.7
119.04968	1.3
120.08122	11.3
121.02881	0.4
121.06523	1.8
121.08444	0.8
121.10189	1.5
122.06037	0.4
122.06848	0.4
123.04467	0.4
123.05574	0.6
123.08077	0.3
123.11716	0.7
124.11300	0.4
126.05585	0.4
127.08683	0.8
128.10739	0.5
129.10263	4.7
130.05069	0.6
130.06526	0.4
131.05002	0.4
134.06015	0.4
136.06384	0.5
136.07607	3.3
137.06003	0.5
138.06618	5.7
138.09157	0.4
140.08231	0.6
145.06473	0.4
147.04405	1.9
147.30952	0.3
148.04797	0.4
150.05746	0.4
154.12285	0.6
156.06566	0.3
156.07738	1.2
158.09373	0.5
161.10776	0.6
165.05576	0.5
166.06256	0.8
167.10674	1.6
172.10928	0.4
173.12888	6.2
173.14253	0.5
175.11951	0.8
177.10297	2.1
177.18298	0.3
178.13414	23.3
182.08214	1.1
183.29073	0.4
185.11781	1.3
197.10413	0.4
197.16595	0.8
201.12453	2.0
206.13046	1.4
216.10371	0.3
221.16693	1.1
223.15561	31.3
225.17438	0.5
234.12364	0.5
245.18649	2.7
251.15051	30.1
252.15463	0.6
269.16019	1.8
291.99994	0.4
295.89423	0.4
339.19293	0.7
346.22675	1.5
358.98853	0.3
364.02240	0.4
364.23676	1.0
381.72244	4.9
382.10995	0.5
382.15125	0.8
382.24728	14.6
382.78888	0.3
383.21793	0.7
401.20486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1711
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01870	1.6
55.05492	1.3
56.05025	2.2
57.03434	1.2
57.07075	2.3
58.06586	2.2
58.12934	0.8
58.58689	0.9
59.05000	1.7
60.04529	5.3
65.64221	0.9
67.05494	2.8
69.03421	3.1
69.07058	3.0
69.84318	4.2
70.02942	3.0
70.06595	6.5
72.04507	6.0
72.08149	2.1
73.02923	1.5
74.06071	3.2
79.05486	1.2
81.03413	1.2
81.06985	0.8
83.06099	0.9
84.04508	4.1
84.08143	9.8
85.02905	5.1
85.06529	4.0
86.06052	2.5
86.09720	5.1
87.05576	3.0
88.07610	2.4
90.05556	52.4
91.05463	2.3
95.04949	2.3
97.02888	1.7
98.02419	8.6
98.20773	1.0
100.03979	1.5
101.07129	1.7
102.05531	0.9
103.07568	3.7
105.06515	0.8
105.07052	8.8
106.07354	1.3
110.07156	2.1
112.07629	1.8
112.11243	2.1
113.05978	1.1
113.07092	1.4
115.03924	1.2
116.03466	6.1
119.04932	3.2
119.07330	0.9
120.08107	20.6
121.06509	1.1
121.08447	1.2
122.09667	5.3
124.07597	9.3
124.11228	1.4
126.12774	2.4
129.10252	1.6
130.05026	1.7
136.06041	0.9
136.07590	10.0
136.11249	1.4
138.09154	1.1
142.08635	4.1
144.08080	3.4
145.04976	1.0
147.04390	4.2
148.06017	3.7
154.12279	20.5
155.15417	1.6
162.09126	2.9
163.01559	0.8
166.08574	1.5
167.14021	0.8
168.79369	0.8
173.12839	1.6
174.11253	0.8
184.09694	10.5
197.16515	16.2
202.10739	18.7
207.11290	16.8
216.56256	1.0
220.11812	100.0
221.12836	5.1
235.10768	5.6
249.15976	2.7
277.15573	1.0
321.17899	2.1
323.58945	0.8
339.19128	11.5
377.97565	1.0
382.11197	13.3
382.16150	1.7
382.23682	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
68.57176	1.3
71.36496	2.0
74.50295	1.4
76.95261	1.4
77.53007	1.4
87.66013	1.3
112.89639	7.5
112.90305	1.3
114.89355	5.7
139.91466	3.3
141.91296	1.9
179.07269	1.4
201.01616	2.1
345.54407	1.3
381.07965	100.0
382.08749	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27509	0.4
56.05010	0.6
60.04514	1.1
61.20455	0.4
68.98288	0.4
69.03435	1.1
70.06590	6.9
71.51537	0.5
72.08151	1.0
79.05487	2.3
81.03373	0.6
83.04982	0.5
83.94917	0.5
84.04499	1.7
84.08146	6.4
85.02875	1.2
85.08457	0.4
86.09709	2.4
87.05618	0.7
88.04007	0.4
88.61160	0.4
97.02925	0.7
98.09693	0.6
98.97615	1.3
102.05530	0.5
103.05447	2.4
105.07032	100.0
110.07165	1.3
110.09647	0.5
112.08752	0.5
119.04962	1.4
120.08110	3.9
121.06510	0.6
122.09667	52.8
123.10049	1.0
124.11185	0.5
125.09626	0.7
129.10262	2.4
130.05006	1.3
136.07600	1.5
136.93709	0.5
147.04398	1.7
151.20972	0.5
154.12257	0.9
169.42537	0.5
182.53738	0.4
207.18634	0.7
216.09877	0.5
219.10616	1.3
220.11810	0.7
251.06659	0.6
303.17059	0.6
321.18192	1.1
345.18140	0.7
352.15356	0.5
363.19366	0.8
381.09476	0.9
381.16025	0.9
381.20227	6.5
382.11240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2948
Annotation	Homopseudopteroxazole
Peak:m/z	Relative Intensity
50.27938	0.9
53.03951	1.4
54.57472	0.8
55.05513	1.3
57.38233	0.7
67.05500	1.9
69.03407	0.9
69.07068	1.1
70.06575	2.1
70.66554	2.3
74.09729	0.9
75.04496	1.3
79.05491	4.4
79.46483	0.8
81.07052	3.8
84.08131	1.8
86.09708	1.2
91.05477	3.1
93.07044	7.2
95.04959	1.0
96.04514	1.0
103.05468	2.9
105.07034	84.6
107.04930	0.8
107.08594	3.4
108.29734	0.8
111.51806	1.1
119.08569	3.6
120.08123	2.1
121.06497	1.1
121.10146	1.5
125.75849	0.9
135.11737	2.1
143.08553	0.9
148.11234	2.2
162.12830	5.2
212.14351	2.9
214.15871	0.8
224.14369	1.0
238.15855	1.0
240.17627	1.1
252.17584	1.3
266.19040	92.1
267.19397	1.9
268.20639	3.1
282.22165	55.4
283.22406	1.3
310.21686	4.5
356.97220	0.9
380.29507	100.0
381.29947	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11562	6.6
56.96564	13.9
61.70649	7.5
70.85979	19.5
81.84438	6.8
85.02901	10.5
98.38272	7.1
98.97584	16.8
102.35586	8.1
110.66010	8.0
112.89626	9.3
113.37627	8.2
116.98602	11.0
120.83728	7.2
125.45579	7.8
133.78209	7.4
134.55495	8.5
138.40451	6.6
146.72916	9.1
147.04425	8.0
174.99263	8.1
198.63290	7.3
219.07935	10.5
278.88901	7.1
325.58441	8.5
381.08411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2842
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.01864	1.7
55.05505	6.8
57.07068	5.0
59.05009	1.7
66.18260	1.3
67.05514	8.7
67.12451	1.5
69.06724	2.2
69.07069	22.5
71.04980	4.2
71.08617	1.5
79.05490	8.0
81.07060	16.7
83.08595	3.2
85.06554	3.6
89.06020	3.8
90.27383	1.3
91.05488	8.3
93.07040	22.9
95.08607	13.4
97.06530	5.4
101.09676	8.9
105.07023	8.7
107.08594	23.8
109.06513	4.3
109.10158	4.9
111.08115	2.2
119.08574	7.3
121.06454	1.6
121.10163	7.5
123.08062	6.9
123.11666	2.1
125.09569	3.3
131.08565	1.9
133.06413	1.6
133.08665	2.0
133.10138	5.8
135.08070	26.8
135.11681	7.4
137.05972	4.1
137.09596	1.8
139.07524	5.9
145.10161	3.1
147.11659	6.5
149.09608	3.0
149.13243	4.4
152.08339	3.0
153.09097	1.9
159.11691	2.4
163.14935	2.1
165.09114	22.2
165.12758	4.8
175.14876	1.5
177.12727	9.8
178.13503	1.4
179.14331	3.8
181.15913	7.6
181.33105	1.5
183.11684	1.4
183.13756	1.6
191.14336	4.0
197.13446	1.4
197.15321	3.7
201.14883	5.2
209.15463	7.6
291.19534	2.4
305.20969	2.3
319.26385	3.8
329.24716	4.2
347.25824	100.0
351.28931	4.7
361.27170	1.7
379.28461	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	379.2844
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.01875	2.2
55.05510	7.6
57.07082	14.2
64.30420	1.7
67.05505	12.7
67.13007	1.9
69.07069	24.0
69.17690	15.1
71.05002	4.6
71.08642	3.7
76.42921	1.8
79.05494	9.6
81.07059	23.1
83.04985	3.3
83.08604	4.0
85.06558	11.4
91.05479	8.6
93.07040	24.5
95.04968	2.7
95.08611	14.6
97.06528	5.4
101.09666	7.8
105.07034	8.9
107.08600	20.6
109.06499	8.7
109.10161	6.4
111.04445	3.5
111.08118	3.9
117.06985	2.1
119.08580	8.2
121.10175	11.1
123.08088	9.2
125.06004	3.5
131.08591	2.1
133.10127	4.3
135.08064	28.0
135.11703	7.2
137.05997	15.0
137.13237	2.3
139.07544	6.3
145.10130	4.1
147.11685	7.0
149.09625	3.9
149.13280	4.9
151.07558	3.5
151.11159	1.7
151.28520	2.0
152.08350	2.4
153.12737	3.0
157.10159	2.0
159.11612	2.4
161.09642	3.1
165.09143	20.7
165.12814	5.4
173.13287	2.2
177.12744	17.6
179.14417	3.6
191.14366	5.5
197.15402	3.3
201.14896	5.6
209.15424	6.5
263.20093	5.0
277.18018	1.9
291.19601	3.8
305.21075	2.5
319.26318	4.2
321.02112	1.9
323.22272	3.8
329.24576	3.8
347.25821	100.0
351.28925	13.9
361.27298	14.0
379.28433	51.6
396.96997	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	379.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01862	1.3
55.05508	3.6
59.04991	2.1
60.21553	1.2
62.78520	1.1
67.05502	13.8
69.03439	1.3
69.07066	16.9
70.38329	2.2
70.38708	2.8
71.04993	7.5
79.05491	9.3
81.07056	24.5
83.04962	2.5
83.08613	3.7
84.09692	1.2
85.06551	5.9
87.41378	1.0
89.06021	2.8
91.05473	9.6
93.07044	20.7
95.04968	2.4
95.08600	12.5
97.06531	5.1
99.08086	1.4
105.07025	9.0
107.08598	19.5
109.06496	6.0
109.10135	4.9
111.08099	2.6
119.08569	9.9
121.10163	8.4
123.08064	6.7
123.11699	4.8
125.09630	2.7
127.07616	1.4
131.08559	2.2
133.10120	3.5
135.08052	25.7
135.11691	7.1
137.05966	4.0
137.09552	1.2
137.13219	1.1
139.07555	4.8
143.08533	1.5
145.10095	3.9
147.11647	8.7
149.09613	3.2
149.13290	3.8
151.07596	2.0
152.08324	2.8
153.09096	2.7
157.10014	1.4
159.11746	1.5
160.90492	1.2
161.09642	2.4
165.09111	24.1
165.12752	7.5
169.20001	1.1
171.11713	1.5
175.14719	1.3
177.12741	20.4
179.14307	1.8
183.13770	6.1
186.90862	1.1
187.13301	2.1
191.14314	1.3
193.12248	2.7
195.13963	1.6
197.15274	7.0
201.14835	10.4
214.34126	1.3
215.16499	2.7
253.98384	1.2
291.19601	1.7
293.21158	1.7
305.21112	3.5
319.26132	1.5
323.22092	2.7
329.24564	2.0
347.25824	100.0
348.26059	1.6
379.28470	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	379.2842
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.05512	5.4
57.07078	13.2
59.04979	2.4
67.05511	6.8
67.23723	1.0
69.07069	29.6
71.04993	2.0
71.08629	5.9
71.52099	1.2
73.06541	1.4
79.05496	9.6
81.07062	10.3
82.18740	0.8
83.04978	2.0
83.08603	2.6
85.06540	4.6
85.10172	3.2
87.04465	1.0
89.06030	17.0
91.05475	8.2
93.07043	22.7
95.04958	1.0
95.08604	8.3
97.06532	1.8
101.09064	1.1
101.09665	17.8
105.07047	7.0
107.08592	27.4
109.06516	7.9
109.10153	3.7
111.08070	3.7
117.06980	1.4
119.08586	4.2
121.06487	2.1
121.10149	10.2
123.08067	5.5
123.11741	1.4
125.09603	3.9
131.08607	1.5
133.08606	6.8
133.10129	2.9
134.30717	1.0
135.08058	23.0
135.11684	4.2
137.05960	4.1
137.09561	1.8
139.07567	7.0
140.08331	1.0
145.10121	3.5
147.11694	2.4
149.09639	5.4
149.13252	6.9
151.07584	2.0
152.08284	5.2
153.09134	1.7
157.10193	1.3
159.11717	1.9
161.09631	1.7
165.09123	21.6
165.12755	2.3
167.10524	1.2
175.11192	1.4
177.12732	7.7
179.14297	6.0
181.15886	10.8
191.14317	7.0
204.42465	1.2
209.15369	15.3
215.81909	1.1
239.14929	3.0
244.77760	0.9
263.20056	4.0
275.51868	1.0
291.19592	2.5
319.26324	1.5
329.24585	1.7
347.25821	100.0
348.26099	2.1
379.28442	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69732	5.2
55.05499	22.9
57.07063	8.6
59.04990	7.2
60.04524	27.3
67.05505	77.7
69.03421	11.1
69.07068	13.2
70.04774	17.9
70.05197	9.6
70.06600	8.0
71.04660	7.8
71.04999	100.0
71.08617	22.0
79.05478	21.7
81.07069	56.2
83.08604	13.5
83.69371	5.4
84.65893	5.0
85.06531	6.9
91.05471	25.5
93.07034	43.0
95.08626	29.4
97.10152	22.6
98.09682	21.4
99.08077	20.6
105.07032	19.7
107.08582	24.9
109.10175	44.5
111.08081	15.1
117.06999	8.6
119.08570	17.0
121.06492	7.3
121.10146	12.9
125.09634	29.5
131.08546	13.0
133.10124	18.5
135.08012	6.9
135.11710	22.4
140.14409	6.1
145.10179	6.2
147.04398	7.6
147.11696	5.7
149.13229	16.3
151.11218	14.7
155.10703	6.9
155.14255	10.5
159.11728	23.5
163.11148	7.1
173.11748	61.5
177.12735	21.0
187.13303	47.6
192.07684	5.3
200.92490	5.3
203.12880	26.7
209.15327	12.7
241.17955	69.7
259.20630	8.4
277.21701	39.9
280.43869	7.1
291.23099	8.9
304.19110	8.6
309.24335	10.7
317.21036	17.8
334.19574	7.2
353.16507	5.6
376.19586	9.8
377.21964	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	377.1457
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03948	2.0
55.01858	0.5
56.05045	0.4
57.03439	6.9
59.04982	1.0
61.02929	2.8
66.35312	0.3
67.05483	0.4
69.03432	12.6
69.32824	0.3
69.33159	2.7
70.06594	2.7
71.01361	3.0
71.04645	0.4
71.04995	3.6
72.08160	0.6
73.02926	1.7
75.04485	2.2
81.03425	3.6
84.08150	3.7
85.02900	0.6
85.53480	0.3
86.09707	1.4
87.04475	0.5
87.64261	0.3
91.05475	0.4
98.06064	0.8
98.09704	2.8
99.04452	5.1
106.09750	0.3
117.05468	0.8
120.08080	0.7
123.53030	0.3
129.10255	1.5
130.06537	0.4
135.06682	0.3
140.14349	1.5
145.07603	1.5
147.04416	0.4
154.52361	0.3
157.06367	0.5
170.07144	1.1
172.08701	28.0
190.09700	1.5
193.03239	0.3
193.07349	0.3
198.04965	0.5
198.06645	6.0
200.08214	5.8
214.09775	0.7
216.07697	16.1
218.09312	0.5
229.08490	0.5
243.08788	65.1
244.07161	1.0
244.09174	0.8
304.19119	0.4
359.13440	3.1
377.14557	100.0
378.14877	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	375.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
56.59364	0.4
59.27194	0.5
67.05499	1.2
69.07050	1.3
70.06594	2.5
70.62089	1.1
70.62449	0.5
71.05003	0.4
72.08154	0.5
79.05495	2.4
80.05003	1.2
80.53049	0.4
81.03423	0.8
81.07043	0.7
82.06564	1.8
84.08143	1.2
85.06516	0.7
86.09710	0.8
91.05487	5.5
92.05035	0.7
93.05804	0.5
93.07043	6.4
93.45081	0.5
94.06575	5.8
95.04968	0.6
95.07355	7.5
95.08596	1.6
96.08131	16.4
97.06527	1.9
103.05453	1.5
105.05756	0.6
105.07088	0.5
107.08578	0.6
108.04482	0.6
108.08121	9.9
109.08881	1.2
109.10086	0.5
110.09683	31.8
116.04987	2.7
117.05743	0.7
118.06538	7.7
119.04992	1.0
120.04530	0.5
120.08109	22.6
121.06494	2.2
122.06027	0.9
123.06800	0.9
123.40280	0.4
128.06232	0.4
134.06015	1.2
136.07578	11.4
138.09142	37.6
143.28117	0.4
144.04442	1.8
146.06009	22.8
148.03935	6.3
148.07581	7.7
150.09204	0.5
154.08661	1.3
162.05463	0.5
164.07072	2.9
166.08643	100.0
167.08994	0.9
176.07091	0.8
178.08643	5.1
180.06538	0.6
186.09180	0.4
190.03424	0.8
190.05002	7.9
204.06546	2.5
222.07613	6.1
229.13388	2.2
238.10971	0.6
253.13283	2.2
255.11235	1.0
257.12897	8.0
271.14468	1.3
273.12262	0.5
275.51996	0.5
281.12845	3.7
283.10767	0.9
285.15671	0.6
299.13904	22.6
301.11813	1.3
325.11868	0.9
331.16589	1.4
333.14539	1.0
339.13342	0.9
343.12469	0.6
357.14719	2.1
375.15259	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	376.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01869	0.3
55.76212	0.2
56.05029	0.4
57.03439	0.5
59.04995	0.4
61.02922	0.8
69.03436	1.8
70.02953	0.3
70.06622	0.2
70.15343	0.7
71.01340	0.3
72.04529	0.5
73.25114	0.2
80.10333	0.2
81.03426	1.0
84.04511	4.7
84.08133	0.8
85.02437	0.3
85.02914	3.9
86.02425	0.6
87.04476	0.5
96.04507	0.6
97.02899	1.0
99.04474	0.4
100.03992	2.0
103.03957	1.7
103.26464	0.2
108.04476	0.4
109.02921	1.0
112.03996	1.8
114.05547	0.9
115.03942	0.5
123.32265	0.2
124.03960	3.8
126.05527	0.3
127.03922	0.8
129.10239	0.6
130.05011	100.0
131.05362	0.5
142.05003	0.3
144.06613	0.4
145.05013	0.5
157.04971	0.4
166.05008	0.2
172.06068	0.9
208.87106	0.2
292.10315	2.1
358.11545	0.2
376.12469	3.4
381.28561	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52699	0.4
65.03652	0.6
65.03945	5.4
70.06586	1.2
71.00364	0.9
71.04991	0.4
78.44932	0.4
79.05471	0.6
84.04492	0.5
85.02872	0.4
89.03930	0.6
91.05508	0.6
92.05007	2.3
93.07047	1.7
94.06554	1.9
95.04967	0.4
95.07340	1.6
96.08144	3.5
108.08127	6.5
110.09688	4.4
116.04979	2.1
119.52293	0.5
120.04470	7.7
120.08098	3.9
122.05995	3.1
124.07590	1.1
136.07567	3.2
138.05505	0.6
138.09135	5.6
144.04440	4.7
148.03934	100.0
148.07600	1.4
149.04323	1.2
154.08670	1.0
159.91252	0.4
160.03871	0.4
162.05496	3.3
166.05003	11.5
166.08650	13.6
172.03941	18.1
174.05594	0.5
190.05008	7.0
199.12280	0.6
204.06569	29.2
205.06949	0.6
212.09326	0.5
222.07706	0.6
226.10915	0.4
227.11855	1.4
245.12646	0.5
255.11295	14.9
273.12329	11.6
283.10767	13.3
301.11832	70.7
302.12131	1.0
319.12854	1.8
325.11847	1.1
329.11099	0.5
339.13443	0.6
343.12906	18.0
357.14539	0.6
375.15573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99864	0.1
53.03941	0.6
55.01871	0.8
55.05499	0.5
56.05029	0.6
57.03434	0.6
60.04512	0.6
60.05645	0.2
61.02925	0.4
68.99789	0.2
69.03427	2.4
69.07063	0.7
69.74354	0.5
69.74757	0.4
70.02948	0.5
70.06593	3.4
71.04996	0.3
72.04497	0.1
72.08154	5.2
73.02914	0.8
74.06078	0.5
75.05598	0.2
81.03424	3.0
83.04978	0.2
83.06056	0.1
84.04501	1.2
84.07634	0.3
84.08141	4.7
85.02905	4.6
85.04002	0.2
85.08472	0.2
86.09706	14.2
87.00822	2.0
87.05591	0.7
87.10038	1.0
88.03986	1.2
91.03958	0.2
91.05477	0.5
93.07046	0.2
96.04534	0.2
96.08121	0.4
97.02910	1.3
98.02407	0.4
98.06037	0.2
99.04455	0.9
99.05592	0.3
101.10760	0.2
102.05549	1.4
103.05450	0.2
105.01869	1.1
109.02872	2.9
110.02443	0.2
110.07177	0.6
110.09692	0.2
112.08734	0.3
113.10764	0.3
115.05066	0.2
115.08695	0.2
117.01850	0.3
119.04935	0.3
119.08583	0.2
120.08099	1.8
121.06459	0.2
124.03986	0.2
126.05575	0.2
127.03915	100.0
128.04248	0.8
129.01816	0.2
129.10240	2.1
130.05020	1.9
130.08624	0.2
136.06229	0.1
136.07576	0.7
138.09160	0.7
141.10226	0.9
142.05009	0.2
143.11815	1.2
145.04977	1.0
147.04442	0.5
147.07664	0.2
147.11288	0.2
148.04913	0.2
148.06001	0.8
152.07112	0.2
155.11789	1.2
157.09726	0.3
159.02907	1.3
166.08630	0.4
171.11296	0.7
175.11900	0.3
177.05464	0.2
178.05840	0.2
183.11282	1.4
199.18033	0.7
200.13950	6.0
200.18340	0.8
201.12451	0.2
205.11865	0.8
211.11938	0.3
213.03944	0.2
213.11253	0.2
219.13350	0.3
225.15894	0.2
226.11887	0.2
227.17563	0.3
228.13344	1.4
228.17912	0.2
231.05013	0.5
234.47427	0.1
261.14514	0.5
262.14856	0.2
270.18182	0.3
271.12930	0.5
274.19000	0.2
299.21994	0.2
304.04822	0.1
331.12637	0.3
341.13568	0.2
349.92004	0.1
351.62177	0.1
358.15955	0.2
358.87088	0.2
361.43735	0.2
361.56396	0.1
374.73959	0.5
375.11691	0.2
375.23541	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2286
Annotation	Glu Leu Ile
Peak:m/z	Relative Intensity
54.96410	0.3
56.05040	2.0
59.27095	0.3
64.81686	0.3
69.07072	1.9
69.26402	2.8
70.06591	3.9
72.08136	0.6
75.05618	0.6
76.14124	0.3
79.05460	0.4
83.06071	0.5
84.04505	26.4
84.08141	2.6
85.02925	1.1
85.08466	0.3
86.09707	100.0
87.09505	0.4
87.10020	2.2
91.05495	0.5
93.07077	0.3
96.04525	0.8
102.05543	13.8
110.06033	0.3
110.07171	0.5
113.07143	1.3
120.08112	1.4
124.11263	0.5
129.06592	3.6
129.10262	0.9
130.05011	1.9
132.10204	37.3
133.10541	0.6
134.69954	0.3
136.07565	0.5
138.09167	0.4
141.06587	3.5
143.11787	1.9
144.12151	1.7
148.03926	0.8
152.10725	2.1
154.60762	0.3
155.08121	0.3
170.11754	3.6
171.11316	1.3
172.11642	1.4
176.10774	0.3
194.11710	0.5
197.11014	0.7
197.11382	0.4
197.12866	17.9
203.13943	1.2
204.14297	1.4
215.13913	29.7
225.10097	0.4
225.12329	7.6
225.50314	0.3
242.15169	0.4
243.13388	18.8
245.18452	1.9
260.67288	0.3
261.14468	0.8
274.56351	0.3
292.98709	0.3
301.11853	0.6
310.21408	0.4
338.20959	0.8
356.21948	1.4
374.23056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05503	0.7
56.05033	1.4
57.03432	0.5
58.06623	0.3
60.04512	0.8
60.05644	0.6
61.02919	0.3
66.00912	0.2
67.05511	0.4
68.05016	0.6
69.00919	0.2
69.03419	1.1
69.07071	5.3
70.02924	0.4
70.06595	10.7
70.80941	0.3
70.81281	0.4
71.04978	0.4
71.06929	0.5
72.08157	4.0
74.06094	1.3
74.06425	0.2
78.59187	0.2
79.05493	0.6
80.05009	0.3
81.03421	0.7
81.07077	0.4
82.06580	0.7
83.06104	0.5
84.04507	5.2
84.08146	10.6
85.02913	2.8
85.08472	0.4
86.09708	100.0
87.05601	0.6
87.10039	0.9
88.04002	0.4
89.03933	0.4
89.95696	0.2
91.05491	1.9
93.04552	0.3
93.07075	0.4
94.06592	1.2
95.04964	0.5
95.06113	0.3
96.04504	0.6
96.08131	0.5
97.02892	0.9
97.06538	0.7
98.06062	0.3
98.09698	0.6
98.97588	0.5
99.86520	0.2
101.07115	0.5
101.10775	0.3
102.05562	2.4
103.05451	0.3
105.07064	0.4
107.04951	0.5
108.08146	0.3
109.02917	0.4
109.06511	0.3
110.06033	0.4
110.07160	2.2
112.08742	0.5
113.07091	0.3
114.05589	0.4
114.09160	0.3
115.08720	0.3
116.07106	0.5
117.03384	2.0
119.04945	1.5
120.08108	3.1
121.06512	0.4
121.10184	0.2
122.06043	0.2
124.03967	0.3
126.05509	0.4
127.03926	3.2
127.04855	0.4
129.06667	0.2
129.10240	4.4
130.05013	3.3
130.08649	0.7
130.10605	0.3
131.05362	0.3
131.08591	0.3
134.06013	0.3
135.04475	0.3
136.06143	0.4
136.07574	1.3
138.05522	0.4
138.09157	0.9
139.08583	0.3
141.06589	0.2
141.10164	0.3
143.11809	0.5
145.02846	4.0
145.05006	0.4
146.03197	0.4
147.04411	6.6
147.05530	0.5
147.07574	1.1
147.11371	0.4
148.04887	0.3
148.06046	7.3
148.07806	0.5
149.06003	0.8
150.05449	0.2
153.78746	0.2
154.08659	0.3
155.11873	0.3
161.09624	0.2
162.05534	0.3
163.03940	0.5
165.05511	0.2
166.08705	0.9
173.09286	0.4
175.11969	0.3
177.05478	9.7
178.05856	0.8
184.09930	0.3
194.08124	0.6
194.11705	1.1
195.06541	5.0
195.08290	0.4
195.10149	0.3
199.18063	28.0
200.14009	0.9
200.18394	0.3
212.09198	1.8
212.12688	1.1
227.17543	17.7
228.13698	0.2
228.17906	0.3
261.14453	7.8
270.14673	0.6
293.09067	0.6
306.09866	0.3
309.84030	0.2
324.10834	0.4
338.12476	0.5
350.94220	0.2
351.19565	0.3
356.17068	0.6
357.16919	0.3
360.45035	0.3
374.16736	0.4
374.20984	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.2
55.85806	0.5
56.05035	5.6
56.05258	0.5
60.04520	0.5
67.05505	0.8
69.03445	1.0
69.07069	6.0
69.99541	2.0
70.06596	6.4
72.08170	2.8
72.21465	0.5
80.83794	0.4
81.03436	1.0
81.07059	1.9
82.06585	0.7
83.06104	1.2
84.04509	22.3
84.08148	100.0
85.02905	1.5
85.08483	1.2
86.06084	0.7
86.09710	85.8
87.10043	3.5
88.03962	0.6
91.05474	2.4
92.45332	0.5
96.04456	0.6
96.08144	0.6
97.06511	0.7
98.09698	1.4
98.20840	0.7
101.07156	1.1
102.05553	10.2
105.07003	0.9
109.06520	0.7
110.07161	2.3
115.77496	0.5
120.08092	2.7
121.06543	0.6
123.08061	1.5
126.09135	1.6
127.03878	0.6
129.06601	10.2
129.10257	2.7
130.05013	2.7
132.10210	25.5
136.07555	1.9
137.08344	0.5
147.07736	0.6
148.06007	0.8
157.13431	0.5
169.13338	0.7
170.11765	4.1
172.08687	0.6
175.07281	0.5
186.54688	0.5
197.12866	14.5
197.14665	0.5
199.18057	4.5
215.13914	23.3
225.12350	5.1
227.17555	2.4
242.14995	0.7
243.13213	6.8
243.15385	1.3
245.18530	0.8
296.28589	0.5
330.17999	1.2
342.20151	0.9
346.07959	0.6
356.16702	1.6
356.21533	1.2
374.07193	0.6
374.17578	2.2
374.22437	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01862	0.4
56.05023	0.5
57.03425	1.1
57.60917	0.4
61.02937	2.0
69.03429	3.9
69.10642	0.4
69.42445	2.9
70.06588	3.1
71.04988	0.8
71.94121	0.4
72.08154	0.7
73.02931	0.6
74.06065	0.9
79.05489	0.5
81.03414	1.8
83.77177	0.4
84.04497	1.6
84.08139	3.2
85.02906	15.6
85.08508	0.4
86.09701	3.1
89.03918	3.6
91.03944	0.9
91.05508	0.6
97.02892	5.1
98.06070	0.5
99.04456	0.7
109.02872	1.2
110.07137	1.0
114.05529	1.5
117.03381	12.6
120.08089	1.1
125.06001	0.5
127.03901	2.1
129.10239	1.9
130.10577	0.5
134.03636	1.6
135.04453	0.8
136.07590	0.5
145.02853	39.0
145.04817	4.6
146.03250	0.4
147.04401	0.6
149.05981	6.6
153.05536	0.9
162.03149	0.7
162.07629	0.4
163.03871	2.4
177.05472	100.0
178.05835	1.0
180.08693	1.6
184.26820	0.5
186.05659	0.5
195.06534	59.4
243.66376	0.5
280.34348	0.4
298.48856	0.4
374.17447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01878	5.8
55.05500	2.8
56.05029	6.1
56.94287	1.1
56.96539	2.3
57.03435	2.2
57.05813	1.0
60.04512	2.2
60.05651	2.0
61.01132	2.6
61.02909	1.0
65.03951	1.2
67.05500	2.4
68.05027	2.8
69.03442	5.5
69.07069	6.1
70.02954	4.4
70.06595	28.8
71.06918	2.1
71.51721	1.2
72.04517	1.5
72.08159	15.9
72.93783	2.1
73.02898	1.6
74.06073	3.2
79.05473	3.1
80.05008	1.9
81.03417	11.4
81.07044	1.4
82.06573	3.2
83.04969	1.8
83.06116	11.8
84.04504	41.0
84.08148	27.5
84.56447	0.8
84.96032	1.5
85.02897	5.8
85.04803	0.9
85.08469	2.9
86.06078	1.8
86.09706	41.3
87.04472	1.7
87.05593	15.0
88.03983	2.1
90.05527	0.9
91.05462	3.8
91.47702	0.9
93.04494	1.0
93.07021	1.8
94.06589	1.3
95.04958	3.6
95.06063	1.3
96.04491	4.4
96.08131	1.6
97.02901	4.8
97.06512	1.1
98.02404	4.3
98.06053	2.5
98.97581	3.9
99.04500	1.3
100.07575	1.3
101.07136	6.1
101.10780	1.4
102.05536	3.1
105.07022	1.8
106.02905	1.9
106.04179	0.9
106.05027	1.0
107.04951	4.0
108.04526	0.9
108.08182	1.0
109.02867	1.2
109.06521	1.0
110.02411	2.6
110.06066	2.3
110.07167	8.3
110.97558	1.5
111.04448	1.1
111.05576	1.0
112.03960	3.3
112.07625	2.2
112.08756	1.7
113.00038	1.0
114.05538	5.7
115.05053	3.3
116.07064	1.1
116.98620	1.5
117.07005	2.3
118.06572	1.0
119.04964	2.0
120.08082	2.3
121.02846	1.2
121.06491	3.0
122.06065	4.9
123.04430	1.5
124.03978	10.7
126.05503	3.1
127.03908	2.9
127.04934	1.4
128.07161	0.9
128.98622	1.9
129.06996	1.0
129.10255	11.3
130.05016	4.9
130.08661	1.7
131.04904	2.2
131.08525	1.5
132.07655	6.7
132.10234	7.7
132.95805	2.4
133.06509	1.9
134.05997	1.7
135.04457	1.5
135.05490	1.0
135.06688	1.1
136.03944	4.2
136.06155	1.7
136.07579	4.0
137.05943	1.7
138.05475	3.8
138.06499	1.5
138.09129	1.5
139.03891	4.0
139.05049	3.4
140.07089	2.1
141.01888	1.1
141.06610	1.4
141.10251	2.5
142.06558	1.1
143.00148	3.0
143.11809	2.0
144.95815	2.5
145.06476	2.0
146.09605	1.2
147.04362	5.6
147.07686	1.8
148.05978	1.4
148.07507	1.5
149.05936	1.2
150.05501	2.3
151.07590	1.2
152.07066	1.8
153.05460	1.3
153.06607	1.1
154.05026	2.4
155.11810	2.3
156.07692	1.2
158.97350	3.1
159.07993	1.3
160.07574	2.8
161.05981	2.7
162.05511	2.1
162.96870	1.5
163.04158	4.2
164.07109	1.2
165.05420	1.7
166.08653	2.6
167.04572	1.0
167.07039	4.1
168.06534	1.7
168.95793	0.9
169.98976	1.6
171.07942	1.1
171.11185	1.8
172.07339	2.8
174.09201	1.6
176.07047	2.4
176.98418	1.1
177.00742	1.1
177.05391	1.3
179.03352	1.1
180.06470	2.5
180.07834	1.3
181.06200	6.7
183.06497	1.0
183.11279	2.7
184.07391	1.9
186.08943	2.0
186.96890	1.2
188.07095	4.7
189.05464	1.1
190.08728	1.7
190.33447	1.0
194.08127	1.8
197.10335	3.4
198.05872	1.6
198.07385	7.5
198.09187	1.6
200.13948	3.8
202.08690	1.5
204.06558	2.9
204.10190	1.2
206.08165	4.3
207.06500	2.2
209.05586	4.5
211.99971	1.1
212.09038	1.6
214.08690	1.7
215.07202	1.3
215.11392	1.4
216.06445	2.4
216.17511	7.3
216.97850	2.0
219.01688	2.1
220.09793	1.0
222.07581	2.1
225.09824	4.2
226.08316	8.8
228.13388	2.6
229.11949	1.4
230.08188	1.9
232.09755	2.0
233.99164	0.9
234.07623	3.9
234.99007	7.0
235.06075	2.6
237.02826	2.2
240.13344	1.2
242.08144	1.8
242.14989	1.7
243.10939	11.7
243.13361	1.8
244.09497	1.2
246.14647	1.3
248.00117	1.3
248.09137	2.1
250.10776	3.1
252.08757	7.2
253.07161	2.6
254.15758	1.0
255.03990	1.1
260.09238	2.7
260.15872	1.1
261.07608	1.4
266.10117	2.9
270.09732	23.4
270.14380	1.5
276.08444	2.2
278.10159	5.2
278.79251	1.1
279.08740	4.6
280.08997	1.3
285.15585	3.0
288.08521	2.2
294.09674	12.0
294.14487	8.6
306.09772	11.1
311.17255	1.6
314.03043	14.4
314.68542	1.0
324.10760	9.8
326.12311	1.9
332.06595	2.2
338.12338	8.9
339.10721	1.2
339.16602	3.5
340.14890	3.3
342.11710	8.7
356.13391	18.1
356.19241	12.6
357.17590	3.9
374.14426	100.0
374.24231	6.1
374.55026	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.3102
Annotation	Igernellin
Peak:m/z	Relative Intensity
52.51817	4.6
55.05498	15.0
57.07059	6.7
67.05490	19.8
69.07059	18.9
74.01063	4.9
79.05491	23.2
81.07063	84.1
83.08630	9.8
87.04465	5.2
91.05463	17.1
93.07056	65.4
95.08612	83.0
97.10181	4.8
98.21628	8.3
105.07024	27.5
107.08601	82.9
107.32609	5.0
109.10167	51.7
117.74743	5.2
119.08581	48.9
121.10136	71.3
123.08076	34.6
123.11711	36.3
125.09629	18.8
130.47018	5.4
131.08580	14.6
133.10143	24.9
135.11702	45.0
137.13246	30.0
145.10178	7.9
147.11716	11.4
149.09644	37.4
149.13235	23.6
159.11720	27.1
161.13272	70.1
163.14827	21.9
173.13210	6.3
175.14810	12.6
177.16425	29.2
179.14357	28.7
187.14723	6.5
191.17892	7.7
199.14882	6.3
205.19585	7.2
215.17966	6.7
217.19493	10.9
219.21112	10.8
229.19553	15.1
231.21080	17.7
237.27333	6.1
247.20294	5.3
285.22617	5.4
319.74677	6.2
337.28885	82.5
350.31668	5.9
355.29913	55.3
373.31052	100.0
399.61078	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	373.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
55.01875	0.8
55.05510	1.5
56.05044	2.9
63.33208	0.4
66.29842	0.5
67.05497	1.1
67.95573	0.4
68.05045	0.5
69.07079	8.6
70.06601	16.4
70.07406	0.6
70.40627	1.5
71.04984	1.1
71.06921	0.6
72.08160	4.0
74.06090	0.9
79.05520	0.9
80.05032	0.5
81.03413	0.8
81.07073	0.9
83.05733	0.7
83.06113	33.0
84.04514	41.4
84.08151	15.8
85.02917	1.9
86.06080	0.5
86.09715	100.0
87.05634	0.6
87.10065	0.8
88.04017	0.8
91.05479	1.8
93.07043	1.1
94.06570	0.7
95.01362	0.7
95.04980	1.3
96.04501	1.5
96.08128	0.7
97.02914	0.6
98.06093	0.7
98.09711	1.3
98.20782	0.7
99.05583	1.7
99.62493	0.7
101.07162	6.9
101.10784	0.5
102.05556	1.0
103.05506	0.6
105.03404	21.5
105.07044	1.3
107.08602	1.0
108.04488	2.8
109.10136	0.9
110.06117	0.6
110.07191	2.3
110.09702	0.9
112.03973	0.7
112.08755	0.8
113.07132	0.9
116.07104	2.0
117.03397	1.9
119.08634	0.8
120.08109	2.4
121.06529	0.8
123.04482	1.3
124.07604	0.8
124.11237	0.8
128.08231	0.6
129.05629	1.1
129.06618	24.2
129.09344	0.9
129.10249	8.3
130.05022	2.6
130.06572	1.2
130.08716	0.8
132.08159	2.3
132.10219	41.8
133.10283	0.8
134.06058	0.6
135.11693	0.7
136.07614	1.6
137.06024	0.8
141.01871	1.5
141.06659	1.7
141.10263	1.3
143.11838	2.2
143.85539	0.6
145.02888	3.9
146.06023	1.2
148.96207	0.5
149.09657	0.8
150.05475	0.8
152.10727	4.4
157.13477	1.2
159.09233	1.7
163.11224	1.3
166.08580	0.7
168.06612	2.0
169.09811	1.4
169.13399	5.5
171.11351	2.2
172.03960	0.6
173.04718	0.6
173.09300	1.3
173.12917	1.2
174.05548	1.1
177.05504	5.5
179.07051	7.3
185.12982	0.9
187.08728	2.0
187.10878	0.8
188.07117	0.8
189.12399	1.3
191.10631	1.3
196.14478	34.0
197.08141	2.2
197.12880	23.3
199.18124	1.9
203.14003	2.0
204.06662	2.1
206.08104	0.9
212.12624	0.5
214.15520	16.8
220.31311	0.5
224.13957	11.5
225.10265	0.9
225.12335	6.3
225.14270	0.5
230.12947	0.6
242.15009	9.2
244.83655	0.5
245.18649	1.5
258.12524	1.6
270.14557	2.0
284.19803	0.5
299.10364	0.9
302.15103	1.7
317.15021	0.8
331.12939	1.2
337.22388	0.9
338.21198	0.7
355.23434	24.3
355.79605	0.6
356.22092	1.9
366.41037	0.6
373.14008	1.1
373.18756	1.5
373.24420	2.7
373.28168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2221
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.05513	7.1
57.07076	2.6
61.02952	1.6
67.05511	14.0
69.03416	4.7
69.07074	13.9
69.21524	6.3
69.21949	8.0
71.04993	3.5
79.05478	2.5
81.03410	1.8
81.07056	17.2
83.04989	7.5
83.08620	4.3
85.02920	9.5
85.06539	3.2
93.07058	8.9
95.08614	28.9
97.02908	1.9
99.08076	2.9
105.07039	4.2
107.08615	22.1
109.06509	7.0
109.10163	100.0
111.08092	2.9
119.08596	35.7
121.10144	13.8
123.08084	13.4
123.11739	9.1
123.12497	1.6
133.10123	20.2
135.11699	98.4
137.02557	1.5
137.09618	12.7
139.11246	1.9
147.11745	1.9
149.13261	7.1
151.11201	6.8
151.14824	10.0
153.12698	2.3
165.16330	2.2
175.14828	46.3
193.15897	62.9
211.16934	74.9
212.17220	1.8
259.52414	1.5
341.80429	1.7
380.08563	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2446
Annotation	Gln Leu Leu
Peak:m/z	Relative Intensity
50.37038	0.5
55.05505	0.8
55.09721	0.5
56.05035	3.7
60.04529	1.0
67.05501	1.2
69.07064	2.7
70.06598	8.7
72.08157	3.5
81.03420	0.8
82.06624	0.6
83.06104	32.2
84.04506	35.6
84.08144	14.1
85.02889	0.7
86.09707	100.0
91.05475	0.8
93.07011	1.0
96.04502	2.0
96.43893	0.5
98.06036	0.6
98.09687	0.9
101.07156	6.6
107.08563	1.0
108.23657	0.5
110.07182	2.0
112.08713	0.7
113.07113	2.6
116.38507	0.5
119.04951	0.5
119.08607	0.7
120.08092	2.7
124.11221	1.1
129.06595	10.1
129.07523	0.7
129.10240	4.6
130.05014	1.9
131.08543	0.6
131.11821	0.9
132.10207	39.4
136.07635	1.2
137.09647	0.7
141.06610	6.1
143.11801	1.0
148.73111	0.6
152.10693	4.8
155.08109	0.8
157.13416	0.8
159.11519	0.6
163.11241	0.9
165.38419	0.6
169.13333	2.6
173.09239	0.8
183.66533	0.5
185.12840	0.7
192.06425	0.5
193.09967	0.6
194.45142	0.5
196.14459	32.6
197.12866	24.2
204.06705	0.6
214.15509	14.4
215.13940	0.8
222.11285	0.6
224.13947	11.3
225.12292	5.9
242.14993	13.6
243.13451	1.1
245.18713	1.6
260.16046	0.7
270.14606	1.0
306.29892	0.6
355.23395	27.0
356.21973	2.5
373.18210	0.7
373.24622	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.176
Annotation	GS-2
Peak:m/z	Relative Intensity
65.03944	0.5
70.15374	0.5
79.05502	0.3
81.07048	0.3
82.54697	0.2
89.03913	1.5
91.05505	0.2
92.05015	0.2
92.05814	0.1
92.48611	0.2
94.06588	0.3
94.56982	0.2
105.07007	0.3
106.06586	0.3
107.07349	1.6
108.08129	1.1
116.04980	6.9
120.04467	0.9
122.06013	0.2
122.09673	1.8
127.03928	0.2
132.04469	0.2
134.06013	0.6
135.06810	0.4
136.07626	0.3
138.09129	0.2
144.04451	16.1
146.06029	0.2
150.09143	12.5
160.03979	0.2
162.05522	4.8
172.03937	62.9
173.04286	0.7
174.05513	0.3
176.07082	1.0
189.04205	0.4
190.04990	0.4
192.06548	0.3
204.06563	100.0
205.06927	0.8
236.09081	0.4
257.12796	0.5
309.12381	0.4
313.15665	0.4
329.10556	0.2
341.14963	17.9
342.15250	0.2
343.08160	0.4
357.09906	0.2
373.12927	1.6
373.17407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.8
55.05515	17.2
57.88061	3.5
65.03940	4.4
67.05495	16.8
69.03422	11.3
69.07068	19.9
70.06597	24.9
70.20786	13.5
71.04999	8.2
77.30000	4.2
79.05492	6.2
81.03422	6.4
81.07056	20.4
83.04989	8.6
83.08604	7.9
84.04484	3.9
84.08150	23.8
85.02901	14.3
85.06548	6.0
86.09711	19.4
90.96365	4.3
91.05465	9.6
93.07047	16.0
95.04974	5.3
95.08611	33.2
97.06538	6.3
98.09681	4.5
105.07033	13.5
107.08604	28.5
109.06510	8.5
109.10159	89.9
111.08102	3.8
117.07024	4.1
119.08599	35.5
120.08078	4.0
121.06484	5.2
121.10127	13.8
123.08067	12.6
123.11717	8.4
124.07558	4.9
127.03898	5.7
129.10208	10.6
133.10114	30.5
135.11688	86.3
136.07603	3.9
137.09660	18.3
149.13248	9.9
151.11195	8.9
151.14815	11.8
153.12738	3.8
163.11215	4.2
175.14838	46.4
193.15886	52.0
195.30504	3.9
211.16945	100.0
253.71033	4.7
278.80527	3.4
282.61023	4.0
373.13690	6.9
373.17838	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	372.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	44.3
56.73171	20.6
56.96566	25.7
57.03448	31.6
67.05499	65.5
69.03432	46.8
69.07064	42.1
70.06593	88.0
70.81340	52.6
72.08162	25.7
74.15961	19.0
79.05508	52.0
81.03419	35.9
81.07054	100.0
84.08135	51.6
86.09726	28.0
91.05471	66.2
93.07038	70.5
95.04967	30.7
95.08620	57.4
96.04504	22.2
97.06544	46.7
97.10168	25.1
97.52322	20.2
98.09668	24.2
105.07037	68.4
107.08606	43.5
109.06534	24.3
115.07507	20.3
119.08555	30.9
120.08098	31.3
121.06525	77.9
127.03911	22.7
131.08588	29.3
131.74342	21.1
133.10147	29.0
136.07596	30.9
145.10141	22.2
188.81729	21.7
291.19635	46.9
292.12558	40.8
309.20352	26.6
372.17871	46.4
372.25034	38.6
373.15146	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	372.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	12.3
55.76939	5.5
56.24534	4.2
64.10117	5.5
66.71155	4.5
67.05499	11.7
69.07047	6.0
69.83341	12.6
69.83757	18.5
70.06600	7.7
79.05498	11.7
81.07053	19.0
87.04458	7.0
93.07033	6.8
95.04943	6.0
95.08582	9.6
105.07024	10.9
131.08614	6.5
132.02480	5.4
137.05988	23.8
148.39917	4.8
180.16168	4.9
200.10733	18.2
212.10713	8.5
213.11496	5.9
214.12279	9.6
242.15399	19.1
269.26556	7.3
274.18002	14.4
277.18011	58.1
282.18469	10.1
295.19016	8.3
331.17691	20.3
349.18207	36.4
354.24289	100.0
372.17612	6.4
372.21426	13.7
372.25461	43.9
372.34802	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	372.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
53.89249	1.8
55.01873	3.5
56.05035	2.8
56.96548	2.7
57.03436	19.5
59.04978	5.1
60.04519	3.2
61.02921	7.9
65.59077	1.8
67.05503	2.2
69.03433	69.3
70.06597	25.7
70.15993	7.5
71.01353	1.6
71.05002	3.0
72.08135	4.5
73.02914	4.6
75.04487	1.8
81.03413	7.9
83.04985	1.7
84.04516	9.3
84.08150	19.4
85.02911	100.0
86.06078	2.3
86.09704	8.0
87.04472	42.7
91.03947	4.5
96.04500	1.9
96.73275	1.7
97.02898	64.5
98.06055	5.0
98.97594	4.7
99.04445	3.1
102.05553	2.4
103.28613	1.6
107.04926	2.2
109.02858	7.7
110.06018	3.3
110.07177	3.8
110.97586	2.2
112.08800	2.1
115.03937	71.0
116.98631	2.0
119.04999	3.4
120.03490	1.6
120.08109	1.7
127.03915	18.5
129.10251	8.2
130.05037	2.8
132.04431	1.8
133.04976	94.8
136.07600	2.8
145.04970	40.4
147.04443	3.4
150.07614	10.6
163.03902	2.2
163.06018	24.0
169.04930	3.2
183.11227	1.9
184.04980	3.2
187.10773	5.0
193.04823	1.9
210.11201	2.5
216.56302	5.3
218.38672	1.7
219.01640	4.2
223.11790	6.5
237.02774	5.9
241.06827	2.3
259.08112	5.3
277.09152	2.5
281.60339	2.2
295.10223	4.9
318.09311	2.3
336.10742	4.2
354.11771	10.1
371.62473	2.7
372.12671	7.0
372.16803	3.3
372.21375	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	372.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84192	2.8
55.05518	17.2
55.05732	3.1
57.07071	5.4
65.03950	3.3
67.05511	15.8
69.03429	7.2
69.07085	17.4
69.88820	5.7
69.89227	12.5
70.06592	9.0
71.05000	5.5
79.05491	11.0
79.45058	2.9
81.03410	3.1
81.07058	30.8
83.04988	27.1
83.08613	15.7
84.08141	20.9
85.02876	3.6
85.06542	4.7
86.09695	6.0
87.76263	3.5
91.05486	13.3
93.07063	19.2
94.11304	3.0
95.04969	7.2
95.08617	20.1
97.06512	7.0
97.59234	3.6
98.09715	4.2
102.27138	3.1
105.00912	3.7
105.07045	24.1
107.08597	25.4
109.06516	7.6
109.10148	16.9
112.03977	3.3
119.08560	11.2
119.38710	4.1
121.06485	5.5
121.08655	3.5
121.10160	11.1
123.08038	6.7
123.11703	9.3
125.05951	5.7
129.06940	3.7
131.08633	5.4
133.10109	14.4
135.08092	8.1
135.11639	6.2
137.09573	3.3
144.93146	3.3
145.10141	9.3
147.08054	4.6
147.11685	6.4
149.09605	24.6
150.09109	6.6
151.11163	8.6
157.10109	6.7
159.11736	9.1
162.09160	5.2
163.11267	5.1
163.14816	3.8
169.37645	3.9
173.04483	3.5
173.13235	3.1
175.14880	5.4
183.11673	4.1
183.27737	3.3
204.06656	3.8
205.06932	4.8
213.16345	4.8
237.14870	33.8
255.15941	5.6
271.10785	4.3
274.17978	7.1
283.20587	13.4
289.11874	7.6
301.21637	48.1
303.59302	4.3
319.22690	100.0
336.26141	5.0
372.25540	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	371.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01867	7.0
55.05511	44.4
57.03428	5.7
57.07077	9.8
58.46922	1.6
59.04979	2.9
62.25951	1.6
63.11689	1.8
65.43974	1.6
67.05506	100.0
69.03420	6.6
69.07069	51.7
69.70783	3.1
69.71191	7.9
71.04983	6.9
71.08646	9.1
79.05495	43.1
81.07056	89.6
83.04973	8.0
83.08619	27.3
85.06535	6.3
91.05487	17.9
92.54578	1.9
93.07043	43.3
95.04980	2.4
95.08612	77.7
96.08994	1.7
97.06539	13.0
97.10166	26.1
98.09681	3.3
98.20819	2.4
99.08076	7.1
101.06026	2.5
105.07038	14.6
106.88739	1.8
107.08601	45.1
109.06529	6.8
109.10159	57.1
111.04449	2.1
111.08063	7.8
111.11687	4.2
113.09628	2.6
117.07007	6.0
119.08598	9.2
120.05100	1.9
121.10156	17.3
123.08056	1.9
123.11712	13.8
123.83379	1.9
125.09636	17.8
125.47074	1.8
129.05495	2.8
131.08578	9.3
133.10143	8.3
135.08011	4.3
135.11711	27.7
137.09616	2.7
137.13278	12.4
141.09148	2.1
144.06535	1.8
145.10112	7.8
147.11667	8.1
149.13258	6.4
151.11218	2.2
151.14885	4.6
153.12750	11.0
157.10123	2.3
159.11710	6.0
160.96022	2.2
161.13272	6.3
163.14830	6.7
165.12785	4.4
165.16376	2.2
173.11710	8.7
173.13272	10.0
175.14879	3.0
177.12706	1.9
177.16380	2.9
179.14433	2.0
185.38577	1.8
187.14864	4.9
189.11174	12.3
191.14325	3.5
195.13788	2.4
209.15315	3.0
215.39095	2.0
223.16895	4.6
227.12833	10.2
233.22588	4.6
243.21118	12.8
245.13864	6.1
261.22125	33.4
279.23187	79.5
353.26871	90.4
371.28006	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	371.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01867	5.3
55.05516	32.9
57.03435	10.3
57.07068	6.8
67.05505	83.8
67.05841	6.7
69.03437	4.9
69.07067	42.4
71.04982	6.6
71.08638	83.1
71.33127	3.1
79.05499	37.6
81.07056	99.2
83.04998	5.9
83.08612	18.7
85.06539	9.4
91.05479	24.3
93.07043	30.3
95.08611	80.8
97.06521	12.9
97.10176	22.8
98.21524	12.2
99.08099	75.0
101.06080	4.4
103.15696	3.3
105.07034	27.2
107.08604	37.9
109.06463	4.5
109.10171	42.0
111.08121	7.9
113.09675	3.5
116.52122	4.0
117.07022	4.3
119.08594	13.5
121.10149	22.9
123.08060	4.4
123.11721	16.3
125.09662	8.5
127.11219	5.8
129.05501	6.1
131.08568	14.2
133.10155	8.6
135.08006	4.7
135.11731	17.8
137.13261	10.8
143.08632	3.8
145.10159	11.2
147.06522	6.2
147.11681	46.0
149.13260	9.5
151.11189	3.7
151.14813	5.2
153.12750	9.0
157.10081	3.3
159.11699	7.1
161.13286	6.5
163.11197	9.9
163.14758	18.2
165.12706	16.7
167.14319	6.6
173.11751	10.7
173.13297	11.2
173.53223	3.4
179.14134	4.9
181.15883	8.4
186.66202	3.9
187.14894	7.2
189.11218	8.4
210.06766	3.8
218.60512	3.7
233.22603	5.5
243.21068	15.7
255.19563	5.0
261.22137	36.0
279.23203	97.7
353.26871	100.0
371.23752	4.4
371.27921	14.7
394.60544	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	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
50.06411	0.7
54.70097	0.8
55.05500	2.7
56.05027	1.4
57.03428	1.7
60.36995	0.8
61.02911	1.6
65.03953	0.7
65.05788	0.7
67.05495	3.0
69.03416	3.3
69.07088	1.0
69.33620	5.9
70.06599	9.7
71.04997	4.8
71.06941	0.9
72.08163	5.0
78.21335	0.7
79.05493	1.9
81.03427	2.3
81.07063	2.1
83.04968	1.1
83.08581	0.9
84.04526	1.6
84.08149	14.3
85.02905	11.6
85.06556	1.0
86.09702	5.0
89.06008	1.4
91.03949	1.0
91.05477	1.5
93.07039	2.6
94.06548	0.8
95.04969	100.0
95.08593	1.5
96.05315	1.0
97.02903	3.8
97.06535	1.0
98.09686	3.2
99.04456	23.0
105.07040	1.4
107.08595	2.8
109.02888	1.2
109.06552	1.4
109.10165	2.2
110.07152	0.9
111.04459	1.0
111.08099	1.9
112.08740	0.8
117.03461	1.0
120.08089	2.7
121.10149	2.1
122.06062	2.8
123.06386	1.6
123.11714	0.8
126.12792	1.1
127.03952	1.5
129.10255	2.7
130.05051	0.9
131.08591	1.3
133.08571	1.1
133.10120	5.0
135.08061	1.6
137.09656	1.9
140.14378	1.6
145.02910	0.9
145.04985	1.5
147.04250	1.0
149.09634	12.8
151.11247	2.4
153.09106	28.6
165.12776	1.8
173.13239	4.8
176.00851	0.7
177.05492	3.0
191.14307	9.5
209.15364	39.7
297.68503	1.4
299.09451	1.2
327.12704	1.4
353.13953	1.0
370.71307	1.7
371.15027	9.8
371.20013	1.4
371.23196	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71908	6.2
53.03941	9.0
55.01862	9.4
55.05519	50.0
56.50392	7.0
56.96552	8.5
57.03415	16.4
57.07076	13.1
59.04977	11.2
59.26332	8.2
61.02923	20.1
67.05515	58.7
69.03429	47.6
69.07060	27.8
70.06590	22.2
71.04985	53.9
71.52216	12.0
72.08167	8.4
75.55076	8.4
79.05484	34.1
81.03399	15.0
81.07053	82.4
83.04978	29.1
83.08608	18.6
84.04481	9.9
84.08144	59.0
85.02909	49.2
85.06570	11.2
86.09706	11.0
87.04456	21.8
88.55965	7.7
91.03958	15.4
91.05448	38.3
93.07047	79.0
93.07592	12.9
93.93076	7.9
95.04967	31.7
95.08608	82.4
97.02921	37.1
97.06514	36.2
97.10168	24.7
98.09676	44.6
99.04455	11.6
99.08068	10.4
99.10049	13.7
105.07053	61.7
107.08606	100.0
109.06504	22.0
109.10162	71.9
111.04436	18.0
111.11730	9.4
117.07024	13.4
119.08604	68.5
121.06493	28.3
121.10137	64.2
123.04391	11.0
123.08070	18.0
123.11707	35.7
125.06036	10.0
125.09627	52.1
126.12801	25.2
127.03957	13.8
127.11179	28.5
128.06172	8.8
129.05490	21.8
129.07004	10.8
131.08553	30.4
133.10152	54.2
135.08064	14.8
135.11667	51.6
137.09557	18.4
139.11134	17.0
140.14326	11.3
141.07080	7.3
143.08516	24.6
143.10710	67.2
145.10106	40.6
147.04395	12.9
147.08032	15.7
147.11717	43.5
149.09637	20.7
149.13271	30.3
151.11217	11.7
153.12723	17.1
157.10130	24.6
159.08058	9.9
159.11687	35.8
161.09619	12.3
161.13268	19.5
163.11221	17.9
165.12729	10.7
167.10707	8.4
169.12242	12.7
171.11719	18.2
173.13278	15.1
175.11130	12.5
175.14932	13.9
176.10739	11.9
177.12756	14.8
185.13258	8.2
187.09610	18.1
187.14830	8.4
189.12665	10.1
189.16371	27.9
191.10612	9.1
191.14316	11.0
193.15816	10.1
195.11664	11.0
197.13312	8.6
201.16382	20.6
203.17918	13.6
207.17296	8.4
211.14851	10.4
213.16451	9.3
221.19003	21.6
231.13910	9.2
245.19011	18.5
263.20224	12.5
269.19095	8.8
271.44949	7.8
279.90836	8.0
287.19888	11.7
297.68402	37.8
298.18704	8.5
299.20007	23.6
305.21115	15.9
317.21057	32.0
335.22162	31.0
353.23160	49.0
370.71442	32.7
371.23914	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.6
59.10376	2.2
67.05495	7.9
69.03426	12.4
69.07063	7.9
69.32233	19.3
71.04984	5.3
72.82492	2.2
79.05487	4.0
81.03429	3.5
81.07072	6.5
83.04988	11.7
83.08601	3.6
85.02899	14.8
91.05489	3.0
93.07053	9.3
94.24170	2.3
95.04942	4.0
95.08617	21.3
97.06526	4.1
99.08097	5.4
105.07043	8.8
107.08595	31.0
109.06544	7.4
109.10171	16.6
119.08615	3.3
120.82653	2.2
121.06502	3.8
121.10152	38.5
123.08074	3.9
123.11710	6.6
125.09632	10.5
131.08560	2.4
133.10158	12.2
135.08046	13.7
135.11670	6.0
137.09610	9.2
139.11223	5.1
140.92189	2.5
145.04929	2.2
147.11711	10.7
149.09607	14.7
149.13251	20.9
151.11180	100.0
153.09119	3.4
155.01653	2.3
158.10893	4.3
163.14824	15.6
165.12759	9.6
167.10754	2.2
173.13251	15.5
191.14313	94.3
209.15367	88.4
210.15770	2.7
237.39856	2.2
311.57477	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06564	2.2
53.03950	4.9
55.05510	4.5
55.80945	2.5
67.05500	10.0
69.03424	17.8
69.07067	11.5
69.17207	13.7
69.17634	8.8
70.06601	15.7
71.04993	8.1
71.08601	2.7
72.08143	2.3
79.05495	10.1
81.03429	27.3
81.07078	18.1
83.04983	17.9
83.08627	6.0
84.08153	19.1
85.02908	19.9
86.09695	7.4
86.27100	2.6
91.05496	12.1
93.07041	24.0
95.04972	44.3
95.08164	2.4
95.08624	26.4
97.02897	6.7
97.06535	8.7
98.06050	3.3
98.09703	14.6
99.04482	13.8
99.08097	5.9
105.07043	17.7
107.08606	45.8
109.02882	7.2
109.06511	11.9
109.10184	17.7
111.08083	6.0
116.45104	2.5
117.07022	3.4
119.08592	11.2
121.06526	10.8
121.10158	45.2
123.08076	9.0
123.11725	9.6
125.09611	12.4
126.12819	3.6
127.03931	14.9
131.08589	6.5
133.10164	17.1
135.08044	14.4
135.11691	13.3
137.09618	14.4
139.11160	6.9
140.14372	4.9
141.14731	3.7
145.04918	2.7
145.10129	10.0
147.11688	14.0
149.09641	15.6
149.13269	21.7
151.09978	4.5
151.11195	78.9
153.09061	16.3
158.10854	5.2
162.96092	3.1
163.11139	15.3
163.14832	16.3
165.12764	9.5
167.10655	4.1
173.13232	18.3
181.12250	4.3
191.10672	10.9
191.14320	99.9
207.85211	2.9
209.15385	100.0
209.17401	4.8
227.12796	5.3
297.68295	6.1
308.38293	2.4
318.17667	2.3
353.15872	2.8
370.71408	8.0
371.16739	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	371.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82122	0.6
53.03950	10.9
55.01879	3.4
55.05505	5.6
55.86251	0.7
57.03436	2.6
65.03941	0.9
67.05495	6.4
69.03433	25.4
69.07069	9.4
71.01359	0.7
71.04995	9.7
71.20360	1.2
73.02908	0.8
77.03976	0.7
79.05496	15.6
81.03420	100.0
81.07062	26.7
83.04977	3.9
83.08627	0.8
84.08141	1.3
85.02909	8.9
85.06537	2.3
91.05478	8.8
93.07047	52.9
95.04967	4.2
95.08604	5.0
97.02898	5.1
97.06535	6.1
98.09712	2.0
99.04459	17.9
101.06023	1.0
105.07037	25.3
107.04959	1.5
107.08015	0.5
107.08598	33.1
109.02885	39.6
109.06538	9.3
109.10132	0.9
111.04529	1.0
111.08078	10.6
113.06013	1.3
117.06998	3.9
117.83349	0.7
119.08586	10.2
121.06519	14.3
121.10147	39.1
123.08067	2.1
125.06049	1.0
127.03921	68.6
127.07549	2.8
129.07008	1.1
130.07794	2.1
131.08580	2.8
135.08044	9.1
135.11705	10.0
139.07550	2.2
139.11183	2.6
141.59134	0.9
143.08395	0.8
145.05000	1.4
145.10130	24.1
147.08057	0.9
147.11670	3.6
149.05991	1.4
149.08432	1.2
149.09619	20.0
151.07506	1.7
158.07300	1.1
161.09732	1.0
163.11186	62.3
167.10684	23.5
169.08601	7.1
173.09642	4.7
181.12225	16.7
185.11751	2.5
187.06053	1.9
191.10672	48.0
200.14336	1.2
209.11736	19.4
213.07584	0.8
227.12799	18.0
279.53494	0.7
281.14218	0.9
305.46191	0.8
309.17004	3.1
311.14847	4.6
317.13989	2.1
335.14984	2.5
353.15985	14.8
370.71286	1.6
371.17001	28.5
371.21201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03938	1.4
55.01860	1.1
55.05504	1.1
57.03442	2.0
57.07072	0.7
57.83758	0.4
58.39540	0.4
58.81971	0.4
59.04970	0.6
61.02930	2.6
65.71889	0.4
67.05502	2.0
69.03432	11.5
69.07070	2.3
69.32197	3.2
70.06559	0.4
71.04977	1.5
71.45368	0.4
73.02901	1.0
74.03234	0.3
79.05467	1.4
81.03429	7.4
81.07052	4.2
81.13580	0.3
83.04990	2.5
83.08617	0.6
84.08137	1.0
85.02909	27.6
85.06562	0.5
87.04464	0.9
91.03950	0.9
91.05470	1.8
93.07052	2.8
95.04980	3.0
95.08611	4.4
97.02895	7.5
98.09669	0.6
99.04432	1.7
99.08071	0.9
105.07039	3.2
107.04964	0.5
107.08601	8.5
109.02905	2.7
109.06525	5.4
109.10144	2.3
115.03942	0.5
116.19271	0.4
117.06966	0.6
119.08598	2.2
120.08073	1.7
121.06496	1.2
121.08466	0.8
121.10154	11.0
122.07286	1.2
123.08068	4.3
123.11715	2.2
127.03927	4.8
131.08575	1.3
133.10146	3.0
135.08069	2.5
135.11736	0.8
137.09631	10.7
137.13269	0.6
145.04971	5.6
145.10086	0.6
146.73633	0.5
147.11673	1.6
149.08563	0.7
149.09634	7.6
149.13249	4.6
151.11189	13.6
158.10826	0.7
163.11186	1.2
163.14857	0.8
165.12762	40.7
166.13026	0.6
167.10686	0.4
167.41859	0.4
173.13322	2.5
176.11990	0.6
191.10643	0.7
191.14317	14.8
193.15906	1.2
209.15375	100.0
210.15775	2.5
246.85301	0.4
297.68442	0.5
303.47006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.1
52.14045	1.4
53.03952	10.5
55.01865	5.3
55.05514	7.4
57.03438	4.9
67.05508	9.5
69.03432	31.0
69.07070	13.3
70.06613	6.2
70.40523	1.1
70.56787	3.5
71.01362	1.5
71.05003	12.7
72.08163	1.8
72.87920	1.6
74.09669	1.3
75.27940	1.0
79.05488	16.8
81.03422	100.0
81.06589	1.9
81.07059	28.1
83.04980	3.4
83.08596	1.9
84.08136	9.3
85.02905	11.0
85.06542	3.5
86.09715	1.8
91.05475	11.3
93.07050	58.1
95.04996	6.6
95.08624	6.7
96.04451	1.5
97.02898	5.6
97.06548	9.5
98.09711	9.0
99.04462	22.1
101.06005	1.9
103.05515	1.3
105.07040	34.7
106.07390	1.2
107.04976	2.3
107.08601	39.2
108.28936	1.3
109.02884	41.4
109.06512	12.5
109.10150	4.8
111.04410	2.0
111.08110	11.4
111.11723	1.5
113.06056	1.5
117.07029	3.9
119.04947	1.1
119.08577	11.6
120.08123	2.4
121.06515	18.0
121.10148	45.9
123.08085	4.9
126.12800	2.0
127.03922	77.8
127.07586	3.9
129.05450	1.4
130.07806	1.7
131.08597	5.1
133.10149	2.5
135.03059	1.3
135.08052	12.4
135.11694	11.5
137.09619	2.3
139.07549	2.2
139.11205	3.1
140.14326	2.9
143.08531	1.6
145.06502	1.7
145.10132	30.5
147.11681	5.1
149.06027	1.7
149.09616	21.8
151.07558	2.4
153.09093	1.5
154.20805	1.3
161.09583	1.6
163.11185	75.0
167.10683	29.5
169.08624	9.8
173.09610	8.0
181.12248	20.1
185.11766	3.2
187.05988	2.5
189.09152	1.4
191.10686	57.5
209.11743	24.4
227.12793	23.1
260.88202	1.5
297.68399	4.9
309.16995	4.3
311.14832	3.0
314.53644	1.2
317.13760	2.7
330.68100	1.3
335.14908	2.6
336.65750	1.2
353.15973	16.2
370.71335	5.2
371.16998	27.8
371.22003	2.1
377.07947	1.3
394.79779	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.4
53.03944	11.2
55.01864	3.7
55.05508	5.9
57.03437	5.1
60.83008	0.9
61.02917	1.1
64.09576	0.8
67.05498	7.4
67.35365	0.7
69.03431	30.4
69.07069	12.1
70.06594	2.1
71.04995	13.7
71.52055	1.5
73.02914	1.7
77.03921	1.2
79.05067	1.5
79.05495	19.2
81.03419	100.0
81.06587	1.7
81.07056	29.7
81.07531	1.6
83.04986	3.7
83.08607	1.1
83.55591	0.8
84.08152	5.5
85.02908	12.3
85.06537	3.0
86.09725	1.5
87.04460	1.2
91.05476	10.9
93.07046	58.3
95.04971	4.2
95.08600	5.3
97.02891	7.2
97.06525	8.8
98.09681	4.3
99.04455	22.3
99.10059	1.2
101.06009	1.8
103.05461	1.1
105.07038	30.3
106.07482	0.8
106.84981	0.8
107.04951	2.0
107.08596	38.5
109.02883	42.6
109.06513	12.5
109.10151	2.4
111.04448	1.3
111.08086	14.9
111.11703	1.3
113.06036	1.6
115.03954	1.0
115.05441	1.1
117.07065	4.5
119.08578	11.5
121.06510	17.9
121.10143	46.2
123.08076	2.4
123.11734	1.0
125.05976	0.8
126.12817	1.7
127.03918	87.7
127.07510	3.9
129.07005	1.4
130.07826	2.2
131.08563	4.2
133.10150	3.3
135.08058	11.4
135.11714	10.4
137.05959	1.0
137.09601	2.3
139.07532	2.0
139.11203	4.4
140.14384	2.4
143.08545	1.9
145.10120	32.0
147.04427	2.3
147.08099	1.0
147.11703	3.6
149.06009	1.7
149.09619	27.8
151.07561	2.4
161.06021	1.4
163.11180	78.8
164.11562	1.2
167.10683	34.6
169.04932	1.4
169.08626	8.4
173.09651	6.5
181.12222	21.5
185.11743	4.5
187.06058	2.4
189.08989	0.9
191.10678	62.3
192.11028	1.1
209.11729	26.4
209.13660	1.4
227.09402	1.2
227.12782	23.5
253.10713	1.6
293.13696	1.0
297.68491	2.3
309.16989	2.6
311.14832	4.5
317.13715	2.5
335.14914	4.1
353.15961	17.4
370.71405	3.9
371.12512	1.7
371.17068	27.2
371.21643	1.8
372.17517	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01862	0.6
55.05510	7.1
56.05035	3.3
57.03439	0.9
57.07074	0.5
60.07807	0.5
60.26292	0.4
63.02377	0.6
65.03940	0.6
67.05505	0.6
68.05037	0.6
69.03433	3.5
69.07064	1.5
69.66914	2.8
70.06594	15.8
70.79889	0.5
71.04998	1.4
72.08157	6.6
73.04752	0.4
74.06081	0.8
75.04480	0.8
79.05502	1.1
80.05018	0.9
81.03426	4.2
81.07066	1.1
82.06577	1.4
83.04984	1.6
83.08640	1.6
84.04507	88.6
84.08148	8.6
85.02918	4.2
85.06549	0.7
85.08489	0.7
86.09710	8.2
86.10196	1.0
88.04008	0.6
89.03909	5.3
89.06046	0.8
91.05498	1.6
94.06532	0.6
95.01321	0.6
95.04981	0.9
96.04493	0.5
97.02908	4.1
97.06491	0.6
98.06057	100.0
98.09698	1.6
99.06376	0.6
99.09966	0.7
100.07609	3.3
100.11257	6.5
102.05573	0.7
103.05477	0.7
106.04169	0.5
107.04958	6.4
107.08569	0.6
108.04471	0.6
109.02879	9.7
109.06542	1.1
110.06015	1.3
110.07208	2.9
111.00820	1.0
111.04469	3.4
112.07599	1.4
112.08749	1.0
114.05527	1.9
115.08679	0.9
116.07095	1.4
117.03387	15.6
119.04930	0.7
120.08121	2.4
121.06501	0.7
122.05978	1.0
123.08076	1.4
124.03912	0.6
124.08433	1.0
125.09597	0.7
126.05523	1.5
127.03918	8.1
128.07092	3.3
129.01831	1.7
129.10245	3.8
130.05000	12.2
131.08548	0.7
132.08087	0.9
133.10121	1.0
134.03683	0.8
134.05960	0.7
135.04390	0.8
135.08095	0.7
136.07573	1.3
140.07047	4.3
145.02852	34.6
145.04932	3.3
147.04410	1.2
149.05981	5.4
149.09616	1.9
150.09998	1.1
152.10327	0.5
153.09004	0.5
154.04979	1.4
157.09843	0.5
164.06998	0.6
173.13184	0.6
177.05475	61.6
178.05836	0.7
178.09377	0.7
182.15396	7.7
188.07066	5.0
191.14346	2.8
194.02116	3.3
206.08089	0.8
208.73030	0.5
209.04448	7.2
209.15215	2.9
210.14883	10.3
227.17592	2.6
228.08644	5.6
228.55782	0.7
230.24832	0.5
238.07051	2.0
244.20175	2.2
256.08188	8.4
258.14673	0.7
274.09128	2.2
327.12643	3.6
328.11093	1.1
335.12454	0.7
336.22604	1.0
337.21213	3.4
353.08496	1.8
353.13403	2.4
353.17157	1.1
354.23911	6.3
371.11237	2.1
371.15088	11.8
371.22604	0.9
371.26825	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	371.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.5
55.01869	6.3
55.05508	6.5
56.05011	1.3
57.03426	4.3
57.07067	1.6
59.05003	1.5
61.02918	1.4
67.05510	11.0
69.03432	31.4
69.07072	13.9
70.06595	9.0
71.04990	18.2
72.08147	2.7
72.93786	2.0
73.02923	1.7
79.05490	20.2
81.03416	100.0
81.06586	2.0
81.07053	32.3
83.04987	4.4
83.08640	1.3
84.04484	1.5
84.08145	22.9
85.02905	18.6
85.06533	4.6
85.08442	2.7
86.09689	4.5
87.64353	1.1
91.05466	13.4
93.07042	64.8
95.04971	6.5
95.08602	7.9
97.02895	8.5
97.06531	11.0
98.09689	17.8
99.03851	1.7
99.04455	23.0
99.09994	3.0
101.06026	1.5
103.05423	1.3
105.04530	1.4
105.07029	31.1
107.04936	2.4
107.08590	44.0
108.01937	1.3
109.02882	43.4
109.06514	15.8
109.10134	4.3
110.06032	1.1
111.04449	3.3
111.08086	15.5
113.05997	3.0
115.08661	1.1
117.07034	6.2
119.04942	2.5
119.08591	13.4
120.08110	4.5
121.06503	14.8
121.10143	48.0
123.08068	4.4
125.09624	1.3
126.12798	5.8
127.03921	73.0
127.07551	4.6
127.13097	1.8
129.05464	2.2
129.07059	1.3
129.10246	2.3
130.07773	3.2
131.08589	5.9
133.10114	6.0
135.08058	12.6
135.11691	10.5
137.05969	1.2
137.09645	2.4
139.07541	2.6
139.11243	2.1
139.82399	1.1
140.14342	10.2
141.14638	2.3
143.08557	1.8
144.13812	2.6
145.02745	1.1
145.04956	2.7
145.09067	2.1
145.10129	31.8
147.04417	6.6
147.11710	5.3
149.06070	1.7
149.09625	27.9
151.07494	2.7
151.11102	1.3
159.07922	1.2
163.11180	74.2
165.12741	2.3
167.10669	27.4
169.04855	1.4
169.08635	10.7
173.09682	7.8
173.13242	3.4
175.07628	1.3
181.12218	20.6
185.11725	2.9
187.06004	2.4
191.10672	62.1
191.14258	3.6
192.10985	1.4
193.08499	1.7
209.11720	23.1
209.15227	7.5
227.12778	25.6
253.05215	2.1
253.10638	1.9
257.04611	1.6
281.04636	2.4
297.18402	1.3
297.68362	8.2
298.18741	3.1
309.16809	3.4
311.05508	1.3
311.14868	3.1
317.13959	1.6
335.14822	1.7
339.12140	2.7
341.06836	2.7
353.11670	1.8
353.15897	13.4
370.71439	12.6
371.07733	1.7
371.12445	3.4
371.16995	28.0
371.21466	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	370.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.3
67.05249	1.6
67.05509	20.0
69.03440	3.2
69.07064	5.1
70.05676	1.8
70.06577	4.4
70.70156	6.3
71.04985	9.3
71.56363	1.8
79.05481	8.1
80.36795	2.0
81.07055	28.3
83.05006	2.4
84.08148	17.0
85.02903	6.1
90.58860	2.2
91.05472	10.4
93.07045	17.3
95.04967	6.5
95.08607	47.4
97.10176	1.8
98.09696	17.7
102.62664	1.9
105.07021	9.1
107.04929	2.3
107.08607	12.4
108.79334	2.1
109.06520	20.8
109.10161	21.7
111.04451	2.9
117.07009	2.4
117.42885	2.0
118.69685	1.9
119.08582	53.5
121.06476	5.8
121.10154	9.3
123.08038	3.3
126.12781	5.6
131.08601	3.1
133.10130	8.4
135.08037	12.3
135.11739	6.8
137.05943	3.2
137.09610	18.7
140.14314	7.7
143.08490	2.7
145.10141	10.8
147.04420	6.3
147.08051	17.2
147.11650	3.8
149.09642	2.6
149.13264	4.1
153.09111	2.8
157.10054	2.7
159.08105	2.5
159.11702	9.1
161.09653	4.6
161.13251	3.9
163.11142	4.4
165.09119	100.0
169.10104	3.6
171.11662	5.7
173.09608	8.1
173.13211	3.6
175.14842	24.1
177.97108	2.0
183.10165	3.0
183.11591	2.2
185.13181	2.4
187.11151	4.0
187.14812	4.1
189.12814	2.3
201.09119	3.6
201.16399	16.3
202.09856	2.4
205.12302	2.2
211.14816	4.5
229.15874	40.8
246.11200	5.5
247.16945	41.1
249.14845	5.2
265.18005	80.6
265.20908	4.5
271.07135	2.1
297.18353	8.3
297.68585	4.0
317.21179	3.3
363.84744	2.4
370.20883	15.6
370.71301	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	370.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
57.07077	23.4
61.67345	0.9
62.06102	1.0
69.07084	1.5
70.63844	2.5
71.08637	46.7
71.84337	0.9
72.73603	1.0
77.03942	1.5
79.05531	1.0
85.10188	22.2
85.10674	2.2
89.06037	28.1
91.05493	6.1
93.07047	14.9
95.04982	4.5
103.05486	3.7
105.04548	1.2
119.04902	1.6
121.06511	63.7
127.14834	2.8
130.08575	1.1
133.08621	13.1
139.07530	5.5
147.08078	3.1
162.09164	0.9
165.09116	32.2
183.10150	1.9
202.53033	1.0
209.11787	3.1
227.12787	100.0
370.40424	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98016	4.2
52.89196	3.6
53.03944	12.6
55.01867	5.4
55.05515	40.1
57.03441	20.4
57.07065	10.4
59.04972	4.8
59.54672	3.6
62.22886	3.6
65.03919	4.5
67.05510	99.8
69.03429	8.4
69.07064	36.9
70.06599	8.4
71.04981	8.6
71.08631	31.8
71.52002	6.8
71.52374	5.0
73.02924	3.6
79.05492	62.1
81.03407	18.6
81.07058	100.0
83.04980	13.4
83.08625	29.2
84.08137	10.1
85.06527	9.3
85.10164	3.8
87.78062	3.7
91.05476	47.2
92.77618	3.7
93.07045	76.1
95.04954	24.9
95.08611	50.9
97.06538	12.6
97.10155	12.3
98.09691	4.6
99.08089	27.8
105.07047	43.6
107.04965	5.1
107.08607	46.0
109.06519	15.0
109.10160	33.5
111.08073	6.9
117.07032	14.7
119.08587	28.4
121.06491	11.4
121.10148	27.2
123.08073	12.9
123.11720	8.8
125.05988	6.4
125.09650	12.4
129.06947	6.2
131.08542	21.2
132.99527	4.6
133.10144	28.5
134.09622	7.0
135.08075	10.4
135.11690	25.3
137.05965	22.6
137.09587	6.2
142.97989	8.3
143.08600	8.0
145.10086	20.9
147.11693	18.4
149.09645	6.7
149.13254	28.6
151.07561	8.2
151.11182	48.7
157.10162	8.9
159.11716	15.0
161.13255	19.5
163.11186	15.3
165.12753	10.9
167.31532	4.3
171.11732	10.9
173.11789	9.6
173.13203	4.6
175.11160	4.9
175.14818	8.6
177.05443	4.6
177.09126	4.4
177.12796	4.8
179.14340	13.7
185.13243	7.7
189.11270	8.6
189.12744	7.5
190.99992	7.6
195.12024	3.5
195.13828	15.5
200.59978	4.2
203.14316	5.0
207.13791	7.3
211.14764	5.2
227.12842	9.3
228.13774	4.3
233.15419	5.8
241.19444	6.9
259.20538	20.6
269.17514	41.6
277.18076	18.3
277.21658	71.9
290.13486	8.1
295.19186	4.0
351.25513	42.9
369.23163	4.9
369.26385	15.9
370.21133	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01881	10.1
55.05508	58.3
56.96582	4.1
57.03444	30.6
57.07097	8.3
65.03926	5.2
67.05506	96.4
69.03452	5.3
69.07068	44.5
69.33806	3.6
69.34096	37.2
70.06599	8.9
71.04995	16.9
71.08315	3.8
71.08643	29.8
76.58669	5.1
79.05496	80.2
81.03453	9.6
81.07061	100.0
83.04980	18.5
83.08612	35.1
84.08143	11.1
85.02895	9.8
85.06541	9.4
91.05482	62.4
93.07041	83.2
95.04974	30.5
95.08607	65.8
97.06532	17.1
97.10162	11.1
98.09689	11.2
98.21500	9.8
99.08106	29.2
105.07028	54.1
107.04955	4.7
107.08597	57.2
109.06524	11.8
109.10163	36.6
111.08078	8.3
117.07036	18.7
118.97951	5.3
119.08596	35.2
121.06528	6.9
121.10145	38.2
123.08036	8.6
123.11736	11.1
123.70995	4.0
125.09635	12.8
129.07040	7.6
131.08546	28.3
132.99652	4.1
133.10127	34.3
134.09637	63.8
135.08043	16.0
135.11696	32.0
139.11180	5.1
140.14394	4.8
143.08557	13.0
145.10088	26.9
147.11691	23.1
149.09648	13.6
149.13258	31.5
151.07582	5.4
151.11176	44.1
157.10138	11.9
159.11717	22.7
161.13280	15.9
163.11176	15.9
165.12749	5.9
167.10712	10.6
171.11685	9.5
173.11772	11.0
173.13199	6.5
175.11163	4.9
175.14879	8.5
177.12761	10.6
178.06256	6.5
179.14287	11.7
185.13284	6.6
187.14847	9.0
189.11217	15.5
189.12749	10.2
191.00169	4.7
195.13828	11.3
199.14865	7.5
204.13889	12.6
207.13831	6.6
231.21176	7.9
232.13304	15.9
233.11679	8.9
233.15346	9.9
241.19461	8.7
245.13873	4.9
253.17946	6.2
259.20526	13.5
269.17426	30.6
277.21643	92.8
295.22678	6.6
351.25406	61.7
369.26041	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02731	1.7
53.03949	13.8
55.01881	4.1
55.05311	1.8
55.05515	19.6
57.03445	3.6
57.07071	6.0
67.05510	55.5
69.03437	4.7
69.06692	2.0
69.07072	39.4
70.63376	4.1
71.05003	2.4
71.08623	3.3
79.05498	32.1
81.02943	3.2
81.03422	49.6
81.07065	45.9
83.04990	14.7
83.08627	6.1
85.06570	2.7
85.10194	2.5
91.05492	21.9
93.07051	32.2
95.04970	32.7
95.08608	18.9
96.04549	1.8
97.06524	4.7
97.10143	6.4
99.08081	2.0
103.58592	2.0
105.07029	19.5
107.08599	24.9
108.55876	1.9
109.06538	8.5
109.10172	17.6
111.08076	2.8
114.94957	1.6
117.07024	3.8
119.08574	13.1
121.06500	2.0
121.10154	10.6
123.08073	5.6
123.11685	4.9
125.09641	6.9
129.07007	5.3
131.08574	6.6
133.10112	13.4
135.08075	4.0
135.11702	8.5
137.09636	3.3
139.11282	2.4
143.08553	2.3
145.10139	5.6
147.11684	13.1
149.09656	2.7
149.13251	5.8
150.58279	1.7
151.11188	34.2
153.09076	2.9
157.10092	2.9
159.11745	3.1
161.09578	2.2
161.13283	10.9
163.14833	5.2
165.12807	9.7
171.10225	3.1
171.11650	3.9
173.13177	2.1
175.14784	3.8
177.12813	2.9
179.14328	6.2
181.12227	2.7
183.11710	1.8
185.13258	3.6
189.11215	3.7
189.12756	5.2
195.11673	2.0
207.13768	3.3
231.21075	6.1
241.19528	4.7
249.22150	5.3
259.20529	9.4
277.21640	100.0
351.25360	70.2
369.24326	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01871	4.7
55.05509	16.8
57.03428	5.8
57.07076	2.9
59.04997	1.6
67.05509	41.3
69.03434	2.1
69.06797	1.2
69.07072	13.1
71.04980	2.5
71.08636	35.0
71.52045	1.6
71.52431	1.6
79.05499	40.5
81.03419	5.9
81.07059	46.6
83.04973	7.0
83.08630	9.3
84.19572	1.6
85.06513	2.4
85.98341	1.6
91.05483	25.4
93.07051	54.5
93.07640	3.3
95.04966	7.5
95.08616	30.6
97.02810	1.5
97.06528	7.9
97.10181	5.0
99.08102	26.0
100.82135	1.5
105.07043	20.6
107.04938	7.2
107.08591	31.1
109.06542	3.9
109.10166	15.5
111.08072	2.2
111.11799	1.5
117.07011	5.7
119.08596	13.1
121.10149	24.5
123.08073	2.6
125.09635	1.8
129.06975	2.3
131.08560	5.8
133.10124	14.8
135.08099	2.4
135.11697	30.5
137.09584	4.6
141.09111	2.4
143.08554	2.9
145.10133	7.0
147.07988	1.5
147.11664	6.4
149.09616	2.2
149.13293	11.4
151.11200	13.6
157.10175	2.3
159.11722	3.3
161.09534	2.1
161.13240	11.2
163.11176	4.5
163.14813	3.0
165.12784	2.3
167.10739	1.5
171.11710	3.4
173.11682	1.8
173.13252	2.4
175.14833	2.4
177.12759	2.8
179.14322	100.0
185.13243	3.1
189.11189	2.5
189.12689	3.6
195.13826	2.9
207.13680	1.9
208.57899	1.5
221.15392	3.1
227.12877	2.2
235.16910	4.3
241.19460	3.0
259.20602	7.5
277.21637	56.5
313.12241	1.8
351.25336	68.1
365.19626	1.5
366.85135	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	369.2429
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03952	3.9
55.05503	13.1
56.96576	4.3
57.03431	3.5
57.07062	17.1
59.05007	5.1
63.87514	3.9
65.17351	3.4
67.05524	28.6
69.03438	8.8
69.07080	17.7
69.82103	14.4
70.06620	5.2
71.04993	17.0
71.08649	7.8
79.05497	19.1
81.07075	28.1
83.04978	10.5
83.08604	10.8
84.08127	6.5
85.06564	19.1
85.10163	4.3
86.03915	3.8
87.49392	3.8
91.05507	30.8
91.05991	5.4
93.07049	30.9
95.04986	36.2
95.08612	24.8
97.06526	18.1
98.21497	4.9
99.04433	4.6
105.07051	37.9
107.08609	31.9
108.79240	4.3
109.06522	26.2
109.10160	16.7
111.08089	5.5
113.05998	7.4
113.09642	7.2
115.05464	4.7
117.07032	12.4
119.08604	27.9
121.06516	8.2
121.10175	19.9
121.97887	3.8
123.08059	15.6
123.11743	4.0
128.06229	5.1
129.07008	11.0
130.07803	4.4
131.00056	6.9
131.08594	36.1
132.99588	7.4
133.10138	31.0
135.08058	21.2
135.11742	6.5
137.06026	12.3
137.09628	12.2
141.07010	4.8
142.07784	13.2
143.08607	17.8
145.06538	4.4
145.10139	41.4
147.08046	8.1
147.11693	29.0
149.09662	11.5
149.13336	4.1
151.07544	10.9
155.08582	8.8
155.10661	5.4
156.09346	13.7
157.10152	24.3
159.08089	8.8
159.11729	18.6
161.09679	12.1
161.13345	5.4
163.11174	9.2
165.06992	5.0
165.12712	7.6
167.08545	6.4
169.10150	13.6
170.10960	4.9
171.11708	27.2
172.12297	4.1
173.09647	7.9
173.13303	11.3
175.11214	18.9
176.98624	4.3
179.10837	4.6
180.09401	5.2
181.10088	9.3
182.10953	7.5
183.11690	15.5
185.13246	11.8
187.11195	6.3
189.00545	8.6
189.12735	22.0
191.00134	9.0
191.14307	5.3
193.10208	9.1
193.12180	7.3
195.11678	11.9
197.13326	10.7
199.11264	4.8
199.14746	4.2
201.12717	7.4
205.01717	4.9
207.11827	9.4
207.13748	6.2
209.13261	13.3
211.14905	8.7
213.12784	15.0
215.14357	14.7
221.13324	5.6
223.14883	5.7
225.12750	4.7
225.16414	6.9
227.14323	8.8
229.07524	5.1
229.12141	6.6
233.15474	7.3
235.14711	5.1
241.15921	6.2
251.18089	4.5
253.15871	4.7
267.17456	11.0
269.15457	4.6
269.19000	7.9
271.17014	8.9
275.17783	3.6
277.15405	4.4
277.21713	7.8
286.19327	8.9
293.19122	7.8
309.22174	5.2
311.20081	14.5
326.22562	4.6
333.22174	6.3
351.14615	11.6
351.23141	32.4
365.42114	4.0
369.16150	4.8
369.24326	100.0
369.28763	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.01873	11.9
55.05266	3.2
55.05512	29.0
57.03441	42.9
57.07072	6.7
59.04997	4.6
65.03935	4.4
67.05507	90.5
69.03410	5.4
69.07069	30.4
69.45126	10.9
69.45529	5.9
70.06601	2.7
71.04985	6.4
71.08639	5.4
77.03925	3.1
79.05495	67.8
81.03426	2.9
81.07057	93.1
82.55389	2.0
83.04971	5.8
83.08626	16.6
85.06541	14.3
91.05482	54.7
93.07043	100.0
95.04967	13.0
95.08612	83.9
95.09229	1.9
97.06531	19.2
97.10186	11.8
98.09653	2.8
99.08099	12.1
105.07023	56.6
107.04937	3.1
107.08596	70.6
109.06514	14.1
109.10157	35.5
111.08087	6.6
113.05991	3.3
113.09636	3.6
117.07011	22.3
119.08584	49.5
121.06541	4.9
121.10145	57.9
123.08072	21.1
123.11701	6.6
125.09637	6.7
129.06992	9.6
131.07027	8.3
131.08571	41.9
133.10130	38.1
135.08064	5.1
135.11697	39.6
137.06000	6.6
137.09601	10.3
137.13235	3.1
139.11143	3.9
141.09024	3.4
143.08549	8.3
145.10115	34.3
147.08029	4.3
147.11682	40.9
149.09622	4.9
149.13251	21.5
151.07558	6.6
151.11195	8.0
155.10645	2.9
157.10126	8.3
157.11400	2.7
159.11694	30.5
161.09581	4.0
161.13203	17.5
163.11166	7.8
163.14778	3.4
165.12746	6.6
171.11673	13.4
173.13255	11.7
175.11252	3.2
175.14848	11.3
177.12772	6.6
177.16396	4.1
179.14326	8.3
185.13203	13.4
187.14833	32.5
189.12759	10.3
191.14391	3.3
193.15894	3.4
195.13805	4.6
199.14848	6.3
201.12836	2.7
201.16504	4.9
203.18005	5.2
205.15863	16.8
207.13931	3.1
210.79114	2.6
213.16356	3.0
219.17470	6.9
221.19067	7.1
231.21107	3.2
241.19531	18.1
242.01575	2.3
259.20572	42.0
269.17447	2.8
277.18402	5.0
277.21625	97.5
295.22800	4.2
297.65378	2.6
334.07135	3.0
351.25323	97.3
351.29654	4.8
369.24292	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	369.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01861	5.4
55.05518	5.7
57.03444	3.7
57.07067	1.0
57.69023	0.5
67.05503	7.1
69.07069	6.0
69.93903	1.8
70.06584	0.7
71.04990	1.3
79.05496	7.1
81.03410	0.7
81.07059	25.9
83.05000	2.5
83.08641	2.6
84.08136	1.8
85.06536	0.9
91.05475	4.9
93.07053	6.2
95.04963	1.0
95.08608	6.7
97.06513	1.2
97.10158	0.5
98.09705	0.9
98.21404	0.9
105.07036	4.4
107.04980	0.7
107.08607	5.6
109.05801	0.8
109.06521	12.0
109.10153	3.4
111.04441	16.0
111.08127	1.2
115.05518	0.6
117.07025	0.6
119.08582	5.5
121.06540	1.5
121.10165	3.8
123.08055	2.5
123.11717	2.4
125.05990	5.5
125.09621	0.8
127.03922	0.7
129.07040	0.8
129.10341	0.5
131.08572	2.1
133.10144	4.5
135.08043	3.7
135.11703	4.0
137.05981	100.0
137.13249	1.8
138.06306	0.6
139.07550	0.9
140.14362	0.7
142.07738	0.6
143.08572	1.8
145.10135	2.3
147.08041	0.9
147.11693	6.6
149.09615	4.9
149.13246	1.7
151.07533	2.9
151.11140	1.2
157.10133	1.9
159.11684	1.5
161.09637	5.9
161.13249	2.8
163.07574	1.9
163.11156	3.2
164.07896	1.7
165.09123	2.1
165.12752	1.3
169.10092	0.7
171.08081	0.7
171.11545	1.2
173.13292	0.9
175.11180	5.0
175.14732	0.8
177.12842	0.7
179.10690	2.4
181.12303	1.1
185.13406	0.6
189.12750	1.4
193.12227	1.6
195.11659	0.5
203.17978	6.2
205.19479	0.7
213.16402	2.8
221.19043	1.9
223.14731	1.1
231.17447	9.0
241.15874	1.7
249.18536	10.7
277.17999	79.9
278.18201	1.1
295.19019	9.2
303.81799	0.6
351.21661	13.1
369.18146	0.9
369.22433	8.8
370.21118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.5
55.05521	0.9
56.05035	0.5
57.03437	0.6
60.04517	0.5
65.03956	0.6
67.05512	1.8
69.03442	0.5
70.06599	4.1
72.08167	1.9
77.03938	0.7
79.05476	0.5
81.03419	0.7
81.07102	0.5
82.06570	3.3
84.04527	0.9
84.08144	3.4
85.02917	0.8
86.09727	2.2
91.05499	1.2
92.05819	0.6
93.07043	0.9
96.51107	0.4
97.02921	0.7
98.06076	1.2
98.09731	0.6
105.07047	0.5
110.06042	8.0
110.07186	0.9
112.08739	0.5
120.08131	1.4
121.10160	0.4
122.06047	1.6
126.05518	5.1
128.07089	0.9
129.10243	1.9
133.06494	1.1
136.07584	52.0
137.07985	0.5
140.07103	0.5
150.79848	0.4
152.07045	0.7
164.07077	100.0
165.07458	0.7
182.08139	89.7
183.08511	1.0
197.61948	0.4
259.10843	0.9
319.12454	0.4
326.12100	1.0
341.26767	0.5
351.12509	0.6
369.13602	1.8
369.19989	1.6
369.24207	0.6
370.10919	3.7
370.15015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.181
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
53.03956	0.4
55.01874	0.4
55.05515	2.2
57.03429	0.8
57.07090	0.4
58.78595	0.3
65.18442	0.3
67.05505	4.3
69.07056	1.3
70.06587	0.5
70.84867	0.8
71.04967	1.7
71.08615	1.5
79.05489	2.6
81.03408	0.7
81.07052	3.5
83.04987	0.7
83.08615	1.3
84.08140	0.6
85.06548	0.6
91.05472	2.0
93.07043	3.2
95.04955	1.4
95.08601	2.4
97.05255	0.3
97.06572	0.5
97.10139	0.9
98.09698	0.5
99.08093	1.4
105.07025	2.5
107.08593	2.0
109.06520	0.8
109.10162	1.1
111.08054	0.4
113.09663	0.7
117.07019	1.1
119.07349	1.8
119.08575	1.4
121.06434	0.4
121.10146	1.1
123.08108	0.4
123.11682	0.4
125.09688	0.5
129.06995	0.5
131.08543	0.9
132.99612	0.5
133.10130	1.2
134.09653	100.0
135.09998	0.8
135.11697	1.2
137.09549	0.4
139.11200	0.4
142.98045	0.4
145.10135	0.9
147.11720	1.0
149.13234	0.6
151.07687	0.4
151.11150	2.0
155.52130	0.3
159.11761	0.7
161.09593	0.6
161.13251	0.8
163.11214	0.6
165.12794	0.9
171.11690	0.4
173.11760	0.6
174.74017	0.4
175.14856	0.5
189.11159	0.5
191.00230	0.4
204.13844	18.3
227.12839	0.6
232.13336	24.5
233.13568	0.4
259.20660	0.5
269.17313	0.4
277.21655	4.6
295.22684	2.4
311.19458	0.3
351.25381	2.7
369.26117	1.4
382.24423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.05511	0.6
56.05030	0.5
57.03443	0.7
60.04519	0.6
60.05663	0.3
61.02940	0.5
65.03922	0.4
67.05490	1.8
69.03438	1.9
70.06593	3.7
70.61008	0.9
72.08175	1.0
79.05505	0.9
81.03432	1.0
82.06580	2.9
84.04514	0.7
84.08144	3.4
85.02912	3.8
86.09703	1.4
88.04009	0.4
91.05492	1.3
93.07052	0.7
97.02898	1.1
98.06055	0.7
103.05472	0.5
105.07032	1.5
108.08112	0.5
109.02905	0.5
110.06044	8.0
110.07201	1.0
112.07632	0.5
112.08741	0.4
120.08094	0.4
122.06036	1.1
126.05512	5.1
127.03921	0.8
128.07085	0.8
129.10233	1.2
130.12471	0.4
133.06502	6.9
136.07582	55.0
137.07935	0.6
138.05466	0.4
140.07071	0.8
142.14265	0.4
143.08528	0.4
145.04941	0.4
145.06517	0.5
147.04350	0.6
152.07072	1.2
153.31673	0.4
164.07071	100.0
165.07448	0.9
171.08080	0.6
182.08136	88.3
183.08481	0.9
198.09203	1.3
207.14693	0.4
214.08560	0.5
255.11285	0.4
259.10706	1.3
282.44815	0.4
283.10495	0.4
309.78192	0.4
333.14459	3.9
337.13718	0.8
351.15244	1.4
351.19138	1.7
369.13504	0.9
369.20264	9.0
370.10754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01869	1.9
55.05273	0.9
55.05516	11.9
57.03430	2.4
57.07068	1.4
58.06610	3.2
59.04996	0.8
60.04527	14.2
67.05176	1.0
67.05511	12.6
68.05021	2.7
68.35810	0.6
69.03427	2.2
69.07069	9.0
70.06593	4.5
71.05000	8.7
71.25232	1.1
72.04501	0.6
72.08158	0.8
74.09686	0.7
79.05499	12.4
79.86674	0.7
80.05012	1.8
81.03416	1.2
81.07056	10.6
82.06608	1.2
83.04992	2.4
83.08633	6.3
84.04491	1.3
84.08150	6.0
85.02897	0.7
85.06553	3.1
86.09708	17.9
88.07610	1.9
89.76421	0.6
91.05487	6.6
92.01221	0.6
93.07053	9.9
94.06572	3.1
95.04973	5.4
95.08621	5.0
96.08139	2.9
97.06541	2.5
97.10179	10.6
98.06074	0.8
98.09706	0.9
99.44872	0.7
100.07626	1.8
105.07036	7.2
105.20929	0.8
106.06513	0.8
107.04964	1.8
107.08593	9.6
108.08101	2.9
109.06537	4.0
109.10188	4.5
110.06054	2.1
110.07130	0.9
111.04447	1.0
111.08086	1.1
112.07611	15.0
113.06021	1.7
115.05427	0.9
117.07025	2.8
119.08572	3.6
120.08125	1.1
121.06524	2.7
121.10155	4.8
122.09677	6.2
123.08068	2.9
125.09639	9.1
128.10724	17.3
129.06996	1.1
130.08675	1.8
131.08577	2.7
133.06511	0.8
133.10143	2.3
134.09625	1.4
135.08073	5.5
135.11720	2.2
136.11203	2.4
137.09641	2.0
138.12769	1.9
141.06999	0.8
143.08533	1.1
145.10120	2.7
146.09637	0.8
147.08003	1.0
147.11671	1.0
148.11180	1.1
149.09618	1.9
150.09074	1.0
153.09093	0.8
154.08655	6.0
159.11725	2.3
161.09641	0.8
163.07549	7.7
163.11214	0.8
171.11743	1.1
172.09676	5.8
173.13264	0.8
175.11246	0.7
177.12770	1.8
180.13831	9.7
181.08638	3.2
183.11786	0.8
185.13155	0.9
187.11241	1.2
189.11223	6.9
191.03445	1.6
196.13385	1.3
199.09636	1.0
217.15895	0.7
220.17110	0.8
221.15341	2.0
222.14961	1.3
223.13281	5.1
233.65483	0.6
238.17966	0.8
241.14203	0.8
253.29938	0.6
257.50513	0.8
263.16495	0.9
263.20004	0.9
272.20148	1.9
273.18469	3.8
276.20560	0.9
290.21185	6.0
291.19504	5.2
308.22186	8.2
332.22354	1.5
350.16309	1.2
350.23312	13.2
368.24341	100.0
369.24829	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	369.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01884	2.7
55.05513	0.9
56.05033	1.3
57.03444	9.5
57.14305	0.5
58.71545	0.5
59.04986	0.7
60.04525	1.3
61.02929	6.8
65.68298	0.5
66.89669	0.6
67.05502	0.9
69.03436	22.6
69.07062	0.5
69.71524	0.9
69.71933	2.5
70.05479	0.5
70.06600	10.1
71.01342	0.6
71.04987	2.3
72.08156	3.6
73.02936	3.3
74.06089	0.6
75.04504	2.5
79.05509	2.8
81.03425	8.8
82.06563	0.9
83.04994	1.3
83.06107	0.7
84.04523	4.5
84.08151	12.0
85.02914	52.7
85.08478	0.7
86.09716	6.8
87.04486	4.9
87.05599	1.3
90.05570	0.7
91.03954	2.3
91.05463	2.9
94.06530	0.7
95.04955	0.6
97.02901	16.7
97.06510	0.7
98.09685	1.1
99.04446	3.9
101.02363	0.7
102.05539	0.9
103.03953	2.4
103.05476	2.9
105.07043	23.9
107.04973	1.1
109.02901	6.7
110.06051	1.3
110.07158	3.0
112.08730	0.9
115.03966	1.1
115.05450	1.8
116.07058	0.6
117.05525	0.9
117.07029	0.8
119.04954	1.1
120.08138	1.6
122.06044	0.7
127.03931	14.4
128.06247	1.9
129.07021	0.9
129.10260	6.5
131.04959	2.5
131.08568	0.6
132.05721	0.7
133.06505	100.0
134.06873	0.9
136.06523	0.8
136.07585	14.8
137.07875	0.9
143.08588	1.8
145.04962	6.8
145.06503	3.9
147.04398	1.5
147.11305	0.6
149.09644	0.7
153.07042	0.6
155.11810	0.8
156.07724	0.6
157.06499	0.7
157.73877	0.5
159.08070	1.2
164.07092	10.2
171.08064	11.9
175.07637	0.6
177.05479	0.9
182.08148	11.1
184.13383	0.6
187.08769	0.5
189.09218	1.1
194.07924	0.8
202.08553	0.7
207.10141	3.8
207.15140	0.8
218.14978	1.9
247.10741	2.6
341.15192	0.6
341.26550	0.6
351.19336	1.5
369.13934	1.7
369.20221	8.6
370.11026	1.5
370.15280	0.9
389.14828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.8
53.03945	0.9
55.01871	2.6
55.05499	0.5
56.05019	0.7
56.96559	0.8
58.06616	0.4
60.04519	0.9
61.02929	0.5
61.52712	0.3
65.03931	0.4
67.05491	0.6
68.05029	0.5
69.03424	1.5
70.02969	0.4
70.06584	3.0
70.10203	0.6
70.10602	0.7
72.08148	1.4
73.02922	0.4
74.06094	0.5
79.05492	0.6
79.14130	0.3
80.05023	0.7
81.03438	1.8
81.07058	0.3
82.06558	0.4
84.04501	1.6
84.08151	3.5
85.02898	1.8
86.09719	2.0
87.05582	0.6
88.03988	0.8
90.33562	0.4
91.04930	0.4
91.05461	1.9
93.07040	0.6
95.01332	2.3
95.03706	0.5
95.04990	0.5
96.04498	1.7
97.02876	2.1
97.06556	0.9
98.06081	0.9
98.97588	1.6
99.04443	0.9
102.05537	1.0
103.05474	0.7
105.07030	1.0
106.06583	0.3
108.04486	1.5
108.99234	1.1
109.02836	0.6
110.06027	1.1
110.07174	2.7
110.97558	0.4
112.08724	0.3
116.98631	0.6
119.04951	3.0
120.04474	4.0
120.08118	9.2
121.02898	0.4
121.05238	0.5
121.06535	0.4
121.08500	0.3
122.06017	0.9
122.09658	0.4
123.04431	0.4
124.03999	0.4
129.10211	1.1
130.06544	1.2
131.04912	0.4
131.48798	0.3
132.95825	0.4
134.06017	1.1
136.03963	0.7
136.07573	1.8
137.02319	0.7
138.05511	4.6
139.98376	0.4
140.03450	0.8
143.00188	0.4
144.08125	0.9
146.05998	0.8
146.99686	0.4
147.04414	6.8
148.03909	7.0
148.04924	0.5
148.07578	4.3
149.02344	1.0
150.09103	0.7
154.04988	1.0
156.07716	0.8
159.04411	0.5
160.07567	0.5
162.09123	0.8
163.03931	0.5
164.07095	0.8
166.05003	1.7
166.08659	10.1
167.03459	0.5
172.07481	0.3
174.05577	0.8
175.08673	0.6
176.07062	1.8
177.00661	0.5
178.08640	0.5
188.03430	0.5
190.05017	0.7
190.08649	0.6
192.03084	0.8
192.06598	1.0
193.07355	9.1
193.09053	0.6
194.08138	35.8
202.04991	0.7
202.08293	0.5
204.06593	1.4
206.04556	0.4
207.02896	0.8
207.11311	1.6
208.02542	0.4
210.04257	0.6
210.07555	2.2
218.04536	0.5
218.08141	0.5
219.01811	0.9
220.06044	1.1
222.07628	25.5
230.08069	0.4
234.03943	1.2
234.07666	1.7
235.02486	0.9
235.10791	3.2
236.05501	0.6
237.02800	0.4
238.03894	0.8
244.05965	0.4
246.07590	0.5
248.05548	20.6
249.05995	0.4
252.05055	1.0
256.05035	0.7
260.09225	1.3
262.07095	0.7
263.10165	0.6
264.05099	0.5
264.08688	0.4
266.06598	11.6
268.63446	0.4
276.08646	1.0
278.06961	0.4
279.07620	0.5
287.05612	1.9
292.08051	2.1
296.03677	0.4
304.08163	1.1
308.07742	2.5
322.09201	6.1
332.07623	0.9
350.08655	0.9
368.09766	100.0
369.09976	1.9
393.10117	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87844	4.3
53.13643	4.1
55.05508	20.1
57.07080	8.8
67.05513	57.6
69.07066	21.7
71.05000	10.5
79.05502	46.8
81.07056	70.2
83.08630	9.6
85.06544	7.5
91.05489	59.1
93.07056	87.3
95.04969	37.8
95.08611	56.6
97.06559	13.2
97.10057	4.4
98.21564	7.7
105.07043	100.0
107.08594	58.5
109.06520	15.2
109.10157	47.3
113.32324	4.4
117.07034	17.7
119.06016	4.9
119.08591	97.5
121.06549	10.8
121.10152	60.3
123.08154	6.4
123.11761	8.7
128.06241	7.2
129.07010	15.4
131.08565	55.8
131.69533	4.8
133.10138	64.2
135.08046	18.4
135.11671	26.1
137.09618	8.1
142.07779	12.6
143.08586	35.0
144.09398	9.0
145.10133	63.8
146.07317	5.3
147.08083	12.2
147.11708	23.6
149.09630	13.2
155.08560	13.1
156.09354	16.0
157.10146	48.0
159.08153	6.8
159.11662	22.9
161.09650	32.7
161.13269	6.3
167.08643	5.0
168.09344	7.8
169.10103	22.7
170.10927	5.0
171.11713	17.8
173.09608	8.3
173.13295	14.9
175.11301	5.1
175.14799	15.2
178.13141	4.6
179.08511	8.0
181.10132	8.6
183.11696	16.6
185.13333	13.1
187.14827	14.1
189.12759	6.8
194.10912	6.9
195.11621	11.8
196.12476	7.0
197.13240	15.3
199.14825	7.9
201.16321	7.2
209.13261	21.1
211.14830	9.1
227.14326	15.2
229.15909	12.6
239.17973	9.8
349.25327	5.8
367.26337	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	367.2846
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
55.05268	1.0
55.05519	12.3
57.07086	4.2
61.61342	0.8
67.05509	13.3
69.07073	18.1
70.96155	0.9
71.04994	2.2
71.08633	12.0
79.05496	5.8
81.07063	18.5
83.04990	2.3
83.08632	8.1
85.02883	0.8
85.06557	1.5
91.05499	6.2
93.07060	9.7
95.04973	1.4
95.06829	0.8
95.08613	16.2
97.06543	2.6
97.10167	3.0
99.04400	0.8
99.08096	12.9
105.07040	6.0
107.08593	9.5
109.06537	6.2
109.10178	8.0
111.04456	1.7
111.08112	2.7
118.40176	0.7
119.08586	7.0
121.06522	2.2
121.10159	7.0
123.08083	27.6
123.11706	4.3
125.05999	2.6
125.09581	1.4
131.08592	1.9
133.10149	8.6
135.08034	4.2
135.11705	3.5
137.09689	1.6
137.13269	1.8
139.07587	1.5
139.41107	0.8
141.09218	0.9
143.08427	0.7
144.69019	0.7
144.90932	0.9
145.10156	2.4
147.11688	2.5
149.09651	1.9
149.13286	2.4
151.11246	1.4
151.14835	1.5
153.12759	4.8
159.11688	1.7
161.09584	0.9
161.13304	2.7
163.11205	1.4
163.14822	1.3
165.12730	2.0
165.16455	1.0
167.14282	1.1
173.13205	1.7
175.14847	1.2
177.12717	1.2
179.14323	29.7
181.12317	2.4
185.19093	0.8
187.14960	0.9
189.16415	2.5
191.14326	2.5
193.15892	2.1
195.13745	0.8
205.15880	0.9
223.20612	0.9
233.18965	1.3
251.20097	12.4
275.20157	1.6
289.25015	0.9
293.21170	9.9
293.28369	3.3
300.29187	0.8
303.26871	12.6
313.25357	1.2
321.27921	5.5
331.26334	42.5
349.27402	100.0
367.28516	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	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60317	1.7
53.03947	7.1
53.09703	2.5
55.05515	21.0
55.11995	2.1
57.07069	8.8
58.92639	1.8
65.03930	4.9
66.70164	1.6
67.05181	2.6
67.05511	37.2
68.75348	2.1
69.03420	8.0
69.07079	25.1
69.76007	11.6
71.04981	6.0
79.05074	2.8
79.05495	33.0
81.07059	43.5
83.04967	6.7
83.08609	7.4
85.06534	7.2
90.01679	2.1
91.05487	50.2
93.07050	82.9
93.07643	4.6
95.04967	34.3
95.08614	60.9
97.06544	12.4
97.10158	2.2
103.05489	4.4
105.07034	88.2
107.08601	58.5
109.06521	13.7
109.10159	33.9
111.08090	4.0
115.05441	8.0
116.06242	2.2
117.07016	19.5
119.06107	3.9
119.08585	100.0
121.06492	11.5
121.09333	3.4
121.10152	51.3
123.08044	6.2
123.11709	12.8
125.09622	2.9
128.06238	8.4
129.07025	16.3
130.07843	10.0
131.08578	53.0
133.10138	55.3
135.08055	14.9
135.11711	20.2
137.09622	4.6
139.11179	3.0
141.06956	6.2
142.07806	20.2
143.08580	35.5
144.09334	11.8
145.06494	3.2
145.10132	62.2
146.07260	5.6
147.08049	14.7
147.11693	21.8
149.09637	16.5
149.13304	4.8
153.07036	2.9
154.07770	3.2
155.08524	10.2
156.09361	13.9
157.10133	48.7
158.10869	7.9
159.08060	6.1
159.11713	35.2
160.12286	2.8
161.09627	41.7
161.13257	8.2
163.11237	3.9
165.07100	3.4
167.08556	5.4
168.09390	4.4
169.10132	20.3
170.10886	7.4
171.08073	2.2
171.11710	24.2
172.12459	5.7
173.09645	5.5
173.13281	26.3
175.11160	7.4
175.14835	20.6
179.08537	8.9
180.09311	2.8
181.10167	12.1
182.10808	4.7
183.11713	24.6
184.12491	4.5
185.09636	4.5
185.13318	15.0
187.11195	3.4
187.14813	15.7
189.12733	4.6
189.16307	2.4
191.14348	2.1
193.10147	4.5
194.10925	9.8
195.11707	10.1
196.12514	5.8
197.09645	2.0
197.13272	15.5
198.13872	2.7
199.14772	14.6
201.12726	5.9
201.16385	4.7
205.15799	2.6
207.11592	5.8
208.12520	2.0
209.13280	27.4
210.13913	4.7
211.14754	9.3
213.12790	6.8
213.16324	4.8
215.14255	2.1
217.10289	2.8
221.13179	3.1
222.13953	2.4
223.14813	8.4
225.12744	2.3
225.16396	3.3
227.14339	22.6
227.17909	2.9
229.16075	2.3
237.16463	4.1
239.17941	8.1
241.15892	3.7
241.19505	3.9
244.22945	2.1
249.16336	2.9
251.17989	3.0
253.19415	3.5
255.17447	5.9
257.18979	3.8
265.19638	4.1
267.17581	4.2
267.20819	2.4
269.18973	2.6
271.20370	2.5
275.17871	4.5
279.17511	2.4
281.19125	2.2
283.20703	2.5
287.17377	1.9
287.88605	2.2
293.18845	3.6
331.24112	3.7
349.24930	10.0
367.26529	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	367.2479
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
53.03896	1.4
55.01806	4.2
55.05444	17.3
55.05740	2.3
57.03368	5.6
57.07011	0.9
59.04941	0.9
61.81499	0.6
67.05428	16.4
69.03352	3.1
69.06991	20.3
69.07408	1.9
69.81647	2.1
69.82065	1.2
70.78435	0.5
71.04942	1.1
71.08554	24.7
71.08988	2.0
79.05494	13.8
81.03410	3.7
81.07058	16.2
81.07482	0.9
83.04983	4.2
83.08619	5.8
84.08092	0.7
85.06487	1.3
86.37772	0.5
91.05483	8.0
93.07045	10.8
95.04964	4.8
95.08606	7.3
97.02839	1.0
97.06448	2.1
97.10183	8.6
98.20847	1.0
99.08099	19.3
99.08688	0.8
105.07037	6.6
107.04955	3.1
107.08600	9.3
109.06455	2.2
109.10172	6.5
111.07998	1.6
111.11645	0.7
113.72078	0.6
117.06929	2.1
119.08610	3.8
121.06517	3.3
121.10136	4.4
123.07969	2.1
123.11618	1.7
125.09639	7.0
126.63528	0.6
127.29884	0.6
129.06979	1.1
131.08467	2.5
133.10158	4.2
135.07970	2.0
135.11670	2.9
137.09537	1.3
139.11127	2.1
143.08528	0.8
145.10074	2.1
147.11623	1.2
149.09554	1.7
149.13138	1.7
149.14246	0.6
151.11125	1.4
153.08968	0.7
155.08571	0.7
156.04352	0.5
157.10095	1.6
159.11649	1.6
161.09590	0.7
163.11087	1.0
165.12720	1.8
167.10637	2.9
169.10091	1.0
171.10263	0.6
173.09523	0.6
173.11739	0.9
173.13171	1.1
177.12674	2.1
179.10658	0.8
183.11661	0.6
189.11276	4.1
195.13730	1.0
197.13190	0.7
227.12689	0.9
247.20618	2.2
257.19006	1.1
265.21628	1.8
275.20081	9.3
293.21115	100.0
294.21478	1.3
349.23898	1.2
367.24817	48.9
368.25021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.0
53.45932	3.2
55.01868	4.7
55.05512	24.5
57.07064	12.2
59.04997	5.1
67.05512	47.2
69.03438	6.5
69.07059	24.4
69.35388	26.1
71.04986	10.1
79.05495	33.0
81.07059	64.9
83.04958	7.1
83.08620	12.4
85.06557	6.9
91.05482	55.6
93.07046	78.7
95.04973	36.2
95.08613	59.6
97.06550	15.7
98.45854	3.7
105.07038	96.6
107.08598	63.1
109.06503	18.4
109.10149	42.1
111.08096	4.3
115.05474	7.8
116.06252	5.3
117.07014	21.1
119.08588	100.0
121.06496	8.9
121.10148	50.3
123.08061	6.1
123.11720	18.1
128.06213	11.3
129.06999	17.9
130.07808	7.4
131.08572	60.1
133.10132	55.1
135.08063	21.1
135.11693	23.4
137.09628	8.6
141.06969	6.0
142.07748	18.2
143.08574	42.2
144.09351	9.1
145.10133	71.0
146.07253	6.5
147.08037	8.6
147.11694	23.1
149.09604	21.5
149.13307	7.7
151.11012	3.7
155.08611	11.4
156.09329	13.2
157.10141	58.9
158.10950	12.9
159.08133	4.7
159.11717	44.8
161.09641	51.9
161.13263	4.2
163.11157	6.5
167.08537	6.9
168.09387	4.4
169.10112	19.7
170.10916	6.3
171.11682	30.3
173.09656	8.3
173.13272	34.1
175.11211	8.4
175.14856	22.1
179.08539	10.1
181.10149	10.4
182.10829	6.8
183.11676	21.7
185.13193	18.5
187.14896	22.7
189.12668	5.0
193.10109	3.9
193.15761	4.2
194.10953	8.9
195.11722	14.7
197.13281	15.4
199.11214	7.8
199.14844	15.3
201.12753	8.4
201.16434	6.3
209.13240	27.0
211.14838	10.2
213.12782	7.7
213.16383	8.7
215.14185	4.5
221.13269	5.2
223.15007	5.7
225.16272	8.7
227.14397	20.4
235.21231	3.8
238.28108	4.0
239.17938	8.7
251.17917	5.4
253.19492	5.6
255.17491	6.6
257.18909	5.8
261.16385	5.0
283.20691	4.5
293.18784	4.1
304.06149	4.2
349.25168	14.8
367.26297	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89773	3.6
53.03945	9.2
55.01871	27.2
55.05514	40.4
56.62605	2.9
57.03440	25.0
57.07096	6.3
58.56655	3.4
65.03928	4.4
67.05508	94.6
69.03439	4.3
69.06781	3.1
69.07079	30.0
69.51212	15.3
69.51633	6.4
70.06592	5.6
71.04980	9.6
71.08624	9.9
74.40175	3.0
79.05499	59.5
79.96290	2.9
81.03416	16.7
81.07064	92.6
83.04983	24.8
83.08614	23.8
85.06538	10.9
91.05489	92.8
93.07050	62.9
95.04968	26.6
95.08606	51.7
97.02890	5.9
97.06530	13.1
97.10162	5.6
99.04457	4.6
99.08080	10.3
105.07030	69.2
107.04963	20.0
107.08592	53.1
109.06502	17.1
109.10149	56.3
111.04443	3.7
111.08117	6.2
113.06017	3.4
113.09703	4.0
117.07020	12.0
119.08596	25.6
121.06494	7.7
121.10139	15.1
123.08064	12.3
123.11728	17.2
125.09650	14.7
125.10494	3.7
128.06195	4.1
129.07051	4.4
131.08543	15.8
133.10144	100.0
135.08023	6.5
135.11714	12.4
137.09612	15.2
142.07901	3.9
143.08630	5.2
145.10110	11.1
147.11697	14.9
149.09584	10.0
149.13393	5.6
151.11195	65.3
157.10147	4.6
159.11684	8.9
161.09610	7.0
161.13329	3.3
163.11205	14.6
165.09132	8.6
169.12199	8.4
171.11690	3.7
173.09796	2.9
173.13228	7.0
175.11130	3.9
177.12796	8.9
179.10629	5.5
181.12178	4.6
187.28221	3.0
191.10680	3.7
195.13760	3.7
247.20525	4.7
253.14323	6.7
257.18976	5.2
275.20099	46.3
293.21161	13.1
313.17847	8.3
349.23611	12.6
367.24933	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.0
55.01884	19.8
55.05513	32.4
57.03440	17.0
57.07072	3.8
64.29788	2.6
65.03926	5.5
67.05508	61.7
69.03426	5.8
69.07077	34.1
70.06577	9.0
71.04983	7.0
71.51378	3.4
73.06574	3.0
73.51678	2.6
74.21810	2.7
79.05070	5.1
79.05493	64.4
81.03402	4.9
81.06599	5.5
81.07059	100.0
83.04965	10.3
83.08626	19.3
84.08144	8.0
85.06544	5.0
85.45123	2.8
86.09727	2.9
91.05482	54.7
93.07045	49.9
95.04971	17.6
95.08612	44.1
97.06535	35.9
97.10167	9.9
98.09701	3.3
99.08067	5.2
101.06074	3.2
105.01338	3.1
105.07035	56.8
107.04964	23.6
107.08591	44.7
109.06519	19.0
109.10174	24.6
111.08051	8.7
117.07015	15.5
119.08579	43.9
120.08092	4.2
121.06542	15.2
121.10154	23.5
123.08048	10.6
123.11700	11.5
125.05991	3.1
125.09655	5.8
128.06216	4.1
129.06990	6.3
131.04858	4.4
131.08586	28.6
133.10139	33.1
135.08067	15.5
135.11670	13.3
137.09615	7.1
139.11217	3.7
143.08601	5.5
145.10118	29.4
147.08073	3.6
147.11728	27.2
149.09639	21.4
149.13248	7.5
150.12686	3.1
151.11194	3.8
155.08572	5.9
157.10117	11.7
159.11665	16.3
161.09586	4.6
161.13229	7.9
163.07516	13.2
163.11180	14.6
165.12730	7.5
169.10207	3.5
171.11713	6.8
173.13289	10.3
175.11195	5.0
177.12762	4.6
179.14368	3.6
183.11775	3.9
185.13231	3.4
187.11137	3.6
189.11171	4.1
197.13257	6.1
215.14259	2.9
227.12877	3.8
229.19662	4.6
239.17964	6.1
247.20670	6.4
257.19141	14.4
269.17520	3.6
275.20081	93.8
293.21088	10.5
314.14859	2.9
349.19965	3.6
349.23810	42.1
367.18326	4.2
367.24725	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	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.8
55.01873	18.2
55.05265	2.5
55.05515	27.2
56.96569	11.0
57.03444	15.5
57.07062	3.1
65.03912	2.5
67.05509	58.6
68.09083	1.5
69.03436	11.7
69.06731	2.2
69.07076	28.2
69.07432	3.5
70.01782	7.4
70.06601	2.4
70.27493	1.5
71.04995	10.8
75.04510	2.3
79.05499	51.6
81.03398	6.6
81.07062	100.0
82.07390	1.7
83.04985	11.1
83.08636	15.4
84.08136	5.6
85.02896	10.0
85.06541	5.3
86.09700	4.0
90.80598	2.0
91.05486	47.4
93.06490	3.3
93.07049	45.5
95.04977	13.8
95.08613	44.1
97.06548	22.9
97.10160	7.3
99.04410	1.8
99.08092	3.9
103.05502	1.8
105.07035	41.5
107.04962	13.3
107.08600	36.7
109.06539	18.2
109.10164	23.5
110.97588	4.0
111.04422	2.1
111.08076	7.9
113.06057	2.2
117.07032	14.5
119.08589	32.8
120.08071	2.5
121.06502	13.8
121.10146	23.2
123.08105	8.9
123.11727	8.8
125.09624	6.7
128.98564	4.8
129.05524	2.6
129.07008	5.0
131.00052	1.7
131.08586	20.6
133.06485	3.1
133.10141	29.6
135.08075	6.5
135.11691	12.2
137.06070	1.6
137.09598	6.2
139.07533	2.6
139.11139	2.4
143.00075	2.5
143.08575	6.1
145.06503	2.5
145.10130	20.1
146.99651	2.5
147.08051	5.0
147.11703	24.4
149.09625	14.5
149.13240	7.9
151.11180	7.6
155.08519	4.2
157.10138	7.1
159.08054	3.9
159.11691	18.3
161.09633	4.8
161.13254	6.9
163.11176	11.9
165.12743	5.6
167.14293	2.0
169.10054	3.1
171.11714	5.0
173.13290	7.4
175.11156	4.0
175.14772	3.1
177.12708	6.1
179.10693	3.3
181.12231	2.6
182.91885	1.7
183.03256	3.3
183.11740	2.9
185.04736	2.3
185.13243	3.1
187.11182	2.1
189.00656	3.2
189.11198	2.1
189.12755	3.4
189.16466	2.2
191.10683	2.8
191.14299	2.8
193.12170	1.8
195.11838	2.4
195.13704	2.7
197.13228	2.6
199.06476	9.3
201.08046	4.1
201.12842	2.2
203.17917	1.9
209.11690	2.0
211.06424	5.0
215.02388	2.9
215.18001	2.0
217.07385	9.3
219.08923	2.4
229.07503	42.1
229.19414	3.7
236.90816	1.8
239.17934	5.0
241.07501	2.3
243.09109	2.7
247.08511	24.8
247.20583	5.9
252.08946	2.7
256.16974	5.7
257.06906	3.1
257.18939	7.4
258.07797	5.8
259.08429	3.7
263.20148	2.2
267.15948	2.4
269.17471	3.6
275.20108	58.8
276.08893	2.1
285.16992	2.6
293.21094	5.6
307.26123	1.8
313.21585	4.6
331.15836	7.8
331.22623	3.4
340.21033	2.3
349.16791	6.5
349.23816	23.5
350.23511	3.4
367.14188	4.6
367.18002	54.5
367.24731	45.8
368.24384	5.0
385.18985	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33809	3.0
53.03936	5.7
55.01874	23.1
55.05511	31.0
55.10680	3.1
57.03443	29.8
57.07074	8.1
57.90343	3.1
59.05001	7.4
61.02913	5.4
66.83553	3.0
67.05184	3.3
67.05507	41.8
69.03426	22.7
69.07072	39.0
69.22041	30.7
69.31104	3.0
70.06586	7.0
71.04603	5.2
71.04995	100.0
73.02920	8.7
73.82628	2.7
74.45502	3.3
75.04487	6.0
79.05495	43.4
79.08720	3.4
81.03410	11.1
81.07064	94.0
82.96684	3.3
83.04972	25.0
83.08614	12.8
84.08146	4.8
85.02904	75.2
85.06547	7.2
86.09695	4.6
87.04472	12.6
91.05470	46.1
91.87580	3.0
93.07047	75.0
95.04976	22.4
95.08610	70.0
97.02904	4.7
97.06532	46.6
97.10173	13.2
98.21615	3.5
99.04451	13.4
99.08080	7.7
101.06018	7.1
103.05447	3.7
105.07024	74.7
107.04952	10.4
107.08589	80.8
109.06533	27.8
109.10159	57.1
110.07185	5.4
111.04430	14.8
111.08069	12.6
113.06047	5.2
113.09634	4.7
113.46383	3.2
117.07023	19.5
119.04978	5.0
119.08587	67.9
121.06521	17.7
121.10149	62.4
123.08067	18.2
123.11713	28.3
125.05997	4.6
125.09648	22.3
127.07536	3.9
127.11178	22.8
128.06123	4.7
129.05472	12.8
129.06992	7.3
130.07849	3.3
131.08578	34.2
133.06480	7.9
133.10130	52.6
135.08057	19.9
135.11713	37.7
137.06012	4.4
137.09615	18.2
137.13232	6.8
139.07533	16.3
139.11183	7.5
141.09209	3.4
143.08583	20.9
143.10635	4.3
144.09311	4.0
145.06496	4.3
145.10130	46.5
147.06419	4.5
147.08118	18.4
147.11684	42.8
149.09615	23.4
149.13258	17.0
151.07536	5.5
151.11186	20.8
153.09126	4.9
153.12779	16.2
155.08562	9.3
156.09277	5.5
157.08881	2.9
157.10106	19.8
158.10823	4.6
159.08031	8.7
159.11693	58.3
161.09653	14.4
161.13297	27.4
163.11197	20.5
163.14836	5.9
165.09102	6.6
165.12764	12.6
169.10126	13.6
169.12238	5.4
171.11719	18.5
173.08220	4.0
173.09642	10.0
173.13264	23.2
175.11162	13.7
175.14848	9.5
177.09003	3.7
177.12741	13.3
177.16367	4.8
179.10632	13.0
181.12247	5.2
183.11674	10.6
185.13272	15.3
187.11197	12.1
187.14821	12.0
189.12753	11.2
189.16374	13.2
191.10709	13.7
191.14282	8.1
191.17888	5.4
193.12289	5.8
197.13272	10.0
199.11308	3.8
199.14828	10.2
201.11185	6.8
201.12793	11.8
201.16432	15.3
203.14365	6.8
203.17958	9.7
205.12190	4.6
205.19576	3.1
209.11647	6.1
211.14671	4.3
213.12798	3.5
213.16451	3.9
215.14395	6.2
215.17938	8.0
217.15842	5.8
219.17520	4.6
221.18988	4.8
225.16466	4.9
227.14383	8.0
227.17981	4.8
231.17407	4.8
233.15459	4.1
233.19092	6.1
239.17970	4.0
243.17401	12.8
245.19048	8.8
255.17296	5.2
257.19034	16.4
261.18442	5.4
263.16437	7.2
263.19949	7.4
269.18927	6.2
273.18494	4.2
275.20081	40.3
287.19946	9.0
289.21548	3.6
293.21054	5.5
295.20700	5.6
303.23343	3.8
311.18555	4.0
313.21643	25.1
331.22772	32.7
349.23764	45.5
367.21182	3.7
367.24820	52.4
367.28943	7.0
369.01120	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	367.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
56.05030	0.9
57.03422	0.3
58.06593	0.3
60.04521	0.6
61.01156	0.3
65.97659	0.2
67.05503	2.5
68.05011	0.2
69.03429	0.3
69.07064	0.8
69.48544	1.3
70.02946	0.2
70.06598	8.3
71.04984	0.6
71.06934	0.4
72.04530	0.3
72.08160	2.1
73.45477	0.2
74.06081	0.7
76.02231	0.3
78.97491	0.2
79.05493	0.4
81.07050	0.9
82.06561	0.4
83.04974	0.3
83.08597	0.3
84.04503	1.4
84.07638	0.4
84.08146	6.7
85.02905	0.4
85.06538	0.6
85.08464	0.4
86.06068	0.2
86.09711	5.0
87.05592	0.4
87.10024	0.4
88.03986	0.4
91.05484	1.4
91.63750	0.2
93.07056	0.7
94.06581	0.2
95.04994	0.4
95.08618	0.6
96.08168	0.5
97.06571	0.2
98.09698	30.5
98.21577	0.4
102.05521	0.5
102.98746	0.2
103.05470	0.9
104.05878	0.3
105.07037	0.4
107.04951	0.7
109.10164	0.9
110.06039	0.3
110.07174	1.2
112.08710	0.6
112.11249	0.3
115.08704	0.2
115.21886	0.2
119.04968	0.8
120.05245	0.3
120.08116	7.2
121.02900	0.3
121.06525	2.2
121.08442	1.7
122.06050	0.4
122.09663	0.3
123.08069	0.5
127.03944	0.3
129.07031	0.2
129.10252	3.1
130.05006	0.4
130.06532	0.3
130.10577	0.5
132.04434	0.2
132.08113	0.3
132.10210	0.2
133.02844	0.4
134.05942	0.3
135.04474	0.2
136.06264	0.4
136.07579	1.1
137.05991	0.4
138.09149	0.5
140.14349	10.0
143.11855	0.3
144.13812	0.3
146.03185	0.4
146.05972	0.3
147.04420	2.0
147.08061	1.0
148.08392	0.7
149.06018	0.4
158.15410	100.0
159.08057	0.3
159.15707	0.6
162.05554	0.3
163.11212	0.2
164.07071	0.4
166.08641	6.0
169.13235	0.3
169.15878	0.4
174.09172	0.7
174.96861	0.3
176.10660	0.3
187.11087	0.2
190.08650	0.2
191.09468	0.2
192.09865	0.7
204.06621	0.4
205.05084	0.3
205.06879	0.3
205.12129	0.2
209.09091	0.3
215.05357	0.3
221.12747	0.2
228.06944	0.2
229.15518	0.5
233.16528	0.5
234.16824	0.3
243.08350	0.2
243.14516	0.2
261.09491	0.9
269.70224	0.2
283.05942	1.2
287.05627	0.4
289.09000	1.1
303.13492	0.2
349.10977	3.2
349.14557	0.3
349.21198	0.5
350.12231	1.0
367.08047	1.7
367.12167	2.8
367.22321	21.4
368.13153	0.8
368.22592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05272	0.7
55.05518	6.0
56.04789	0.9
56.05037	10.5
56.15200	0.6
57.03427	1.2
57.05815	1.0
57.07083	0.6
58.06604	4.2
59.04995	0.5
60.04536	5.1
67.05511	3.9
68.05035	0.7
69.03446	0.7
69.07058	2.2
70.06599	7.9
71.05592	1.5
71.06945	0.8
72.08159	51.8
73.04041	1.4
73.08496	0.7
74.06084	26.2
79.05492	1.1
81.03410	0.5
81.07066	3.0
82.06594	1.0
83.06097	1.1
83.08616	0.6
83.41910	0.5
84.04044	0.9
84.04509	9.8
84.07635	0.7
84.08144	9.6
85.02908	1.1
85.08457	1.0
86.06047	0.6
86.09235	0.8
86.09712	15.1
87.00806	0.8
87.04430	0.7
87.10051	1.0
88.04015	1.6
91.05484	4.7
93.07025	1.6
95.04963	1.1
95.08599	1.8
96.04535	0.6
96.08137	0.9
98.09693	1.9
101.00577	0.7
101.07149	23.3
102.05521	1.9
103.05456	1.0
103.18791	0.5
105.07050	1.5
107.08597	0.7
108.08117	1.2
110.07191	2.7
110.09702	5.3
112.07614	2.1
112.08771	0.7
112.11239	2.4
113.07110	0.9
114.05523	0.9
119.04960	1.9
119.08620	0.7
120.08112	20.9
121.06519	1.3
123.11686	1.6
128.10724	18.4
129.09360	0.9
129.10251	10.5
130.05032	0.6
130.06523	0.6
131.04883	0.8
132.10181	1.3
133.10126	1.1
136.07585	20.0
138.05533	0.6
138.09160	1.2
147.08139	0.7
148.06012	1.1
150.34418	0.7
151.11217	0.9
155.11783	1.9
156.01123	0.6
156.07692	1.1
158.09676	0.6
166.08636	9.6
173.12872	100.0
174.13179	1.0
191.10654	1.0
195.14445	0.6
201.12354	43.4
207.11308	8.1
209.11925	0.7
221.12837	1.5
233.16510	1.9
235.10812	3.3
249.12505	0.8
265.15454	1.7
267.13348	2.8
268.13599	0.9
312.12711	1.0
330.26624	0.9
346.13504	0.6
348.27441	2.2
366.20227	2.0
366.28690	3.5
374.52368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05508	4.7
56.05033	10.9
56.29422	0.9
57.03418	1.0
57.05813	0.9
58.06601	2.1
60.04534	5.1
60.04779	1.0
61.01144	1.6
61.02907	0.9
67.05503	2.2
67.32332	0.9
68.05023	1.0
69.03419	3.3
69.07060	7.4
70.02949	2.1
70.06591	39.6
71.06906	2.0
71.50806	1.0
71.51219	1.1
72.04510	2.0
72.08158	36.0
73.08488	1.4
74.06084	6.2
74.20576	0.9
75.05604	5.9
77.03976	0.9
78.03797	0.9
79.05486	1.4
81.03417	2.3
82.06562	3.3
83.06101	2.8
83.06871	1.0
84.03981	1.4
84.04505	42.9
84.08145	61.4
85.02895	7.9
85.04845	1.0
85.08467	4.0
86.06062	1.3
86.09707	88.0
87.00815	1.7
87.05582	1.4
87.10025	2.3
88.03980	4.9
90.05531	1.1
91.05485	14.1
93.04507	0.9
93.07040	2.2
95.04994	1.6
95.06087	1.7
96.04473	1.1
97.02888	3.9
98.06037	1.7
98.09696	2.8
98.97614	1.3
99.04458	2.0
101.07110	3.7
101.10744	1.1
102.04861	2.0
102.05546	38.2
103.02164	1.8
103.03930	4.3
103.05453	4.1
105.07013	2.9
106.05003	1.7
107.04953	2.5
108.04446	1.7
109.02876	2.1
110.06025	5.8
110.07163	15.0
112.07569	1.1
112.08742	4.0
113.07092	1.1
114.05524	4.4
115.03934	1.9
115.05826	1.3
115.08689	1.5
116.07079	1.9
119.04957	12.0
120.04801	2.5
120.08109	100.0
121.06506	3.9
121.08448	2.3
122.09686	1.2
124.11210	1.4
127.03912	4.1
127.08668	2.5
128.07059	3.5
129.06651	1.0
129.10242	33.1
130.04990	3.6
130.06526	2.2
130.08572	1.5
130.10547	3.5
131.04907	2.0
132.10161	1.0
134.04425	1.2
136.07582	89.3
137.07925	1.0
138.09125	1.1
140.08195	1.3
140.14285	0.9
141.10201	1.1
143.11789	19.3
145.04958	2.5
147.01030	1.0
147.04370	6.2
147.11331	1.4
148.04927	1.3
148.06058	6.7
148.07132	1.1
149.06000	0.9
151.08701	0.9
152.07071	0.9
154.12248	3.5
155.08168	22.4
156.07697	3.3
157.05008	0.9
157.13335	1.8
166.08644	60.0
169.13466	1.2
171.11316	1.7
171.14915	3.0
173.09224	27.7
173.12613	0.9
182.08177	2.0
182.12975	1.1
183.07683	10.0
183.11331	1.4
185.12897	1.7
186.09190	1.7
186.12419	3.3
190.10895	2.4
191.08438	1.8
192.08789	1.5
195.11440	1.3
197.16475	2.8
199.18036	2.4
200.13974	1.3
201.08723	24.4
203.13879	4.7
205.09773	2.1
222.12363	1.2
227.17365	1.1
228.13448	1.3
230.15071	2.2
232.05237	0.9
234.13489	3.0
235.07455	2.6
236.07692	3.7
237.12398	3.4
249.12242	1.7
249.15981	38.6
276.09375	1.0
276.15738	1.1
277.11963	2.7
277.15472	14.2
285.15628	1.3
304.14175	1.2
314.18088	1.5
323.19760	2.2
348.12436	1.4
348.16064	1.3
348.19629	1.1
366.20129	4.0
366.24005	3.5
372.96976	1.0
376.40689	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92159	1.0
69.16192	1.0
69.38580	4.8
69.38996	3.3
88.68301	1.1
98.97588	6.2
116.98616	2.4
119.01918	1.7
144.20396	1.1
152.09900	1.2
177.00938	5.8
182.99892	1.4
198.97830	1.7
201.00893	1.3
216.98961	4.2
219.02072	13.4
234.99998	7.9
240.98976	11.4
243.01999	2.9
250.48703	1.1
253.00832	1.1
259.00015	32.7
260.00214	1.1
261.03088	30.3
261.05713	2.3
264.98962	3.8
271.93347	1.5
274.97626	3.8
277.01041	16.1
283.00018	84.2
284.00162	3.5
292.98453	2.3
301.01068	100.0
302.01196	5.1
319.02078	4.0
324.02661	1.7
325.00992	14.4
343.02127	65.0
344.02066	1.9
361.03174	12.3
363.51315	1.3
385.03094	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	366.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
54.35822	0.3
56.05032	1.5
56.96571	1.8
57.03427	0.4
57.53925	0.3
60.04519	0.6
69.03432	0.8
69.92325	1.6
70.06586	1.6
72.08157	0.8
73.02906	0.4
74.02432	2.0
74.06075	0.6
75.02694	0.5
77.03946	0.4
84.04509	0.7
84.08150	2.2
85.02898	0.9
86.09715	2.8
87.05601	0.4
90.05444	0.3
91.05481	2.1
93.07051	4.3
95.04968	0.7
97.02906	0.9
98.09695	0.5
98.97588	17.2
99.50269	0.3
102.05556	0.3
103.05478	2.7
107.04994	0.3
108.38829	0.3
110.07187	1.4
110.97582	0.8
116.98630	4.6
119.00282	0.3
120.01188	0.3
120.08075	0.7
121.06509	100.0
122.06850	1.0
126.15171	0.3
128.98576	0.7
129.10216	1.0
130.03316	0.4
134.99675	0.8
136.06200	0.3
138.09146	35.7
140.00212	0.4
145.45528	0.4
147.04424	0.7
149.02739	0.5
156.07738	0.4
158.99663	8.7
166.05348	3.4
173.12862	1.6
177.00697	5.4
219.01743	4.8
231.34007	0.3
233.13255	0.7
236.10765	0.5
237.02896	0.9
238.98468	0.4
245.01707	0.3
253.03625	0.6
287.05569	0.5
303.07568	2.5
321.08585	2.3
361.02097	0.4
366.07053	5.4
366.17014	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2688
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05507	3.3
57.07072	10.2
62.81055	1.4
64.49030	1.1
67.05505	4.4
69.07067	4.9
69.74915	4.1
69.75327	2.6
70.11694	1.1
71.07013	1.2
71.08629	2.0
75.28095	1.1
79.05483	4.2
79.42367	1.2
81.07049	6.0
82.19672	1.1
85.06541	5.1
91.05491	1.5
93.07047	5.4
95.08601	4.7
97.06508	1.7
99.08072	1.6
105.07019	3.1
107.08592	4.5
109.06525	9.3
109.10150	3.6
111.04437	2.6
111.08059	1.4
119.08588	2.5
121.10117	2.2
123.08056	5.9
123.11722	1.3
125.06025	2.1
133.10223	1.3
135.08051	2.4
135.11705	2.9
137.05984	3.0
151.07576	7.7
152.08356	3.9
160.02209	1.4
161.09576	1.4
165.09164	10.9
165.12767	1.8
179.10695	2.5
193.12283	2.1
208.14523	2.0
221.15363	1.8
237.88605	1.3
240.45207	1.4
263.20084	51.1
264.20135	1.1
291.06039	1.2
305.24628	10.5
319.26440	5.6
347.21542	1.7
347.25824	46.6
365.26877	100.0
366.27252	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	365.2686
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
53.01424	1.2
53.03956	1.2
53.31295	1.3
55.01880	4.1
55.05511	17.0
57.03439	5.2
57.07081	11.4
57.12796	1.1
58.41779	1.1
59.05014	2.0
65.03943	1.4
67.05510	23.9
67.05843	2.1
69.03431	1.8
69.07070	75.3
69.64436	6.6
71.04994	6.4
71.08626	1.6
73.06581	2.8
79.05488	17.6
81.07058	26.5
83.05007	5.8
83.08618	16.5
85.06550	9.2
87.98035	1.3
91.05488	9.6
91.43647	1.1
91.97745	1.2
93.07046	29.9
95.04974	7.8
95.08607	26.1
97.06529	25.0
97.10180	1.8
99.08157	1.5
101.06033	3.1
105.07039	9.4
107.08604	32.2
107.09309	2.0
109.06528	13.2
109.10162	11.7
111.08092	9.1
111.11707	6.1
115.07626	2.3
117.07027	3.3
119.08598	11.7
121.06512	2.0
121.10153	10.3
123.08070	7.4
123.11748	1.8
129.07011	2.5
130.07791	1.1
131.08609	3.5
133.10126	5.7
135.08066	26.4
135.09010	1.7
135.11691	47.4
135.12741	2.4
137.09659	2.4
137.13281	3.2
142.07739	2.3
143.08577	7.0
145.10110	9.6
147.11717	3.3
149.09656	2.2
151.07518	5.5
153.12744	26.1
153.13966	1.7
155.08556	1.7
156.09439	2.0
157.10094	8.6
159.11711	3.3
161.09689	2.6
163.11197	5.4
165.12759	23.0
167.14362	5.1
169.10202	1.8
170.10912	2.2
171.11711	3.9
173.13248	2.4
175.11224	1.8
177.12753	18.0
179.14340	3.6
181.10173	2.3
181.12299	3.7
182.11041	1.3
183.11758	2.7
185.13290	6.9
187.11237	2.1
187.14891	1.6
189.12799	1.9
192.09314	1.2
193.10306	2.5
193.12286	4.8
195.11748	5.2
196.12386	1.3
197.13213	2.8
198.13802	1.2
199.13272	1.3
201.14900	1.9
205.15984	1.6
205.30943	1.3
207.11714	2.9
208.12619	1.1
209.13322	5.0
211.14832	1.2
213.12759	2.5
217.14330	28.3
220.12584	2.1
221.13281	2.2
222.14014	1.8
223.14940	1.4
233.13281	1.2
234.14134	1.2
235.14859	2.0
237.16446	1.7
243.08011	1.1
249.16315	1.6
251.17921	2.0
258.14166	1.3
263.20181	5.0
267.80151	1.2
279.29364	1.2
291.19742	1.9
305.24704	1.5
319.26266	2.5
329.24957	2.3
337.27414	3.1
347.25903	100.0
348.26242	1.2
365.25192	14.3
365.26727	16.9
365.32336	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	365.2687
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.03948	0.6
55.01891	0.4
55.05511	1.7
57.06792	0.6
57.07078	11.9
57.69173	0.3
59.04995	0.4
67.05500	2.4
69.03426	0.4
69.07076	2.0
79.05502	1.6
79.32451	0.3
81.07059	3.0
83.05001	0.6
83.08643	0.5
85.06545	7.9
91.05471	2.4
93.07056	3.1
95.04971	2.5
95.08612	3.0
97.06538	0.9
97.31820	0.4
99.11975	0.3
103.05459	0.4
105.07026	3.0
105.47163	0.4
107.08601	3.6
109.06524	3.7
109.10176	1.5
111.04459	0.4
111.08054	0.5
117.07008	0.7
119.08577	3.6
121.06531	0.7
121.10168	1.2
123.08067	4.4
124.08871	1.4
125.06028	0.5
125.09654	0.4
128.06239	0.5
129.07033	0.8
131.08606	0.9
133.10106	1.8
135.08047	3.2
135.08827	0.3
135.11736	1.1
137.06012	1.0
137.09676	0.5
141.07045	0.4
142.07767	0.6
143.08591	1.9
145.10132	2.1
147.11710	0.5
149.09656	0.8
151.07538	3.8
151.11255	0.4
152.08327	5.6
155.08537	0.5
156.09355	0.8
157.10133	3.0
158.10857	0.4
159.11702	1.9
161.09645	0.8
161.13219	0.5
163.11119	0.5
165.09116	8.7
165.12770	0.4
166.09871	0.5
167.08575	0.4
168.09340	0.3
169.10182	0.9
171.11774	1.3
172.12531	0.4
173.13301	0.6
175.11230	0.7
177.12805	0.6
179.08606	0.6
179.10687	1.7
181.10234	0.8
181.12361	0.4
183.10248	0.3
183.11749	1.2
185.13289	3.1
187.11273	0.5
187.14885	1.1
193.10300	0.6
193.12292	0.4
194.11432	0.6
194.12971	2.8
195.11761	1.0
195.13788	0.7
196.12402	0.5
197.13347	1.2
205.15994	0.9
206.11028	0.5
207.11705	1.1
207.13881	1.7
208.12546	0.6
209.13293	1.4
211.14935	0.8
213.12825	0.8
219.11687	0.5
220.12405	0.4
221.13298	1.1
221.15291	0.5
223.14944	0.8
233.13258	0.6
235.14923	0.8
235.17021	0.9
237.16403	0.7
247.14897	0.4
249.18564	0.8
251.17970	0.5
259.14856	0.4
263.20096	8.1
265.16037	0.5
265.19565	0.5
265.82889	0.4
267.17441	0.8
273.18881	0.4
277.21771	0.6
287.18262	0.4
319.26443	1.0
337.27579	1.1
347.25931	22.5
348.26382	0.5
365.26971	100.0
366.27258	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	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.3
55.01855	10.9
55.05522	22.0
55.74622	4.8
57.03423	6.3
57.07059	11.0
58.60511	4.4
59.05022	4.4
67.05508	42.3
69.03424	8.0
69.07061	21.5
71.05012	4.9
71.52324	5.6
79.05499	37.6
81.07059	47.3
83.04958	7.4
83.08601	10.8
85.06522	6.3
89.12642	4.4
91.05470	44.1
93.07056	64.3
94.07337	6.0
95.04974	33.9
95.08610	36.7
97.06535	10.7
105.07030	66.7
107.08606	39.3
109.06510	21.0
109.10159	27.6
117.07012	18.3
119.08572	50.5
121.06504	6.0
121.10133	37.6
123.08054	12.6
123.11703	10.5
123.85484	4.5
125.09585	16.9
125.70007	4.5
128.06223	7.6
129.07013	12.8
131.08585	38.1
133.10127	30.9
135.08057	12.2
135.11697	13.8
141.07004	5.9
141.93587	4.3
142.07817	12.5
143.08588	39.6
144.09322	6.4
145.10138	46.8
147.08110	11.6
147.11673	17.7
148.95322	5.0
149.09631	10.3
155.08508	10.8
156.09363	12.7
157.10159	42.4
158.10968	5.5
159.11736	26.6
161.09583	14.4
165.06960	8.5
167.08556	8.6
168.09225	8.0
169.10114	23.8
170.10947	4.8
171.11690	19.3
173.09633	6.9
173.13272	38.7
175.11177	9.8
175.14996	4.4
179.08524	9.7
180.09335	6.3
181.10118	21.4
182.10785	5.0
183.08173	4.7
183.11716	33.9
185.13240	16.0
187.11273	6.1
189.12578	6.1
191.14333	21.6
193.10106	17.0
194.10988	8.7
195.11719	17.5
197.13261	19.8
198.13991	6.1
199.11168	6.7
199.14850	9.9
201.12692	9.7
206.10951	7.5
207.11719	21.6
208.12498	5.7
209.13284	18.0
211.11282	4.6
211.14828	13.5
212.91328	5.0
213.12773	5.6
215.14267	5.6
216.15089	6.3
219.11751	5.8
221.13214	10.4
223.14789	14.5
225.12737	11.5
227.14285	9.6
229.15953	5.1
231.11620	8.7
232.12308	5.6
233.13179	10.4
235.14708	10.2
237.12619	6.8
237.16396	5.2
247.14857	6.8
249.16391	12.7
251.17934	5.4
253.15875	5.4
263.17941	11.8
265.15887	8.2
265.19281	5.5
267.17487	7.0
275.17947	7.2
277.15958	7.3
277.19348	5.7
281.18948	7.3
291.17282	9.1
299.17987	7.9
306.24979	12.7
309.18399	9.7
329.25049	11.1
337.25198	7.0
347.25702	28.0
365.24753	100.0
365.32288	37.4
380.44098	4.4
380.89148	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	365.2324
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03948	4.2
55.01874	6.8
55.05518	13.7
57.03430	9.3
57.07074	7.7
59.04999	4.7
61.02920	9.3
67.05511	20.5
69.03432	25.3
69.07066	16.3
69.86749	10.5
70.06586	9.7
71.04996	24.6
72.08191	2.8
73.02907	8.7
79.05503	20.8
81.03426	18.9
81.07064	39.9
83.04971	9.9
83.08630	9.6
84.08130	8.2
85.02915	33.5
85.06552	5.2
86.09719	3.9
91.05482	31.7
93.07052	41.5
95.04975	11.1
95.08618	41.9
97.02892	9.9
97.06541	8.4
97.10214	5.3
99.04466	7.0
101.12909	2.6
103.03951	7.1
105.07039	60.0
107.04968	8.6
107.08604	43.4
107.33211	2.5
109.02916	3.8
109.06523	10.4
109.10162	25.9
111.04435	3.8
115.03937	4.4
115.05510	3.7
116.98654	2.8
117.07030	10.9
117.40879	2.1
119.04944	8.8
119.08591	59.1
119.09476	3.2
121.06544	12.8
121.10165	25.6
123.04423	5.7
123.08072	4.7
123.11718	11.8
125.05982	2.6
125.09658	13.8
127.03938	5.3
127.11198	10.4
128.06253	8.0
129.06969	13.0
130.07803	5.2
131.08585	34.0
133.06511	6.1
133.10139	42.1
135.08044	11.2
135.11725	15.0
137.06039	2.8
137.09627	14.4
141.07002	4.3
142.07806	9.0
143.08557	22.5
143.10696	8.7
144.09329	2.8
145.06499	6.6
145.10123	48.8
147.08075	15.0
147.11697	30.1
149.09610	10.6
149.13278	9.7
151.11142	2.6
153.06924	2.8
155.08559	14.1
156.09375	5.6
157.10141	29.9
158.10956	3.8
159.08084	10.2
159.11702	51.6
161.09628	15.6
161.13266	13.7
163.11227	9.2
167.08600	6.4
169.10165	10.1
171.06717	3.0
171.08025	14.1
171.11703	21.8
172.12523	2.9
173.09637	10.1
173.13275	25.3
175.11234	7.0
175.14847	8.3
177.12752	4.1
181.10260	2.9
183.11731	10.2
185.09674	5.9
185.13335	19.1
187.11218	6.8
187.14818	20.0
189.09100	7.7
189.12778	4.8
189.16383	28.4
191.10698	7.0
193.12376	3.1
195.11734	10.0
197.13293	10.5
199.14848	9.2
201.12798	4.4
201.16373	28.7
203.14294	3.0
203.17952	7.8
207.10135	14.5
207.11671	4.4
209.11655	5.1
209.13380	4.6
213.12785	6.5
213.16386	11.0
215.14317	4.1
215.17989	14.9
223.14845	6.1
225.12764	9.7
225.16475	5.5
227.14291	5.9
227.18004	7.8
229.16098	4.1
229.19604	2.6
231.13933	2.9
231.17386	15.6
233.19194	3.9
239.17978	6.9
241.15915	4.2
241.19617	2.7
243.13686	4.4
243.17453	6.9
245.19049	11.0
251.17889	3.1
257.19012	7.7
259.17010	3.7
261.14865	6.3
269.19128	5.1
273.14755	3.7
273.18744	3.3
279.16043	4.1
286.15131	6.8
287.20169	6.9
293.19055	6.7
299.20020	5.2
303.17877	4.1
311.20123	16.5
317.21167	4.1
329.21091	30.7
347.22202	38.2
365.19910	4.0
365.23282	100.0
366.23288	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01868	7.1
55.05277	2.2
55.05513	26.3
57.03438	12.9
58.56195	1.5
59.92779	1.4
62.22975	1.2
65.03942	1.3
67.05508	36.5
67.90582	1.3
69.03433	14.4
69.07070	31.7
70.06580	2.3
71.04980	4.1
71.25317	2.5
72.08127	1.4
79.05492	29.7
81.03395	5.6
81.06605	2.2
81.07057	32.2
83.04988	7.4
83.08624	8.3
84.08149	1.6
85.06552	1.7
86.09702	1.8
91.05482	23.6
93.06506	1.8
93.07048	29.0
95.04958	13.0
95.08611	19.6
97.02886	12.7
97.06499	6.0
97.10182	13.9
105.06400	1.8
105.07033	21.1
107.04937	8.6
107.08591	21.2
109.02895	1.4
109.06507	4.8
109.10157	13.7
111.08086	3.5
113.82158	1.5
117.07052	7.3
119.08577	19.6
121.06494	6.0
121.10152	10.1
123.08047	5.1
123.11747	1.6
125.09608	11.5
128.06131	1.8
129.06990	3.2
131.08568	11.2
133.06462	3.3
133.10121	14.8
133.36380	1.4
135.08093	8.9
135.11697	6.1
137.09602	5.2
143.08566	6.6
145.06468	2.2
145.10133	9.8
147.08051	6.9
147.11636	4.1
149.09566	5.0
149.13226	1.6
151.11169	4.5
153.09105	2.3
157.10115	5.6
159.11685	4.2
161.09592	5.3
161.13226	2.0
163.11125	3.4
165.09087	2.0
169.10085	1.7
171.11725	3.6
173.09567	1.8
173.13226	3.0
175.11201	3.7
177.12732	1.5
179.10614	2.0
183.11719	1.7
185.09523	1.4
185.13211	2.3
189.11176	6.7
189.12685	2.3
197.13309	1.4
199.11012	1.3
199.14714	1.7
205.12238	2.6
223.13290	28.6
223.15417	1.9
227.12793	2.9
245.18938	2.1
253.14252	3.0
255.17474	2.3
263.20178	2.8
273.18466	20.3
291.19562	100.0
311.00272	1.4
347.25998	1.7
365.23196	78.4
366.23355	1.9
373.81592	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93488	1.1
53.03942	2.3
55.01231	1.2
55.01867	8.2
55.05514	30.7
57.03440	12.8
57.07054	1.6
59.13564	1.2
65.03921	2.0
66.54223	1.1
67.05507	38.8
69.03434	16.0
69.07073	40.1
69.97750	2.9
69.98141	2.7
70.06582	1.7
71.04989	1.9
79.05492	30.7
81.03411	7.4
81.07059	26.9
83.04966	5.1
83.08633	11.2
84.08131	2.6
88.34752	1.2
91.05486	16.6
93.07044	21.6
95.04971	8.2
95.08614	16.4
97.02898	17.8
97.06525	5.0
97.10173	20.0
98.12897	1.2
98.20800	1.3
105.05767	1.3
105.07042	11.3
107.04961	6.2
107.08613	16.7
109.02880	1.2
109.06512	4.1
109.10168	9.7
111.08093	3.7
117.07043	7.4
119.08576	12.6
121.06506	4.3
121.10133	6.5
123.08069	4.2
125.09624	14.8
129.07001	3.2
131.08551	9.5
133.06450	2.2
133.10164	6.6
135.08046	6.3
135.11676	2.6
137.06017	1.5
137.09598	3.9
143.08534	3.7
145.05070	1.2
145.10104	5.3
147.08040	6.3
147.11676	3.2
149.09644	2.6
149.13216	2.5
153.09085	1.7
157.10135	3.5
159.11690	4.9
161.09586	3.3
161.13208	2.2
163.11177	1.9
165.09099	1.9
167.10699	1.2
169.10101	1.6
171.11737	1.6
173.11787	2.1
173.13268	1.3
175.11156	2.9
177.12752	3.0
185.13301	2.0
189.11261	7.4
189.12727	1.7
195.13852	2.3
205.12276	1.8
209.13414	1.5
223.13293	34.9
227.12653	2.2
245.19037	3.1
263.20120	3.4
267.06653	1.6
271.06345	2.9
273.18527	12.4
289.07739	1.4
291.19562	100.0
292.19772	2.2
294.63998	1.2
328.21210	1.5
335.81882	1.3
347.12967	4.5
347.22351	1.9
365.23251	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36594	2.9
53.03941	9.1
55.01875	16.0
55.05513	28.7
56.96556	4.6
57.03447	25.1
57.07059	3.9
59.05001	2.8
63.60866	2.6
65.03938	4.7
67.05505	94.4
69.03426	10.1
69.06770	3.6
69.07072	30.7
69.21684	13.3
69.22113	14.6
70.06579	10.5
71.04981	9.2
79.05494	68.8
81.03412	17.6
81.07057	100.0
83.04986	23.7
83.08631	14.9
84.08149	5.2
85.02922	3.8
85.06537	8.2
91.05482	90.4
93.07046	67.1
95.04976	22.1
95.08616	39.0
96.62517	3.2
97.02911	5.0
97.06534	10.8
97.10189	4.1
105.07036	74.2
107.04954	14.2
107.08591	57.9
109.06524	18.4
109.10157	49.3
111.04420	3.8
111.08078	11.7
113.05962	3.7
115.05466	3.2
117.07023	19.7
119.08588	20.9
121.06496	18.6
121.10160	25.0
123.08060	7.5
123.11694	12.6
128.06247	4.6
129.07010	8.0
131.08553	23.0
133.06488	18.3
133.10130	86.8
133.58551	3.0
135.08040	18.3
135.11713	10.5
137.09644	5.3
139.07552	8.7
141.06989	3.6
143.08560	13.0
143.82120	2.8
145.10129	17.0
147.08063	9.6
147.11696	8.1
149.09647	18.2
149.13188	3.8
151.11189	49.9
157.10133	8.3
159.08096	8.9
159.11697	8.7
161.09567	20.8
161.13206	7.1
163.11191	7.1
165.09129	5.1
165.12859	3.6
169.10194	4.6
169.12222	8.1
169.30380	2.8
171.11662	8.2
175.11205	6.1
175.14772	4.0
177.09160	9.3
177.12769	4.2
179.10666	3.4
183.10164	3.4
183.11714	5.4
185.13341	4.5
189.12750	4.5
197.13229	3.4
203.14453	3.7
215.12782	7.1
227.17912	4.8
233.29709	3.4
243.69292	3.6
245.19044	9.8
251.12840	4.5
253.14386	65.2
255.17535	4.5
263.20059	10.7
269.10681	5.2
269.13806	6.0
273.18494	45.0
285.10178	5.4
291.19534	36.2
340.15399	5.7
347.22290	8.3
365.23160	79.0
365.33386	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	365.2317
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03939	1.1
55.01877	5.2
55.05512	21.3
56.96552	1.6
57.03443	7.2
57.07056	1.0
59.04975	0.8
61.02900	0.9
63.46995	0.6
65.03935	0.9
66.71815	0.7
67.05507	22.5
69.03079	1.0
69.03429	9.5
69.04531	1.1
69.07070	30.7
69.22321	2.6
69.22755	3.4
70.06583	1.7
71.04990	2.1
72.08128	0.9
79.05495	19.5
81.03429	4.7
81.06593	1.3
81.07058	21.0
83.04983	5.0
83.08627	7.9
84.08105	1.1
85.02917	1.2
85.06548	1.1
91.05480	12.2
93.07049	14.2
95.01347	0.9
95.04977	7.1
95.08606	10.6
97.02885	13.0
97.06526	2.5
97.10165	12.2
98.97564	1.8
103.05460	0.9
105.04471	0.8
105.07050	10.1
107.04954	5.8
107.08594	13.5
109.02896	1.1
109.06514	2.5
109.10161	10.1
111.04455	1.3
111.08092	2.0
115.05434	1.3
117.07028	5.2
119.06116	0.8
119.08588	8.7
121.06538	4.0
121.10158	4.3
123.08083	4.1
123.11724	1.2
125.09647	10.0
128.06229	0.9
129.06975	1.9
130.07761	1.2
131.00192	1.3
131.08571	6.7
133.06471	2.4
133.10118	5.7
135.08038	4.3
135.11688	1.8
137.09631	3.2
142.07732	0.7
143.08577	2.5
145.06532	1.6
145.10123	4.5
147.08066	4.3
147.11688	2.4
149.09625	2.3
149.13245	1.8
151.11191	1.2
153.09084	0.9
153.12578	0.7
157.10127	1.9
159.08049	0.9
159.11693	2.9
161.09593	2.6
163.11171	2.0
165.09114	1.8
169.10088	1.0
170.05655	0.6
171.10307	0.9
171.11734	2.2
173.09674	0.9
173.13138	0.7
175.11119	1.7
177.12762	1.9
185.09601	0.7
185.13205	0.9
189.11221	5.7
193.12241	1.5
195.11700	1.0
195.13690	0.9
205.12230	1.1
209.01151	0.8
211.02571	1.2
223.13277	21.4
227.12689	1.1
245.18973	1.2
255.17575	1.0
263.20056	1.8
273.18457	11.3
284.12830	2.0
285.10117	2.2
291.19547	71.0
292.19696	1.1
347.18179	1.6
347.22104	1.6
365.23080	100.0
365.26587	4.5
366.23370	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2305
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03951	1.4
54.04977	1.2
55.05499	4.6
57.03429	2.7
57.07054	1.6
67.05517	6.7
69.03420	1.6
69.07081	6.6
70.06579	2.8
71.51678	1.9
72.08151	1.7
79.05492	6.3
81.03414	1.5
81.07069	9.3
83.04979	1.5
83.08596	2.1
88.95181	1.3
89.93981	1.5
91.05475	7.7
93.07024	4.4
95.04959	3.8
95.08600	5.9
97.02889	1.8
97.06549	1.8
105.07061	7.8
107.04942	1.7
107.07945	1.6
107.08608	5.3
109.06530	2.2
109.10150	3.2
111.08135	1.3
117.06988	2.5
119.08573	4.6
121.06525	1.5
121.10130	4.3
123.11752	1.8
125.09608	1.6
131.08583	3.3
133.10149	2.8
135.11751	1.4
135.75949	1.3
145.10144	2.7
147.11707	2.1
157.10014	1.8
175.11172	1.6
196.91209	1.4
197.09671	1.5
217.80736	1.4
223.13301	1.9
273.18439	2.2
277.95724	1.6
291.19608	10.8
295.24652	1.3
347.12750	2.3
365.23007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01891	8.1
55.05277	1.7
55.05516	28.9
56.96557	2.2
57.03442	12.6
57.07065	3.4
61.02924	3.1
67.05196	1.9
67.05511	34.4
69.03129	1.4
69.03433	13.4
69.07072	38.1
69.61482	1.5
70.06577	3.8
70.23030	1.8
70.23377	5.9
71.04992	2.6
73.02901	1.9
79.05025	1.7
79.05500	35.8
81.03412	6.7
81.07066	37.2
83.04990	8.4
83.08622	11.9
84.08149	3.0
85.02899	2.4
91.05486	21.7
93.07057	26.5
95.04979	15.9
95.08610	17.5
97.02894	16.4
97.06517	5.8
97.10172	16.8
97.97711	1.8
105.07051	14.2
107.04979	9.2
107.08613	23.7
109.02905	1.9
109.06522	6.3
109.10174	11.1
111.08089	3.0
117.07014	6.9
119.08582	16.3
121.06499	7.2
121.10178	8.5
123.08148	7.8
123.08862	1.9
123.11699	2.3
125.09625	17.3
128.06236	1.7
129.07053	4.4
131.08572	11.6
133.06500	2.3
133.10165	8.3
135.08080	10.1
135.11703	3.8
137.05957	2.3
137.09592	5.0
143.08551	6.2
145.10097	7.1
147.08063	8.9
147.11682	4.2
149.09607	3.0
149.13252	2.7
151.07526	4.6
153.09068	2.2
153.54509	1.5
155.08575	2.2
157.10136	3.3
159.11696	2.4
161.09607	4.9
163.11212	2.2
165.09119	2.1
171.10249	1.6
171.11757	2.4
173.11716	1.9
175.11192	3.1
177.12798	3.8
181.09988	1.9
185.13226	1.8
189.11224	6.2
195.13779	2.7
205.12207	2.7
223.13303	28.0
227.12769	2.0
231.08965	1.8
245.19069	3.3
259.27237	1.8
263.19977	3.0
269.10449	3.2
269.17627	2.4
273.18503	20.2
291.19556	100.0
347.22195	2.3
365.23187	86.0
365.33423	5.9
368.90469	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	365.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.6
53.58251	0.5
55.01862	1.7
56.05032	1.6
57.03450	0.6
57.05345	0.5
58.06581	0.7
60.04519	2.2
61.02925	0.5
67.05508	1.0
67.47050	0.6
67.47378	0.5
68.05027	1.6
69.03429	5.9
70.02975	0.5
70.06598	7.9
71.04988	3.9
71.06114	2.9
71.53349	0.5
72.04530	0.7
72.08150	1.5
73.02919	8.3
74.06070	0.5
79.05499	1.1
81.03429	3.6
81.07051	0.5
82.06569	0.6
83.04996	0.6
83.06107	1.0
84.04504	4.6
84.08146	7.9
85.02906	7.6
85.08470	0.5
86.09711	2.3
87.04474	1.0
87.05593	0.8
89.07143	1.0
91.03970	2.8
91.05475	5.8
93.07051	7.5
95.04951	1.0
96.04488	3.5
97.02889	9.2
98.06061	1.8
98.97591	0.9
99.04453	2.3
101.07153	0.8
103.03958	0.6
103.05461	4.2
106.05035	1.0
107.05038	0.6
109.02879	3.2
110.07188	3.0
110.09655	0.6
112.07645	1.6
112.08719	1.0
114.05535	79.0
116.98681	0.5
119.04964	1.3
120.08110	7.1
121.06508	59.4
127.03889	5.2
129.10258	4.1
130.04994	4.5
131.05298	0.6
134.06017	1.0
136.07591	1.5
138.09097	1.1
140.07037	0.6
145.04964	4.1
147.04422	2.0
147.07645	4.8
156.06563	1.0
156.07715	1.0
158.08157	1.5
167.07014	0.6
174.09285	0.7
180.06564	2.2
181.04973	2.5
191.11783	3.1
198.07658	0.7
211.06277	0.6
217.07101	3.1
219.04776	1.3
223.76401	0.6
227.10219	1.1
228.08626	1.0
235.07602	1.2
245.11320	8.1
249.00679	0.7
294.14545	0.7
312.10910	0.6
315.95422	0.6
330.11810	1.5
347.16760	0.8
348.12903	4.4
364.26105	0.6
365.17105	100.0
366.17416	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01872	5.3
55.05512	3.8
56.05029	3.3
56.96565	2.2
57.03432	2.0
57.07075	1.5
58.06599	1.6
60.04523	5.0
61.01153	26.4
61.02919	2.4
67.05503	2.4
68.05029	2.5
69.03431	15.7
69.07070	2.9
70.02938	1.7
70.06592	24.3
71.04998	2.5
71.26995	2.6
72.04522	21.3
72.08160	17.4
73.02914	4.1
74.06090	1.7
78.03793	15.9
81.03422	11.8
83.99891	1.2
84.04511	9.7
84.08143	29.1
85.02905	29.9
85.06528	3.4
85.08473	1.4
86.06062	9.0
86.09711	12.3
87.00831	27.3
88.02209	4.7
88.03975	1.6
91.03927	1.2
91.05474	3.4
93.07022	1.4
97.02889	27.2
98.02457	2.0
98.06068	1.8
98.09703	2.6
98.97535	1.9
99.04451	8.9
99.05541	6.0
102.03760	13.4
102.05547	1.6
103.02167	28.2
103.05462	1.3
104.01717	1.5
104.03461	1.9
105.00091	1.9
105.01861	11.5
106.05067	1.7
108.04446	1.4
108.08070	1.1
109.02901	6.6
110.07178	8.3
110.95827	1.1
110.97522	1.2
112.07573	2.0
113.06008	5.0
114.01914	1.1
114.03777	7.9
114.05534	54.3
115.08685	3.1
116.07083	1.6
116.98504	1.3
119.04967	3.8
120.04795	38.1
120.08097	21.0
121.06482	2.6
124.07581	3.2
125.07133	1.4
127.02982	2.4
127.03914	35.4
127.08656	1.2
129.00072	4.1
129.10243	12.9
130.05032	2.8
130.06531	1.2
130.08624	1.8
131.06339	6.6
132.04799	12.1
136.07573	5.2
140.03391	2.7
142.08632	7.2
145.04968	26.6
145.06033	2.4
146.02675	14.1
147.01109	15.6
147.04413	9.5
149.07439	28.4
159.02904	4.4
159.05916	9.9
164.03764	9.6
166.08569	1.4
174.05861	6.0
175.05331	4.0
184.09727	3.7
191.08484	44.1
191.11774	2.5
195.97026	1.3
201.06946	2.7
206.91830	1.1
211.65822	1.4
213.04089	1.6
217.06425	6.7
218.04871	2.8
219.04816	6.5
219.11417	2.2
219.14926	1.3
231.04974	15.4
235.07465	100.0
242.22455	1.3
245.06102	1.2
249.06015	6.1
261.12668	1.9
274.25479	1.3
303.13730	23.7
347.12689	27.7
347.19574	1.4
365.08847	26.0
365.13440	2.4
365.17331	3.0
365.21396	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.321
Annotation	Terminaline
Peak:m/z	Relative Intensity
51.16770	0.5
53.03954	2.5
55.01875	0.9
55.05515	18.3
57.03436	1.2
57.07067	1.4
59.05004	0.6
60.08176	2.6
65.03931	1.8
67.05506	41.3
69.07070	17.5
70.63770	1.0
71.04990	1.1
73.02902	1.5
73.06538	0.4
79.05496	26.7
80.47608	0.4
81.07058	33.6
83.04968	1.0
83.08622	5.9
85.02901	0.6
85.06559	1.0
86.09698	0.7
91.04913	0.5
91.05484	12.6
93.07046	30.4
95.04957	1.9
95.08609	22.2
97.06557	1.1
97.10157	1.9
99.04479	2.2
105.04520	0.5
105.07028	6.8
107.08597	14.4
109.06526	1.3
109.10162	8.4
113.05997	0.5
117.07027	1.2
119.08596	4.2
121.06517	0.5
121.10143	9.9
123.08070	0.9
123.11727	1.7
131.08595	2.2
133.10141	2.7
135.11682	4.2
137.09624	0.5
145.10106	1.6
147.11668	2.1
149.13264	3.2
157.10158	0.6
159.11647	0.6
161.13283	0.7
163.14803	1.0
173.13292	0.9
175.14836	0.5
177.12663	0.6
177.16406	0.5
305.24753	54.2
306.25162	0.7
347.25818	0.6
364.32104	100.0
365.24411	0.5
365.32404	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01854	1.2
55.05504	4.7
56.05034	7.9
57.03437	1.4
57.05803	1.6
57.07090	1.4
57.77301	0.9
58.06601	1.6
60.04525	3.9
60.05636	2.8
67.05493	4.5
68.05022	4.4
69.03423	2.8
69.07069	7.3
70.02954	2.3
70.06598	38.2
71.04996	1.4
71.06912	3.5
71.52106	1.4
72.08160	34.4
74.06075	4.3
79.05489	1.5
80.01384	1.2
80.05012	2.6
81.03407	1.4
81.07047	2.3
82.06557	1.1
83.06104	2.1
84.04511	46.6
84.07632	1.8
84.08150	35.9
85.02898	4.0
85.04852	1.7
85.06544	1.2
85.08471	2.3
86.06079	5.3
86.09712	60.9
87.04469	1.9
87.05590	1.7
87.10038	2.9
91.05476	8.3
93.07041	5.3
94.06570	3.4
95.01305	1.5
95.04961	2.3
95.06072	1.6
96.04496	2.6
96.08126	3.0
97.02884	1.7
97.05299	1.2
97.06516	1.2
98.06063	2.5
98.09705	3.4
101.07156	9.6
102.05547	4.3
103.05474	3.4
105.07044	2.7
107.04978	1.6
107.08617	1.9
108.04480	28.6
108.05167	2.1
108.08154	1.3
110.02464	1.4
110.06088	5.4
110.07184	7.5
112.07612	1.1
112.08710	2.0
113.07133	2.0
114.05500	2.2
115.08670	1.2
116.07091	4.2
118.08649	6.0
118.72366	1.0
119.04928	6.6
120.04457	3.5
120.08124	12.8
121.06509	13.0
121.08437	1.1
122.02397	71.8
122.06030	4.6
122.09679	1.4
124.03951	6.0
124.07587	3.7
125.09635	2.2
127.03957	1.5
129.06592	2.1
129.10262	12.6
130.04980	5.0
130.06557	1.4
134.05983	1.5
136.06427	1.6
136.07568	14.0
138.05490	4.0
138.09122	2.3
139.02094	1.4
140.03435	2.4
140.07097	6.1
140.08075	1.4
140.14388	1.3
144.01193	1.2
146.06047	1.5
147.04436	12.5
147.07692	2.0
147.11356	1.1
148.03943	7.2
150.05544	4.8
152.03438	1.2
152.07069	13.4
152.10693	1.1
154.04961	2.9
154.12276	1.3
158.09975	1.6
159.07854	1.1
164.03452	4.3
164.07079	2.1
165.04230	9.0
166.05005	32.0
168.06592	25.5
169.02577	2.1
170.08133	22.8
173.12863	2.0
174.09232	1.6
177.05408	1.1
182.04504	57.8
182.12933	1.2
183.05295	7.8
183.11334	4.0
184.06073	1.4
190.34485	1.0
196.06062	100.0
197.06696	1.8
199.18077	3.5
200.14029	1.6
201.12331	1.1
203.04778	1.1
207.11290	2.9
208.05957	1.3
216.17616	1.5
219.04822	13.5
221.13033	1.0
224.13528	1.0
227.17624	3.2
229.11835	2.0
233.16618	1.2
240.09821	1.5
242.15025	1.5
244.09724	1.3
245.09155	2.2
245.14961	1.6
258.10968	2.6
273.08807	2.0
289.11768	2.1
291.09888	3.2
294.14496	1.3
305.11475	1.8
315.09915	2.4
322.16644	4.7
323.12488	2.6
333.10837	47.8
347.12512	2.2
355.23337	1.3
365.08466	75.3
365.15533	10.1
365.20816	19.8
365.70728	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41109	0.2
55.05512	0.7
67.05512	1.1
68.05025	0.3
69.03444	0.3
69.07097	0.5
70.06586	0.9
71.05003	0.3
71.52081	0.4
72.08125	0.3
79.05502	1.0
81.03425	3.5
81.07060	1.0
83.04995	0.8
83.08614	1.2
84.08147	1.1
85.02897	0.6
86.09702	0.6
93.07045	0.8
94.04068	0.3
95.04990	1.2
95.08607	0.2
97.06529	0.4
98.09706	0.8
105.07027	1.0
107.04948	0.4
107.08598	0.6
111.08071	0.4
119.03555	1.3
119.08582	0.6
120.08117	0.5
121.06524	0.7
121.10135	0.4
125.09651	0.5
126.12887	0.2
129.07031	0.5
131.08540	0.5
133.10165	0.4
136.06187	100.0
137.04585	0.7
137.06590	0.5
137.09686	0.2
142.07689	0.2
145.09995	0.3
147.08054	0.3
147.11693	0.6
149.09657	0.4
152.05690	2.1
157.10149	0.7
174.07796	1.1
175.08440	0.3
175.11189	0.6
193.12239	1.8
209.08286	0.2
211.13275	2.0
241.10620	0.5
259.11783	0.2
261.32834	0.2
269.10602	0.3
273.13715	0.4
287.11087	0.6
288.96402	0.2
302.17630	1.7
310.16599	0.3
311.48624	0.2
320.18726	0.3
328.17719	0.7
346.18759	2.1
364.19794	41.4
365.20224	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24715	0.5
53.03944	1.0
56.05021	1.3
56.71500	0.5
56.96555	0.9
57.03423	0.9
60.04520	1.3
62.41732	0.5
65.58760	0.6
69.03438	1.0
70.06593	5.4
71.04975	1.2
71.51921	0.8
72.08147	1.8
74.06077	0.8
77.03940	0.6
79.05492	3.3
81.07065	0.5
83.59740	0.7
84.04493	2.5
84.08146	3.9
84.27388	0.5
84.30389	0.7
85.02904	2.1
86.06062	1.3
86.09713	1.6
91.05489	1.4
93.07037	1.3
95.04994	0.6
97.02909	1.0
98.09674	1.0
98.97584	0.9
103.05466	2.0
104.47914	0.6
105.07030	100.0
106.07353	1.1
107.05025	0.5
109.25952	0.7
110.07158	1.6
112.82018	0.6
114.05511	1.9
116.98630	0.6
119.04961	1.5
120.08112	3.0
121.06508	5.3
122.09667	55.4
129.10228	1.9
130.05020	2.5
133.05130	0.6
136.06160	1.6
136.07527	1.2
147.04399	4.4
148.07561	8.0
156.07692	1.2
163.03923	1.1
175.07552	0.6
176.07062	22.4
193.09732	25.1
197.55913	0.6
203.12144	0.6
216.56226	0.8
219.01605	0.6
219.04745	1.3
365.08496	2.1
365.17105	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	364.1755
Annotation	Longaninine
Peak:m/z	Relative Intensity
50.33245	0.2
51.02383	0.4
53.03948	1.6
55.01875	1.8
56.05047	0.3
57.03436	0.5
58.06598	0.2
63.49965	0.2
67.05498	0.5
68.05022	0.6
69.03405	0.3
70.02924	0.2
70.06577	0.5
70.55819	0.4
70.56190	0.5
71.04964	0.3
73.47485	0.2
77.03929	0.6
79.05492	0.9
80.05013	1.6
80.06272	0.5
81.03413	0.9
81.07053	0.8
82.06568	0.3
84.08138	0.6
85.02902	0.4
86.06080	0.3
91.05485	8.4
93.07044	12.5
94.06583	1.3
95.04969	2.2
96.04498	0.4
97.06487	0.4
98.06049	0.5
103.05471	8.9
103.06155	0.4
105.04505	1.2
105.07037	0.6
106.06566	0.6
107.04957	0.9
108.04472	0.4
108.08097	0.4
109.06497	0.5
110.06063	0.5
112.07624	0.7
117.07033	0.2
118.06545	0.3
119.04916	0.3
119.08583	0.3
120.04501	0.3
120.05731	4.8
120.08083	0.5
121.06509	100.0
122.06026	0.4
122.06829	0.5
123.04486	0.2
125.08376	0.4
126.05518	0.6
126.09148	0.7
133.06427	0.2
134.06044	0.4
136.07564	2.0
137.05995	1.0
138.09195	0.5
140.07047	0.3
143.10545	0.3
144.10196	0.4
150.05496	0.3
150.09116	0.5
152.07030	0.4
154.08646	0.6
156.10199	0.3
164.06964	0.3
164.10785	0.3
166.08655	0.9
168.06581	0.8
170.08141	0.6
176.10637	0.3
178.08618	0.2
180.06596	1.3
182.08142	0.9
188.09175	0.4
190.08565	1.1
196.09763	0.3
198.07623	6.2
198.09358	0.4
208.09686	0.2
210.07591	3.0
218.11748	0.5
226.10779	1.9
228.08804	0.2
240.12364	0.8
244.11818	17.5
256.13208	0.4
274.14420	0.6
288.12509	0.4
297.04654	0.2
318.13425	1.4
342.42212	0.2
346.16647	1.3
346.20151	0.2
364.17545	29.6
365.18030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03948	2.2
55.01870	0.6
55.05517	0.3
57.03440	0.2
57.07072	0.2
60.29618	0.2
61.12966	0.2
65.03941	0.4
66.40043	0.2
67.05501	0.9
68.05025	0.6
70.06577	0.3
70.57767	0.2
70.70463	0.5
71.04990	0.3
71.06295	0.2
77.03941	0.5
79.05495	1.3
80.05031	1.6
80.06281	0.6
81.03435	1.3
81.07060	1.3
82.06578	0.4
84.04530	0.5
84.08163	0.7
91.05487	7.4
93.05801	0.8
93.07049	12.7
94.06585	1.1
95.04980	2.4
96.04530	0.3
97.06477	0.3
98.06032	0.5
103.05471	8.3
105.04516	1.0
105.07026	0.7
106.06587	0.7
107.04983	0.8
108.08135	0.7
109.06499	0.7
110.06032	0.6
112.07581	0.4
118.06564	1.3
119.04964	0.3
119.06862	0.5
120.04448	0.5
120.05731	6.8
120.08107	0.8
121.06510	100.0
122.06057	0.5
122.06813	0.6
126.05518	0.9
126.09177	2.9
128.07101	0.4
131.08580	0.3
134.06046	0.4
136.07571	0.9
137.05975	0.5
138.09178	0.8
142.08601	0.3
144.08058	0.3
144.10219	1.1
146.06007	1.7
147.06345	1.0
148.07639	0.3
150.05551	0.3
150.07965	0.2
150.09140	0.7
154.08627	0.4
156.06590	0.5
156.10214	0.7
166.08661	1.9
168.06578	0.5
168.10167	0.7
170.08112	0.6
176.10637	0.3
176.14357	2.6
177.14693	2.7
178.08601	0.3
178.12254	0.3
180.06577	0.3
182.08150	5.0
188.07079	0.7
189.07442	0.8
190.08624	1.7
194.15126	0.2
194.41551	0.3
198.07622	3.3
210.07489	0.3
210.11143	0.3
214.44609	0.3
226.10725	0.7
228.08658	1.5
234.11314	0.3
240.12314	3.6
244.11807	6.4
256.13229	0.3
274.14401	0.8
288.12112	0.4
318.13376	6.0
346.16437	0.8
349.22308	0.3
364.17502	30.1
364.20966	1.6
365.18091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
54.38028	0.2
55.01863	0.6
55.05499	0.3
56.05029	0.9
56.55500	0.2
56.96555	0.4
57.03435	0.4
58.06594	0.2
59.04996	0.4
60.04519	1.0
60.05642	0.3
61.02919	1.1
62.62308	0.2
67.05492	0.2
68.05022	0.7
69.03430	2.6
69.07056	0.4
70.02946	0.3
70.06597	3.1
71.01350	0.2
71.04978	0.7
71.51832	0.3
72.04504	0.8
72.08156	1.4
73.02914	1.7
74.06086	0.2
81.03429	1.6
82.06566	0.4
84.04509	5.8
84.08146	3.4
85.02908	3.2
85.08434	0.3
86.02451	0.3
86.06061	0.9
86.09702	1.3
87.04486	0.5
88.04011	0.3
91.03947	0.6
91.05486	0.6
93.07035	0.5
95.04980	0.3
95.06065	0.3
95.08591	0.3
96.04481	0.5
97.02885	2.2
98.06059	1.0
98.09708	0.3
98.97578	0.6
99.04436	0.6
100.03989	2.1
100.94114	0.2
102.05515	0.3
103.03989	0.2
103.05411	0.2
106.05000	0.2
107.21665	0.2
108.04472	0.5
109.02869	1.2
110.06046	0.4
110.07153	1.1
110.97584	0.5
112.03968	1.6
112.08704	0.3
112.11251	0.4
114.05533	1.8
116.07094	0.3
116.98637	0.3
119.04961	0.6
120.08096	0.8
121.06509	2.9
122.06066	0.2
124.03931	1.7
126.05510	0.4
127.03917	2.0
129.10254	0.9
130.05005	100.0
131.05305	0.6
136.06201	0.2
136.07587	1.1
139.08652	0.3
142.05019	0.2
145.04991	1.2
147.04424	1.2
157.10748	0.2
157.75424	0.2
166.04979	0.3
167.07112	0.3
172.06020	1.1
191.11967	0.3
196.05956	0.3
202.10757	0.3
207.10133	0.3
217.07059	0.6
219.01820	0.4
237.02826	0.5
238.03459	0.2
238.34448	0.2
241.02025	0.3
247.48053	0.2
301.08176	0.3
319.08997	0.4
324.92987	0.6
325.17969	1.0
364.12219	3.5
364.18921	0.5
365.17032	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	363.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
55.05514	4.8
57.07061	1.8
59.05008	0.6
67.05509	4.5
69.07073	8.9
71.04980	1.4
71.08627	1.1
72.08134	0.5
79.05489	2.8
81.07060	9.6
83.08621	4.0
85.06533	0.5
89.06014	0.9
91.05470	2.0
93.07060	3.8
95.04951	0.6
95.08614	7.5
97.06528	2.1
97.10139	0.8
97.72556	0.4
99.08081	0.6
100.07101	0.5
100.18147	0.5
105.07018	2.6
107.08609	4.8
109.06528	8.7
109.10155	4.2
111.08091	2.2
117.06961	0.6
119.08605	3.7
121.10174	3.1
123.08074	52.9
123.11677	2.4
125.09586	0.9
131.08569	0.8
133.10139	3.3
135.08047	4.4
135.11693	2.3
137.09625	4.0
137.13284	1.2
145.10101	0.8
147.11685	1.8
149.09575	1.2
149.13280	2.5
151.09761	0.4
151.11206	1.3
159.11743	1.7
161.13205	1.6
163.11172	0.8
165.12692	0.6
167.14372	0.6
173.13310	0.6
177.12769	0.8
179.14325	15.0
181.49724	0.5
193.15929	0.5
213.60718	0.5
229.39041	0.7
275.20102	1.4
280.82849	0.5
289.25235	0.8
295.22672	0.7
303.26920	1.0
307.22714	7.8
331.26456	4.0
363.28940	100.0
364.29349	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	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.9
57.07076	4.8
67.05512	4.1
69.07074	3.7
70.68700	0.6
70.69037	1.4
71.08646	4.1
75.06879	0.5
79.05489	2.7
81.06601	0.6
81.07056	7.9
83.04990	0.8
83.08599	0.8
85.06556	3.2
89.06014	1.8
91.05474	1.9
93.07058	3.2
95.08063	0.9
95.08614	7.6
97.06525	1.3
99.08083	1.9
105.07023	1.6
107.08633	3.1
109.06525	17.0
109.10188	3.1
111.08107	1.0
111.11730	0.6
111.79395	0.5
118.84344	0.6
119.08563	2.5
121.10134	1.6
122.07290	1.7
123.08075	26.3
123.11697	1.2
131.08513	0.9
133.08612	0.8
133.10141	1.6
135.08061	2.4
135.11687	1.2
137.09563	0.8
137.13263	0.8
139.11174	0.9
145.10123	0.8
147.11679	1.5
149.09630	0.6
149.13260	0.8
159.11728	1.2
165.12810	0.9
167.14331	1.3
177.16518	0.7
179.14320	96.3
180.14716	0.7
185.94525	0.5
193.15871	4.0
195.12320	0.7
199.17825	0.6
307.22714	1.0
313.25217	0.6
331.26419	3.8
338.34271	0.5
363.28955	100.0
364.29251	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	363.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
54.93650	2.4
55.01856	3.1
55.05516	16.5
55.54388	2.4
56.05013	3.0
57.03432	4.9
57.07073	10.3
59.05014	3.3
65.03941	2.8
67.05510	33.3
69.03435	3.9
69.07072	55.7
69.07453	1.8
70.05986	11.5
70.06587	24.2
71.04984	7.3
71.08636	2.6
72.08165	2.7
77.95057	2.4
79.05495	21.0
80.05057	2.6
80.48748	2.3
81.07061	100.0
83.04988	3.0
83.08618	23.1
84.08150	13.5
85.02919	3.2
85.06550	11.5
86.09733	3.4
91.05479	11.0
93.07046	37.2
94.06541	2.6
95.08613	76.8
97.06512	9.5
97.10173	7.3
98.97556	4.3
99.08092	4.2
105.07049	12.4
107.04958	7.9
107.08599	31.5
109.10155	30.3
111.08120	15.0
111.11712	14.8
119.08554	15.4
120.08097	3.5
121.10165	16.8
122.06058	3.1
123.04447	2.4
123.08105	3.5
123.11710	34.9
125.09657	6.0
125.13271	3.2
126.12796	5.3
127.11205	5.4
129.07086	3.1
131.08603	4.5
133.10127	7.3
135.08066	4.6
135.11711	16.1
135.12604	2.6
136.07587	4.0
137.13261	32.5
138.09102	3.2
147.11772	3.8
148.07584	2.6
149.06027	2.7
149.09657	3.9
149.13264	28.7
153.12752	19.5
155.14313	10.3
159.08089	3.4
161.13242	3.9
163.03885	22.8
163.07628	2.9
163.14830	6.2
167.14291	7.6
171.11716	2.4
173.09624	3.5
173.15364	3.6
239.94803	2.9
279.26889	6.2
289.14325	10.6
289.17975	2.8
290.17557	5.5
291.26862	17.7
297.27814	3.9
309.27942	19.8
317.08496	2.7
345.25528	4.0
363.17709	5.6
363.21948	6.6
363.26468	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73604	0.3
52.25313	0.3
55.01861	0.4
55.05500	0.8
56.05025	0.3
57.03415	0.8
60.04502	0.4
67.05492	1.0
69.03413	0.6
69.07062	0.7
69.85220	0.6
69.85629	0.9
70.06602	2.3
71.04971	0.5
72.08151	0.5
79.05470	1.0
80.05044	0.3
81.03454	0.3
81.07057	2.3
83.04998	0.3
84.08151	2.5
85.02903	0.9
86.09711	0.3
87.04455	0.4
91.05474	2.5
91.58163	0.3
93.07036	1.4
95.04968	0.8
95.08597	0.8
98.09687	0.4
98.20842	0.4
103.05475	0.8
105.07021	1.2
106.06538	0.4
107.04955	0.4
107.08606	0.7
109.10142	0.6
110.07160	0.4
115.05447	0.9
117.07015	2.3
118.06549	26.0
119.08602	0.9
120.04361	0.3
120.05728	0.3
120.08147	0.3
120.74673	0.3
121.05676	0.5
121.06510	6.7
121.10161	0.4
123.08063	0.6
125.09571	0.3
126.09101	0.3
126.11075	0.3
126.12852	0.6
130.06500	0.4
131.08530	0.4
132.08099	2.3
133.08884	1.0
133.10020	0.3
134.09622	0.5
135.08081	0.4
136.07603	0.3
138.09138	0.3
142.06560	1.9
143.07298	2.5
143.08359	0.5
144.08093	12.2
144.09242	0.7
145.06491	0.6
145.10107	0.9
146.06017	45.0
146.09654	2.1
147.06310	0.4
150.09193	0.4
155.06061	0.3
157.10147	0.5
159.08046	0.6
160.07596	0.4
163.11186	0.4
170.06042	3.7
173.09740	0.3
174.32968	0.3
176.14349	100.0
177.14714	1.2
188.07074	29.8
189.07513	0.3
204.63942	0.3
205.60651	0.3
216.13884	1.0
234.14886	1.9
243.87997	0.3
271.16891	0.4
289.17880	0.7
290.17578	0.8
317.26703	0.5
363.20700	31.3
363.25754	1.8
364.17477	2.1
364.21213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
54.54571	0.4
55.05514	1.4
57.03447	0.6
57.50362	0.4
60.38903	0.4
62.40474	0.4
65.03951	0.5
66.40839	0.5
67.05508	1.6
68.05025	1.2
69.03446	0.8
69.07059	0.5
70.06601	3.9
71.05003	0.6
72.08172	0.6
72.82018	0.4
79.05498	2.4
80.05029	1.0
81.03403	0.5
81.05820	0.5
81.07063	1.9
83.04964	0.5
83.08611	0.6
83.52268	0.4
84.04511	0.5
84.08150	3.9
85.02914	0.5
86.09714	1.1
91.05485	1.1
93.07048	1.1
94.06562	0.9
94.81979	0.4
95.04949	0.8
95.08628	0.8
96.04503	0.5
96.08131	1.6
97.06527	0.4
98.06072	0.4
98.09692	2.1
98.97589	0.6
105.07061	1.4
106.06544	1.0
106.34403	0.4
107.08568	1.5
109.10140	0.6
110.07217	0.5
111.08116	0.4
114.84575	0.4
120.08142	1.1
121.06512	1.1
121.10152	1.1
122.06071	0.5
122.09677	13.2
123.06832	0.9
123.08102	0.6
124.07588	7.2
126.12794	1.6
129.10269	0.4
132.08063	0.6
134.06021	70.8
135.06339	0.4
136.06197	1.3
136.07587	0.9
140.10713	10.4
140.14366	0.6
145.10139	0.5
146.06079	0.4
146.74864	0.4
147.04379	0.9
150.05515	0.8
150.12794	2.2
151.11131	1.0
152.07068	100.0
158.15378	1.3
158.99570	0.4
159.11803	0.5
160.07594	0.6
164.10713	2.0
182.11900	0.6
194.11798	1.3
206.08105	0.6
207.13795	1.6
212.12820	75.7
213.13245	0.8
251.60934	1.3
271.10696	1.7
281.10623	0.7
290.17267	0.8
296.08057	1.0
297.07846	0.6
331.12708	0.5
345.17902	1.0
363.19012	16.8
363.22772	2.1
364.20087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74044	0.5
55.05510	3.6
57.07082	5.7
58.06591	2.0
59.05006	0.6
67.05505	10.8
69.07063	2.0
69.34673	0.5
69.75198	1.0
69.75591	1.3
70.06596	18.7
71.04995	9.7
71.08631	3.6
72.08144	0.9
79.05489	2.0
81.07056	7.6
83.08630	2.4
84.08138	2.1
85.10176	0.8
86.09711	2.7
87.04476	0.5
88.07632	8.7
91.05479	0.7
92.67709	0.6
93.07049	1.6
95.08601	1.5
97.10165	2.8
98.21467	1.0
98.49960	0.5
99.08077	1.2
102.09192	5.1
105.07016	1.0
107.08579	1.2
109.10165	8.4
114.09180	0.6
119.08582	1.2
119.56741	0.5
123.11730	1.8
125.09637	2.6
132.10207	6.2
133.10054	0.6
146.11760	6.7
151.11201	0.8
155.10663	5.5
155.14302	9.8
171.10150	0.8
173.11729	14.1
189.11203	3.6
212.23759	1.6
238.25195	1.1
241.19681	0.5
256.26349	16.9
277.21695	4.4
295.22653	1.9
300.28976	30.9
309.24301	0.7
344.31821	1.1
362.32651	100.0
363.32889	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55145	0.4
53.07656	0.4
56.05035	0.8
56.96564	7.4
60.05648	0.7
61.02924	0.7
69.03433	1.6
70.06596	3.5
71.51315	0.6
71.82014	0.5
71.95265	1.0
72.08142	1.2
73.02933	0.7
74.06099	0.8
81.03431	1.0
83.06085	0.8
84.04508	1.0
84.08151	4.5
84.96052	1.1
85.02914	2.4
86.06084	0.5
86.09713	3.7
86.97625	0.5
87.10037	0.6
91.05467	1.2
91.73997	0.4
96.04529	0.4
97.02893	1.7
98.09715	0.8
98.97586	100.0
103.05468	0.5
110.07172	1.3
110.97549	3.4
112.89607	0.7
112.99136	0.8
114.05531	1.5
116.98626	29.6
119.01911	0.7
119.04931	0.5
121.06509	5.8
124.99142	0.6
127.03943	1.0
128.98601	2.7
129.10263	2.1
131.00166	0.8
131.02022	0.4
134.05946	0.7
134.99663	5.2
136.06200	3.7
136.07600	0.6
140.00188	0.9
140.98637	0.6
143.00198	1.2
145.01697	0.7
146.99689	0.9
147.04408	1.4
148.04680	0.4
158.99658	54.4
161.01222	0.8
170.99680	1.5
177.00722	40.9
183.03313	0.8
183.05069	0.6
186.04350	0.7
187.14404	0.5
188.14868	0.7
189.00647	1.2
189.04367	0.6
195.01811	1.5
199.04678	0.4
200.02364	1.4
201.00768	1.4
201.04399	1.1
219.01776	33.9
237.02809	10.0
238.55795	1.8
243.05437	3.6
255.03766	0.7
273.08221	0.6
275.07962	0.6
278.11642	0.5
282.09348	0.9
285.06183	0.5
289.06012	0.7
291.57819	0.5
296.06900	0.4
300.07608	1.4
303.04202	0.5
303.07510	15.0
303.10895	0.8
307.07202	1.3
318.08606	4.3
321.08554	17.2
363.10077	9.4
363.15427	1.6
363.19629	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.5
55.05290	0.5
55.05517	4.5
57.07082	5.6
58.06599	1.2
59.04988	0.8
67.05512	13.0
68.90929	0.5
69.07057	1.4
69.47910	3.6
70.06601	17.6
70.20738	0.4
70.44944	0.4
71.04607	0.6
71.05001	11.8
71.08638	3.2
72.08150	2.0
79.05485	1.5
81.07057	6.5
83.08662	2.5
84.08141	2.1
85.10176	0.7
86.09695	1.4
88.07642	8.5
89.06043	0.4
89.14398	0.4
90.10491	0.5
91.05494	1.1
93.07036	1.4
95.08595	1.8
97.10187	3.2
97.42091	0.4
99.08096	1.1
101.12440	0.5
102.09186	4.9
105.07093	0.5
107.08574	1.5
109.10169	9.4
114.09152	0.8
119.08591	1.0
121.10162	0.8
123.11712	2.0
125.09637	2.3
131.08546	0.5
132.10233	5.4
133.10086	0.7
135.11609	0.6
143.80130	0.5
146.11769	6.2
151.11163	0.8
155.10672	6.3
155.14322	11.5
161.13181	0.5
173.11757	16.2
179.14305	0.9
189.11234	3.7
212.23778	2.3
238.25307	1.3
256.26395	18.4
264.68149	0.5
277.21661	5.5
295.22632	1.7
300.28992	29.6
308.34497	0.5
309.24234	0.5
344.31613	1.4
362.32669	100.0
363.32950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05499	1.5
57.07080	7.1
57.96992	0.6
67.05498	2.7
69.07069	3.6
70.06594	53.1
71.04986	4.1
71.08620	1.4
71.51479	0.7
72.08142	2.0
72.67196	0.7
74.09718	14.8
79.05495	7.5
81.07056	51.2
83.08609	1.5
84.08131	0.7
91.05482	1.7
93.07037	3.5
95.04966	2.3
95.08603	4.3
97.06530	0.8
98.06099	0.8
98.09668	0.7
99.08064	0.7
104.04806	0.6
105.07023	1.8
107.08590	2.3
109.06514	3.5
109.10147	1.8
110.09668	1.2
116.36235	0.7
119.08566	2.1
120.08108	2.2
121.06499	1.0
123.29359	0.6
125.03003	0.8
131.08591	1.5
133.10139	1.6
142.12218	1.0
147.11707	1.3
150.12779	100.0
151.13255	0.6
152.14323	3.2
153.68584	0.6
159.38434	0.6
165.12744	12.8
168.13846	1.2
175.11299	0.6
180.13860	2.7
184.13477	0.9
191.14351	1.1
196.13345	4.1
199.13266	1.4
210.18501	1.2
212.12814	1.4
240.19695	0.9
248.20108	4.9
262.46344	0.6
264.20700	0.6
264.23209	4.1
289.21613	1.5
332.85803	0.7
344.29544	0.9
362.26831	74.8
362.30676	8.1
363.27200	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.2
55.05516	1.0
56.05040	0.5
57.07076	8.3
58.06604	2.2
62.58779	0.1
65.00170	0.1
67.05507	1.7
68.05022	0.3
69.03439	0.1
69.07072	0.6
70.06593	18.8
71.04991	2.4
71.08240	0.2
71.08631	3.7
71.52096	0.1
72.08154	0.8
74.06091	0.3
79.05495	0.5
81.07050	1.4
83.08620	0.8
84.08134	0.9
85.07707	0.1
85.10172	1.2
86.06084	0.2
86.09718	0.5
88.07632	25.9
89.06018	0.7
91.03930	0.1
91.05483	0.5
93.07029	0.4
95.08598	0.5
96.56296	0.1
97.10178	0.5
98.09684	0.2
99.08057	0.3
102.09182	17.9
105.07015	0.2
107.08618	0.2
109.10176	1.0
114.09146	0.7
117.64919	0.1
119.08573	0.4
121.06518	0.1
121.10181	0.2
123.11731	0.2
125.09645	0.5
125.49030	0.1
128.46558	0.1
132.10213	0.6
135.11719	0.1
136.07579	0.1
151.11217	0.2
154.07910	0.1
155.10698	0.4
155.14308	2.1
159.11673	0.2
173.11760	2.0
173.13188	0.2
176.12827	0.4
189.11223	0.6
190.14381	0.4
194.13878	0.3
210.22108	0.2
212.23692	1.0
227.16426	0.2
230.18913	0.2
238.25354	0.3
256.26346	64.0
257.26691	0.7
277.21567	0.7
344.31607	5.3
351.56128	0.1
362.32629	100.0
363.32965	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
51.40938	0.2
53.03923	0.8
55.01870	0.2
55.05511	0.2
56.05043	1.3
57.03423	0.4
58.06570	0.2
59.05003	1.2
60.04527	0.3
68.05025	1.9
69.03088	0.2
69.03432	2.9
69.07061	0.6
69.65377	1.1
70.02977	0.3
70.06590	3.8
70.68476	0.2
71.04992	4.6
72.08155	1.3
74.06075	1.3
74.95044	0.2
81.03407	0.8
82.06618	0.3
84.04507	10.5
84.07693	0.3
84.08141	3.1
85.02901	1.8
85.08480	0.4
86.06058	0.5
86.09706	3.7
86.98985	0.2
87.04457	0.5
87.05577	0.4
87.10091	0.2
88.03989	0.3
91.05455	0.7
93.07062	0.3
96.04491	3.8
97.02899	3.0
98.06077	0.5
98.21484	0.3
99.04466	0.3
101.07143	0.7
102.05534	0.4
104.05343	0.4
105.05516	0.4
105.07053	0.2
107.04960	0.2
109.02879	1.6
110.06046	0.3
110.07154	0.9
114.05531	100.0
115.05882	1.3
119.04924	0.6
119.07330	1.1
120.08121	0.5
121.06506	0.4
124.11287	0.2
126.05539	0.5
127.03924	1.3
129.10260	1.5
130.05003	1.4
130.08723	0.2
136.06212	0.4
136.07565	0.6
138.05486	0.2
142.12273	0.4
143.11761	0.2
145.04991	0.8
147.04440	1.2
156.06583	1.6
156.07730	0.5
158.15425	0.2
165.09145	1.2
187.14418	3.6
206.09050	0.2
215.13878	0.9
228.08762	0.8
235.07680	0.4
237.02899	0.2
237.39821	0.2
240.08755	0.3
253.08685	0.4
256.08206	1.4
258.09891	0.2
270.11511	0.3
299.09415	0.2
316.11795	0.9
344.13416	1.5
345.09705	0.3
362.14569	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	362.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
56.05023	0.6
57.03431	0.2
59.05007	1.1
60.04511	0.3
63.63263	0.1
68.05029	1.8
69.03432	2.7
69.07082	0.2
70.06595	1.8
71.04994	4.5
71.26867	0.2
71.27202	0.2
72.08150	0.4
74.06076	0.8
80.05020	0.1
80.15010	0.2
81.03407	0.5
82.06572	0.2
84.04507	3.4
84.08138	2.0
85.02904	1.4
86.06064	0.4
86.09714	2.1
87.04465	0.9
88.03989	0.3
89.27495	0.2
91.05469	0.3
94.62244	0.2
96.04494	4.1
96.05116	0.2
97.02895	2.2
98.06085	0.2
98.09696	0.2
99.04449	0.2
101.07153	0.4
105.05516	0.2
107.04947	0.3
109.02877	0.6
110.06052	0.3
110.07166	0.8
112.08744	0.2
114.05532	100.0
115.05868	0.6
119.04954	0.3
119.07318	0.7
120.08089	0.3
121.06518	0.3
126.05533	0.5
127.03928	0.8
129.10239	1.0
136.06232	0.2
136.07561	0.3
138.05516	0.3
142.12282	0.3
143.11757	0.2
145.04977	0.5
147.04439	0.4
149.85701	0.1
156.06570	1.6
156.07736	0.4
165.09158	0.6
187.14418	2.6
201.90251	0.1
211.07742	0.1
215.13982	0.6
217.76109	0.1
228.08723	0.1
230.10400	0.1
231.08626	0.3
235.11908	0.2
253.08727	0.2
256.08102	0.2
270.11276	0.2
290.97971	0.2
299.09186	0.1
316.11884	0.6
326.12357	0.3
344.13489	1.3
345.09857	0.2
362.14554	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	362.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
56.05029	0.4
57.03430	0.2
60.04509	0.2
66.99899	0.2
68.05037	2.0
69.03428	3.5
69.07076	0.2
69.63064	0.9
70.06596	2.2
71.04996	5.1
72.04507	0.3
72.05314	0.3
72.08148	0.7
74.06081	0.4
81.03427	0.6
82.06614	0.2
84.04508	3.4
84.08141	1.7
85.02906	1.8
86.00645	0.2
86.06037	0.4
86.09695	0.7
86.99056	0.5
87.04494	0.8
96.04494	5.1
97.02908	1.9
97.04764	0.2
98.06035	0.4
98.21442	0.3
99.04433	0.2
103.05497	0.2
105.05521	0.3
105.22252	0.2
109.02856	0.6
110.06070	0.3
110.07190	0.7
112.02142	0.2
114.05535	100.0
115.05880	5.5
116.05962	3.5
116.06859	0.2
116.06990	0.2
119.04971	0.2
120.08088	0.5
121.06538	0.3
126.05517	0.4
127.03943	1.0
129.10205	0.9
130.04999	0.3
136.06190	0.3
136.07550	0.2
138.05464	0.2
143.02727	0.3
145.05008	0.3
147.04439	0.5
156.06538	1.4
175.11909	0.2
189.03357	0.7
225.65437	0.2
316.12021	0.2
326.12457	0.2
344.13269	1.3
362.14273	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	362.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
55.05498	1.1
56.05035	2.1
60.04511	2.4
60.22347	0.8
69.03423	1.4
70.06599	20.8
71.04986	1.0
71.26116	1.8
72.08169	9.9
73.08488	0.9
74.06068	1.5
81.04544	1.0
81.07040	2.1
84.04500	3.6
84.08152	15.0
85.02895	1.6
85.08451	2.3
86.09707	13.9
87.10043	1.2
88.03978	1.0
91.05484	2.8
97.02880	1.8
98.09634	0.9
98.97561	0.9
102.05530	1.0
103.05441	1.1
105.07043	1.1
107.04970	1.1
110.07181	9.1
115.08658	0.9
116.07076	1.0
119.04980	1.8
119.30003	0.8
120.08108	6.1
121.06495	1.4
129.10249	8.5
133.06334	0.8
135.09178	6.2
136.06190	4.1
136.07617	2.6
137.06561	1.5
138.78365	0.9
141.06975	1.2
146.99704	1.1
147.04419	2.5
153.06975	0.9
155.08496	0.9
156.07703	1.2
165.07039	7.0
169.06512	1.4
173.09236	1.6
173.12871	1.7
177.07088	1.1
177.13863	0.8
178.07727	3.0
179.08569	9.1
181.06538	1.4
181.09802	1.2
183.08076	18.2
187.07501	1.3
187.10881	1.8
189.06956	4.3
191.08510	1.7
193.06241	4.5
194.07335	2.6
195.08000	2.0
197.05931	1.9
200.12772	1.2
205.06509	1.4
207.08072	63.7
209.09784	2.0
211.07576	16.0
217.06511	6.4
218.07249	1.8
219.08052	2.1
221.05916	7.9
223.07558	9.5
224.05275	0.9
225.09201	3.3
234.06711	1.4
235.07561	100.0
237.09114	2.5
239.07042	29.8
243.06729	1.1
253.08627	84.5
254.08942	1.8
257.08017	4.1
263.07108	3.7
267.20642	1.8
270.11212	1.9
281.08130	21.3
284.09412	1.1
298.10785	2.8
299.09174	34.4
316.08890	1.0
316.11832	26.7
344.11459	1.6
345.09784	8.9
345.13684	1.5
362.12338	84.7
362.16473	3.4
362.24570	5.4
363.12628	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.05514	25.6
57.03441	3.7
57.07092	11.8
59.05009	2.3
67.05508	25.7
69.03437	6.0
69.07076	46.0
69.30795	16.7
70.06595	18.3
71.04994	10.8
71.08644	2.7
72.08176	2.4
79.05492	18.9
80.05046	3.7
81.03429	3.2
81.07065	100.0
82.06581	2.6
83.04984	12.7
83.07365	1.9
83.08633	16.6
84.08163	7.6
85.02898	3.2
85.06552	9.6
86.09737	5.5
87.04476	5.0
91.05493	13.3
92.75001	2.1
93.07047	50.4
94.06610	2.7
95.04991	15.2
95.08618	59.5
96.08141	2.3
97.06551	8.5
97.10190	7.7
98.09695	2.3
99.08102	4.0
100.11270	4.1
105.07041	21.1
105.10148	1.7
107.08608	31.7
108.04527	4.6
108.08148	5.9
109.06553	6.2
109.10168	39.5
111.04449	2.1
111.08082	8.6
111.11755	6.3
117.07015	2.6
118.06527	2.0
119.08590	18.4
120.08112	4.4
121.06532	4.9
121.10160	27.5
123.08134	2.8
123.11713	27.7
125.09644	3.5
125.13306	2.0
127.11214	3.9
129.07085	2.2
131.08615	3.8
132.08037	1.9
133.10155	9.1
134.09683	2.5
135.11693	21.0
136.03987	10.0
137.09593	2.1
137.13292	11.3
139.11241	4.8
140.07062	3.1
143.08624	2.5
144.04517	2.9
145.10139	10.7
146.09637	2.1
147.11749	12.1
148.03966	3.2
149.13278	9.9
150.12766	2.3
151.11337	2.1
151.14774	2.6
153.12756	10.2
155.14366	2.4
156.13966	2.2
159.11740	7.1
160.04048	2.0
161.13316	5.1
162.05539	2.1
162.12881	1.9
163.11263	3.9
163.14909	4.4
165.12854	3.7
167.14340	2.1
168.06664	6.4
172.03947	3.4
173.13313	2.3
175.14958	2.4
176.14365	34.8
177.16405	3.3
181.12256	3.1
187.66675	1.8
204.06564	9.9
215.18031	3.2
224.05548	16.0
229.13501	2.8
231.11404	3.6
233.78833	2.0
245.12885	2.9
245.16782	2.3
246.18645	2.7
248.16577	8.2
260.15128	11.8
264.19742	4.1
277.15549	2.7
277.25278	2.2
278.16397	4.3
287.10220	3.1
289.25385	6.5
295.26480	7.8
301.11996	2.8
301.15674	2.2
307.26379	11.2
315.24557	7.6
329.15015	3.3
333.14606	6.4
333.18808	1.9
343.23828	12.2
361.24875	86.4
362.26990	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	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01868	2.8
55.05266	2.8
55.05512	30.4
57.03426	3.1
59.05006	4.9
59.42976	1.7
65.03928	2.3
67.05505	67.6
68.74871	1.9
69.03419	4.1
69.07069	23.5
70.06586	5.6
70.76456	2.7
70.76796	3.7
71.04993	60.5
73.06565	3.3
79.05493	49.4
81.07053	28.1
83.04967	2.4
83.08624	19.6
85.06533	4.9
87.08095	3.6
91.05493	21.2
93.07045	57.6
95.04935	2.9
95.08615	22.9
97.06524	9.1
97.10175	25.4
105.07040	20.3
107.04923	2.0
107.08595	47.8
109.06513	2.5
109.10160	60.9
110.10655	1.9
111.08052	4.4
117.07037	3.9
119.08571	12.2
121.06488	6.4
121.10147	47.3
122.06792	2.3
123.08167	2.3
123.11681	5.0
125.09621	20.4
131.08554	7.1
133.10109	12.4
135.08018	4.2
135.11670	6.3
137.09602	4.3
145.10133	7.1
147.11697	5.8
149.09598	7.8
149.13174	2.9
153.12746	35.4
155.10672	31.6
157.10081	2.0
159.11670	7.6
161.13277	4.6
163.11214	3.0
171.10178	4.2
171.11644	3.7
173.11745	100.0
179.14301	2.6
181.12279	2.6
187.11125	3.1
188.46588	2.0
189.11218	22.8
195.13766	2.8
227.16478	9.3
257.19028	5.5
275.20053	54.6
293.20993	5.2
307.22726	3.7
342.21231	4.2
360.21924	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	361.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
55.05501	1.5
56.05048	8.8
56.13156	1.4
56.96572	17.1
57.03438	1.9
58.06590	1.9
60.04517	4.4
60.05642	2.8
63.10482	1.5
68.05027	1.8
68.72834	1.3
69.03420	8.9
69.07066	6.2
69.65497	8.5
70.02950	2.9
70.06596	37.0
71.04997	4.5
72.08162	15.3
73.02909	1.9
73.08501	2.8
74.06075	16.0
80.03801	1.4
80.04988	1.5
82.06562	2.4
83.06104	14.7
84.04037	2.7
84.04504	23.9
84.08145	36.3
84.96033	4.5
85.02924	12.3
85.08467	2.5
86.06079	2.3
86.09708	100.0
87.05589	3.4
87.10027	3.0
88.04012	7.0
91.05485	8.6
94.06565	2.0
95.04992	2.4
96.04468	4.5
97.02907	9.1
97.07749	1.6
98.02409	2.0
98.06058	3.5
98.09683	4.6
98.55314	1.3
98.96950	1.6
98.97594	31.7
99.05521	1.3
99.97891	1.6
101.07142	5.4
102.05537	7.7
105.15413	1.4
107.04951	1.8
109.02884	2.9
110.06026	2.4
110.07167	6.0
110.97565	14.8
112.08723	3.5
112.99136	2.9
113.07140	2.3
114.05535	71.4
115.05161	2.7
115.05879	28.4
115.08704	2.0
116.07053	2.6
116.98622	10.0
119.04944	9.9
120.05303	1.9
120.06599	20.1
120.08092	5.6
121.06516	3.3
121.51362	1.3
123.14065	1.5
124.03857	1.9
124.99104	1.8
125.07140	4.9
127.03926	3.1
128.98628	10.4
129.06648	4.2
129.10249	21.2
130.05003	4.4
130.08615	2.8
130.09642	1.5
131.00197	2.6
134.99629	2.3
136.06197	23.7
136.07581	3.8
137.05786	1.3
141.06633	2.8
141.10207	3.0
143.00163	3.5
143.11823	4.2
145.05063	2.1
146.99640	3.8
147.04417	26.1
147.07658	2.5
147.11353	1.5
148.04832	3.3
148.06087	2.8
152.05696	6.9
152.10732	2.4
153.10274	3.9
154.01784	2.7
155.08310	1.6
158.99663	5.0
159.07706	3.1
159.09134	2.3
161.01210	3.2
161.09375	1.6
163.03856	1.9
165.06970	7.1
166.08644	1.8
170.99614	2.9
171.11284	4.0
172.02779	2.5
173.09161	2.0
175.11960	5.5
177.00713	3.8
178.07765	2.3
179.08565	15.3
180.84679	1.4
181.06628	2.5
181.09761	10.5
182.03314	1.3
183.08084	22.0
183.11292	3.2
185.16463	1.6
186.12364	1.9
186.16904	2.0
187.10806	1.9
187.14420	6.0
189.00806	3.4
189.06940	1.8
190.07782	1.7
191.08626	3.3
191.10225	2.7
193.06342	3.3
193.07837	1.9
194.07307	3.0
195.07974	1.8
196.14465	13.7
197.05981	3.1
197.12862	9.1
199.10780	17.8
200.13936	6.2
201.00717	2.8
201.12355	3.3
202.08307	1.7
207.08055	44.8
208.06096	1.8
208.08653	1.6
209.09633	4.3
210.09171	7.8
211.07553	17.8
211.14470	1.8
213.15994	2.1
214.15642	6.3
215.13910	3.8
217.06519	3.4
219.01793	23.4
219.08147	2.4
219.13338	2.2
220.02180	4.0
221.05974	9.6
223.07536	3.1
224.05624	1.9
224.13936	6.1
225.09213	1.6
225.12297	2.5
228.13463	2.8
229.12022	1.5
230.07744	2.7
230.11452	3.4
230.55998	18.4
231.06213	2.2
231.56813	3.2
234.09039	2.6
235.07555	90.6
237.02814	27.9
237.09102	7.2
238.03198	7.1
238.08571	4.0
239.07051	58.9
242.15048	6.3
247.12840	2.9
252.10214	62.5
256.16672	1.6
263.07050	9.1
267.06717	1.7
280.09680	12.7
281.08057	42.6
281.10931	2.9
284.09222	5.8
285.11011	2.0
297.12350	36.5
298.05884	7.6
298.10745	72.5
301.07904	7.5
315.13434	15.1
316.07013	10.3
319.09000	10.8
325.17923	1.7
326.10342	8.8
326.17102	6.7
343.12869	65.3
343.19348	10.8
344.11215	5.7
344.17538	1.8
360.72552	1.8
361.05856	2.7
361.13589	46.9
361.19479	6.9
362.06464	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	360.2531
Annotation	Corumdizinine
Peak:m/z	Relative Intensity
53.46045	1.4
55.05503	6.1
56.96562	2.2
57.03442	1.4
60.44649	1.3
67.05508	3.3
69.07056	2.1
69.69306	1.1
70.06608	17.2
70.66705	1.8
70.67046	3.0
79.05482	5.6
81.07056	8.9
84.08132	1.9
86.09723	1.8
87.10918	1.3
91.05469	5.3
93.07056	5.3
95.08586	4.2
98.06026	1.8
98.90002	1.6
105.07024	4.9
107.07362	1.8
107.08581	3.1
108.08122	6.2
117.07021	1.8
119.08579	2.4
120.08098	6.2
121.08889	2.2
121.10164	1.8
122.09678	5.2
131.08606	2.0
134.09668	13.6
135.10483	2.1
136.07556	3.5
136.11235	8.3
137.11949	1.6
138.12840	2.5
146.09685	4.0
147.08006	1.8
148.07658	2.1
148.11205	5.8
150.12787	3.4
160.11200	3.4
162.09192	3.3
162.12766	10.3
163.13585	4.5
164.07095	7.5
171.52316	1.5
174.09131	3.3
174.12756	2.4
176.10699	1.9
178.12317	15.2
186.09123	2.7
190.12277	22.8
202.12350	4.7
206.11766	20.3
232.20711	1.8
260.20123	79.1
270.18619	2.0
288.19595	46.7
319.19476	13.7
332.26123	2.1
337.20505	15.2
342.24304	2.2
360.25378	100.0
361.25824	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.6
55.05506	13.2
63.10321	1.6
67.05506	26.1
69.03430	1.7
69.07065	15.1
70.46550	4.9
71.04994	32.1
72.02108	1.5
73.06530	2.6
73.70387	1.4
77.03902	2.0
79.05496	25.3
81.07056	18.2
83.05015	1.8
83.08640	7.2
85.06572	1.8
86.73667	1.4
91.05479	14.4
92.05790	4.8
93.06490	2.1
93.07042	33.9
94.07365	4.6
95.04962	2.9
95.08597	10.3
97.06514	5.7
97.10161	8.1
103.05451	6.7
104.05765	3.5
105.04480	2.2
105.07042	7.9
107.04945	2.6
107.08601	17.9
109.10154	15.7
111.08058	1.9
113.09595	1.7
115.18505	1.5
117.07019	2.9
119.08562	6.3
121.06506	100.0
121.10153	27.1
122.06837	62.9
123.11687	2.7
125.09624	5.9
130.33054	1.4
131.08519	2.2
133.10135	7.6
135.08112	1.6
135.11711	2.8
137.09660	2.1
140.85646	1.6
145.10060	2.8
147.11665	2.9
149.09575	3.5
149.13231	3.0
153.12729	22.3
155.10704	11.7
159.11684	2.4
161.13261	1.6
173.11732	30.8
177.12640	2.5
179.14268	1.7
189.11232	7.6
195.13794	2.8
227.16389	11.4
240.14258	1.8
257.18954	2.8
270.16824	3.1
275.17227	2.5
275.20065	21.5
293.21350	1.7
307.22519	1.9
360.19971	8.7
375.27591	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
53.73768	0.2
55.05513	0.4
56.05033	0.4
57.07075	2.5
67.05511	0.3
68.05037	1.7
68.52383	0.2
69.03441	3.3
69.07069	0.3
69.34931	2.0
70.06605	2.7
70.82089	0.2
71.04996	5.1
72.08157	0.3
75.05156	0.3
77.11241	0.2
79.05510	0.3
81.03413	0.7
81.07026	0.3
84.04497	1.8
84.08153	1.0
85.02924	0.6
85.06560	0.4
86.06054	0.5
86.09717	1.0
90.34149	0.3
91.05492	0.4
93.07026	0.4
96.04495	3.3
97.02914	1.7
98.09686	0.4
107.85599	0.2
109.02900	0.6
110.07215	0.5
114.05535	100.0
115.05858	0.5
120.08085	0.5
121.06546	0.4
122.09696	0.4
126.05534	0.4
127.03928	0.3
129.10272	0.4
156.06520	1.8
187.12361	0.4
240.08630	0.3
342.15439	1.5
360.16531	7.6
360.21887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2534
Annotation	Corumdizinine
Peak:m/z	Relative Intensity
55.05522	5.8
65.88538	1.1
67.05494	3.3
69.07072	1.7
70.06596	12.0
71.51825	2.4
79.05483	4.4
80.05013	1.6
81.07056	9.2
83.07368	1.8
83.08603	2.3
84.08136	1.5
91.05495	2.5
93.07055	3.9
93.71450	1.2
94.06564	1.6
94.07828	1.3
95.08603	4.0
96.08134	2.2
98.06076	1.6
105.07040	2.7
107.07333	2.2
107.08601	3.2
108.08126	7.2
109.08911	1.1
119.08606	1.9
120.08105	10.0
121.08895	1.4
121.10141	1.8
122.06046	1.5
122.09678	4.2
123.08125	1.4
131.08629	2.2
132.02150	1.2
133.10156	1.6
134.09647	15.3
135.08032	1.5
135.10417	1.1
135.11740	1.1
136.07599	3.5
136.11220	11.0
137.12041	1.7
138.12808	2.5
145.08975	1.2
145.10083	1.5
146.09653	2.6
148.11180	7.1
150.09088	1.5
150.12732	3.0
160.11249	3.1
161.12001	2.6
161.93488	1.2
162.09155	3.2
162.12793	10.6
163.13580	5.1
164.07097	9.4
174.09177	4.2
174.12785	2.5
176.10732	3.1
176.14444	1.6
177.11464	1.8
178.12283	16.5
184.65306	1.1
186.09149	3.3
186.12773	1.7
188.10757	2.4
190.12274	31.1
192.13831	1.6
200.10738	1.5
202.12285	4.6
202.15822	1.2
206.11775	28.6
228.13855	2.9
232.20642	3.3
260.20117	82.5
261.20609	1.7
270.18552	3.5
288.19580	56.7
314.24890	1.7
342.24329	11.0
360.25354	100.0
361.25537	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	359.3157
Annotation	AKD 2A
Peak:m/z	Relative Intensity
50.11521	1.3
55.05516	18.2
57.03447	7.5
57.07082	100.0
67.05182	2.2
67.05512	32.0
69.03419	1.3
69.07072	19.2
69.75893	3.3
69.76305	4.6
70.06586	6.3
71.04976	2.0
71.08637	82.1
75.04475	4.6
79.05482	2.1
81.06599	2.3
81.07065	42.3
83.08625	23.2
85.10193	45.2
88.07626	4.6
89.06050	2.3
89.07966	2.2
93.07037	3.1
95.08617	62.7
97.10180	25.2
98.20780	1.6
99.11685	2.5
105.03712	2.9
106.08682	2.4
109.10164	29.1
111.11745	11.7
113.13284	3.8
121.10150	1.7
123.11715	16.8
125.13283	3.3
137.13292	9.5
146.49751	1.5
151.14827	2.2
165.16463	1.5
193.19580	1.8
249.25775	3.8
267.26862	20.6
271.03378	1.5
285.27954	5.5
296.29648	7.5
326.30731	2.1
337.65244	1.6
341.30533	87.1
359.17114	2.0
359.37155	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96373	0.2
53.03946	0.8
55.01840	0.2
58.36642	0.2
68.05026	1.5
69.03429	2.7
71.04994	4.4
73.02908	0.2
81.03416	0.5
84.04504	1.1
84.08159	0.3
85.02899	2.1
86.02404	0.2
86.06062	0.3
92.57458	0.2
96.04491	1.5
97.02906	2.1
98.20721	0.3
103.03940	0.7
109.02869	0.4
110.06063	0.2
114.05534	100.0
115.03969	0.3
115.05881	0.5
126.05569	0.3
127.03929	0.5
147.04448	0.4
156.06558	2.7
157.04948	0.3
229.07053	0.2
229.58655	0.2
240.08705	0.3
258.09854	0.5
276.10757	1.2
307.07059	0.2
328.31448	0.2
342.11804	0.9
360.12927	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	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21088	0.6
55.05517	5.1
56.05026	2.3
57.95050	0.7
60.04519	1.1
60.05639	0.8
65.03950	0.8
68.05018	1.0
69.07039	1.1
70.00532	1.0
70.00948	2.1
70.06594	22.3
71.31471	0.7
72.08157	44.8
73.08466	1.1
74.06120	1.2
79.05495	0.9
84.04509	10.2
84.08139	8.9
85.02895	1.0
86.06066	1.3
86.09708	16.9
91.05489	9.2
97.02285	0.6
98.06051	0.6
98.09705	1.1
102.05549	6.5
110.07169	2.4
112.08714	1.1
113.07139	0.6
116.07095	0.7
118.06881	0.7
119.04944	22.2
120.08095	4.1
121.06519	1.1
129.06615	1.0
129.10243	4.0
130.04997	0.8
132.10211	6.2
136.06183	1.5
136.07588	0.7
143.11765	1.0
146.08658	0.7
147.04413	100.0
148.04767	1.3
155.08170	0.7
156.10245	0.6
183.11302	1.2
183.14832	1.1
197.12892	5.0
201.12343	15.3
211.14468	0.7
229.11844	19.7
243.13420	5.7
243.83583	0.6
247.11133	2.6
261.14487	1.4
263.14020	1.0
359.82428	0.7
360.19339	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	359.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01888	4.6
55.05511	25.0
56.05028	3.7
57.03424	3.6
57.07060	9.5
58.06585	1.9
61.01137	6.9
62.71525	1.9
65.03943	2.4
67.05508	29.3
68.05014	4.1
69.03429	8.6
69.07065	42.4
69.78607	8.3
70.06594	32.4
71.04991	7.9
71.08656	2.6
72.04482	2.5
72.08153	9.3
79.05484	20.4
81.03439	3.0
81.07056	100.0
81.07536	4.8
83.04974	6.0
83.08623	17.8
84.04511	3.5
84.08157	19.6
85.02908	3.8
85.06549	21.9
86.06059	5.7
86.09719	16.2
91.05476	16.3
93.07047	39.7
95.04964	9.7
95.08610	71.6
96.08137	32.3
97.02900	2.7
97.06535	8.3
97.10165	15.8
98.06049	2.7
98.09672	6.3
99.08102	6.3
101.05991	2.3
103.05510	3.0
105.07030	19.5
107.08605	37.3
109.06525	7.1
109.10157	27.7
110.07182	5.4
111.04420	6.4
111.08095	15.6
111.11732	8.2
113.06040	2.9
115.08703	2.1
117.06995	2.6
119.04961	2.9
119.08585	19.2
120.08119	5.6
121.06512	10.3
121.10133	29.6
123.08068	5.0
123.11710	45.4
124.07583	2.8
125.06131	2.5
125.07079	3.8
125.09631	4.3
129.05431	2.4
129.07022	3.4
129.10242	7.6
130.05034	2.5
131.08546	5.8
133.10066	11.6
135.08043	3.5
135.11674	13.6
136.06177	3.3
136.07620	2.8
137.05981	7.0
137.09601	3.1
137.13246	21.1
139.11194	9.7
140.14337	2.8
142.08655	7.9
143.08577	3.8
143.10638	2.6
145.10132	5.8
146.05923	2.4
147.11679	8.9
149.13264	32.2
151.03925	20.7
151.05019	3.6
151.07521	4.6
151.11192	3.8
153.05478	4.4
153.12755	6.5
155.14290	4.5
157.10141	4.9
157.12196	10.0
159.08336	10.3
159.11713	4.2
161.13280	6.7
163.11159	2.9
163.14825	5.5
165.09113	2.5
165.12753	2.7
169.12291	2.7
171.13731	2.9
175.07545	5.6
175.09790	3.5
175.14838	3.7
177.12729	3.2
179.07033	3.2
179.08513	2.5
179.14288	2.4
184.09744	3.3
185.13292	2.6
187.13269	13.6
189.09111	8.7
191.18018	2.4
203.12839	4.6
206.04463	2.3
269.22650	2.9
277.25262	3.7
287.23688	6.1
293.24777	9.4
305.24759	37.5
323.25763	11.6
327.13535	2.7
341.13974	8.9
359.12704	2.8
359.19846	70.0
359.23138	4.9
367.77460	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	359.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01870	1.2
55.05507	4.4
57.03437	1.6
57.07100	1.5
61.02935	1.2
67.05505	8.9
68.05006	1.6
69.07086	5.3
69.07413	1.2
70.06597	9.6
72.08146	1.7
79.05497	22.5
80.05009	3.5
81.07058	10.9
82.06593	1.3
83.04988	1.6
83.08613	1.8
84.08139	3.1
85.02882	2.2
85.06493	1.7
86.06094	1.1
86.09722	1.3
91.05475	12.3
91.85698	1.3
93.07047	29.3
95.04974	2.6
95.08613	12.1
96.04495	2.7
97.02898	1.5
97.06558	1.2
98.09667	1.3
103.05479	1.9
105.07035	8.5
106.06554	14.7
106.98951	1.0
107.04978	1.4
107.08599	14.8
108.08099	1.3
109.06524	2.2
109.10175	2.8
110.06052	16.6
111.04501	1.7
112.33432	1.1
117.07040	4.0
119.08569	4.6
119.20604	1.0
120.08120	4.3
121.06503	5.7
121.10183	3.7
122.06039	2.1
123.06802	6.8
129.06889	1.2
129.10159	1.1
131.08595	1.4
133.09059	1.6
133.10136	5.9
134.06015	2.6
134.09653	2.6
135.11703	3.9
136.43608	1.0
137.05948	1.1
138.12796	1.4
143.08572	1.5
145.06387	1.0
145.10144	2.6
145.77899	1.3
147.06836	1.5
148.11195	1.8
150.12785	2.6
152.10718	67.2
157.10143	1.7
161.09631	2.1
162.05521	4.4
162.09181	4.3
162.12782	56.1
164.10722	4.4
167.51753	1.1
174.78822	1.0
177.13878	2.9
179.10719	1.3
180.10103	1.0
190.08658	10.9
190.12273	2.6
192.10188	4.3
194.77432	1.1
196.73419	1.0
255.13733	1.4
259.14337	1.9
267.11301	1.9
295.10767	1.5
299.14011	1.2
313.22742	24.4
327.13284	6.6
341.22250	100.0
342.22568	2.7
359.16043	3.0
359.23279	62.1
360.22824	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.2
53.03949	1.5
55.01870	0.2
68.99120	0.1
70.95345	0.3
71.37303	0.1
72.42430	0.1
72.42856	0.1
77.03924	0.6
91.04911	0.2
91.05483	5.8
93.07047	10.2
95.04979	1.4
101.68855	0.1
101.72400	0.1
102.04621	0.1
103.05467	7.0
105.04518	0.6
107.06137	0.1
107.08530	0.2
121.06507	100.0
122.06853	0.6
122.09663	0.2
127.45245	0.1
146.06026	0.4
149.10738	0.6
150.12791	0.2
164.10793	0.2
175.08699	0.9
177.13837	0.7
182.11766	0.4
197.36147	0.1
208.09074	0.1
212.12790	0.6
239.13896	1.8
268.02106	0.1
269.16531	1.9
297.19614	0.2
332.18707	0.2
359.19641	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	359.2288
Annotation	Asn Ile Leu
Peak:m/z	Relative Intensity
55.05510	0.7
56.05036	0.5
60.12773	0.4
67.05509	0.5
68.73100	0.3
69.06683	0.7
69.07069	13.7
69.89473	1.1
70.02944	2.4
70.06583	2.0
72.08159	1.0
73.04038	1.1
74.02434	0.7
74.06098	0.5
84.08148	1.7
85.04028	3.6
86.09706	100.0
87.05591	10.7
87.10065	0.8
88.03992	3.0
88.60419	0.5
91.05471	0.4
93.07063	0.4
96.08136	8.0
98.02417	8.3
98.09728	0.4
103.59786	0.5
108.08162	0.4
109.19964	0.4
110.02381	2.9
110.09682	3.3
111.07333	0.4
112.11258	0.9
113.10781	2.9
114.05531	0.4
114.09138	0.5
115.05049	1.1
120.08205	0.4
124.03944	0.9
124.07576	0.6
129.10255	0.7
130.08675	1.2
132.10208	6.0
138.09131	5.1
140.91374	0.4
141.10225	21.0
149.02368	0.8
155.11794	26.9
166.08630	3.8
171.11267	1.5
181.05008	0.4
182.12874	0.6
183.11298	17.0
200.13942	97.2
201.14304	1.0
211.10808	1.1
228.13437	30.8
228.57523	0.4
229.11696	0.5
229.13728	0.5
237.15936	0.4
245.18593	2.4
255.17056	1.7
273.49496	0.4
283.16486	1.4
300.19107	0.6
317.98242	0.4
325.17526	3.2
342.20193	1.6
359.23038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.9
56.05042	4.2
58.87403	0.6
60.04511	1.1
63.20129	0.6
68.05029	1.3
69.03447	0.8
69.07066	2.2
69.24358	6.5
70.06595	12.5
71.04983	0.8
72.08156	65.9
74.06074	1.1
79.28999	0.7
82.06575	0.9
83.06103	40.5
84.04507	40.1
84.06439	0.7
84.08147	13.1
85.02921	0.9
86.06047	1.4
86.09707	100.0
87.05633	0.7
87.10054	1.6
88.04007	1.0
91.05490	1.8
93.07072	0.8
94.06539	0.6
96.04527	0.8
96.08128	2.9
98.06055	1.4
98.09705	1.4
98.20704	1.3
101.07148	8.8
102.05556	1.7
103.05466	0.7
110.07176	1.6
110.09676	2.3
112.08783	1.0
113.07149	0.7
114.05559	1.6
116.07111	1.2
118.08652	5.1
119.04935	2.2
120.08112	3.4
121.06465	1.1
129.06609	5.1
129.10246	9.3
130.05031	1.3
130.08624	0.9
132.10210	49.8
134.04472	1.6
136.06177	1.5
136.07549	1.0
137.05977	1.8
138.09140	20.3
143.11789	4.3
147.04424	6.5
148.04741	1.8
152.10724	0.9
155.11806	9.9
157.09773	2.6
157.13370	3.0
165.10222	0.7
171.11319	1.6
175.07510	1.1
175.10748	1.5
182.12892	45.2
183.11295	41.7
184.11635	0.7
185.16512	2.1
187.07475	0.8
187.14421	2.0
189.12375	0.9
196.14423	3.4
197.12917	3.3
199.18102	1.5
200.13948	17.8
203.13910	3.5
210.12372	17.1
211.10791	6.5
213.15965	0.8
214.15469	1.5
215.13991	1.1
224.13924	1.2
225.12439	1.2
228.13437	12.9
229.13655	0.7
231.17000	1.5
239.12776	1.2
242.15082	1.6
260.16144	1.2
270.18231	2.2
275.09613	0.7
296.19641	1.3
323.12796	0.9
324.19220	1.3
327.16193	0.6
341.21838	37.0
342.20401	2.3
359.12854	0.9
359.19254	2.4
359.23132	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.4
65.03950	1.0
67.05508	1.0
69.07063	1.1
70.06581	1.8
70.77453	0.9
79.05490	1.4
80.07496	0.4
81.07054	1.9
84.04511	0.6
84.08118	1.3
86.09690	0.4
89.03912	1.1
91.05478	1.1
93.07040	1.4
93.72778	0.4
94.06577	0.9
95.04990	0.5
95.08598	1.3
97.06549	0.7
99.10394	0.4
105.07031	1.6
107.07323	1.8
107.08558	1.4
108.08175	1.0
109.10175	0.9
110.07234	0.4
116.04984	5.7
119.08598	0.7
120.04498	1.9
120.08101	0.7
121.06523	1.0
121.10172	0.6
122.06052	1.4
122.09687	3.9
123.11701	0.6
129.10213	0.5
133.10126	0.8
134.06059	0.7
136.07585	0.9
138.09114	0.7
144.04456	12.0
145.10033	0.5
146.06015	1.6
148.03978	2.4
149.05818	0.4
150.09157	24.7
162.05531	4.0
167.97284	0.5
172.03944	50.4
190.04984	3.8
204.06573	100.0
205.06882	0.7
222.07700	1.0
222.86641	0.5
255.19376	0.5
257.12915	0.8
285.12311	1.4
327.13382	0.6
341.14935	6.1
359.22681	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1602
Annotation	14,15-Dihydroxygelsenicine
Peak:m/z	Relative Intensity
50.30375	0.2
51.14357	0.3
58.80220	0.3
61.30996	0.2
63.67449	0.3
65.03615	0.4
65.03942	6.1
67.05495	0.4
70.78571	0.3
80.04990	0.4
81.07036	0.6
82.06562	0.5
89.03936	0.5
92.04494	0.3
92.05018	3.3
93.03393	0.3
93.07023	0.4
94.06578	1.1
95.08632	0.4
98.21634	0.5
105.07036	0.8
107.07340	2.8
108.08123	10.4
110.06080	0.6
110.09649	0.4
116.04992	2.3
120.03634	0.5
120.04469	8.0
120.08099	0.3
122.06037	3.3
122.09679	3.1
135.06810	1.1
136.07558	1.4
138.05504	0.7
138.09126	1.6
140.07109	0.4
144.04445	7.3
146.06020	0.3
148.03937	100.0
149.04187	0.4
150.09151	27.5
162.05502	4.3
166.05006	11.8
172.03944	24.7
190.03592	0.3
190.04997	8.4
204.06569	46.0
222.07639	0.8
228.93864	0.3
229.13397	1.1
240.10141	0.3
257.12857	16.0
259.14581	0.4
272.20047	0.3
285.12347	60.4
286.12698	0.5
297.12057	0.3
309.12332	0.3
327.13397	16.9
328.13501	0.4
341.14938	1.4
359.15997	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74286	31.3
55.05498	54.4
67.05494	100.0
68.05045	35.7
69.07079	69.1
70.06585	54.1
70.66160	80.7
79.05492	60.2
81.07059	84.1
83.08602	46.8
83.14735	41.0
84.08109	59.5
91.05501	75.2
93.07040	68.7
95.04994	54.8
95.08621	68.8
105.07065	70.7
107.08614	42.4
119.08609	71.2
133.10153	61.3
137.09682	41.0
144.10266	33.8
151.11179	41.7
165.09203	41.1
202.40450	37.8
207.13866	35.3
211.13304	40.4
225.14885	46.9
290.46765	37.3
358.23904	46.8
367.01736	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2635
Annotation	Ligantrol
Peak:m/z	Relative Intensity
53.03931	4.7
53.36294	1.6
53.71256	1.6
54.15270	1.5
55.01863	3.5
55.05281	2.7
55.05515	34.3
57.03428	2.4
57.07074	8.2
59.04988	3.5
65.03943	3.6
67.05508	28.6
69.03436	13.3
69.07071	65.8
70.06568	4.7
70.68377	4.6
71.04984	5.9
72.08139	1.9
78.53522	1.7
79.05499	14.6
81.07060	100.0
82.06586	2.5
83.04976	6.2
83.08614	9.5
84.08138	3.0
85.06093	1.7
85.06553	17.2
86.09689	2.9
91.05465	10.5
93.05788	1.7
93.07046	33.7
94.06581	2.1
95.04986	15.6
95.08613	66.4
97.06525	10.7
97.09563	3.0
97.10178	55.5
99.04464	2.2
99.08099	14.3
101.06001	3.9
104.04980	2.2
105.07038	21.9
107.07354	4.1
107.08598	32.0
108.08125	29.6
109.06515	11.0
109.10159	22.9
110.06064	1.8
111.08086	23.9
111.11728	19.3
115.07631	1.7
115.11189	2.0
117.07012	2.8
119.08580	20.3
120.08071	2.7
121.06481	4.6
121.09331	2.7
121.10143	30.2
122.06038	10.4
122.09669	3.3
123.08057	4.0
123.11712	75.9
125.09616	3.6
131.08554	5.1
132.04399	2.3
133.10123	12.4
135.08043	3.0
135.11697	24.8
135.15649	2.0
136.03923	2.2
136.07585	3.1
137.09608	4.4
137.13269	11.3
138.09166	9.8
139.11189	52.9
140.07112	3.4
141.12785	2.8
143.08485	1.8
145.10094	7.0
147.11691	27.5
148.03920	6.5
149.09584	4.0
149.13237	3.8
150.09151	29.2
151.11159	5.8
153.12750	21.3
154.05017	3.6
157.11031	2.4
157.12254	41.6
159.11697	11.1
160.03961	10.6
161.13234	9.8
163.11147	8.0
163.14828	3.5
165.12756	11.9
167.10777	1.7
169.12239	4.4
171.13757	2.5
172.03954	2.2
173.13164	2.3
175.14772	3.0
177.12775	5.3
177.16428	2.6
179.14275	3.1
181.12169	2.0
187.13237	6.4
187.14781	3.3
187.97231	1.8
188.03313	3.6
194.04674	3.5
195.17393	3.0
200.14328	2.5
201.16307	3.2
203.12787	13.6
204.06546	4.0
205.15726	2.6
206.04497	50.3
212.05951	2.5
220.06067	27.7
223.16895	4.7
233.15367	5.2
233.18987	1.7
247.16983	2.9
251.16396	11.5
263.12741	2.4
265.18188	2.6
271.58380	2.5
273.15952	4.9
275.23813	10.4
280.58875	3.5
283.10712	4.3
285.22144	5.3
287.10291	5.1
291.23190	16.3
301.15527	11.9
303.23199	55.9
309.24210	5.5
317.61771	1.7
321.24252	74.7
327.11700	3.3
329.14548	1.9
339.13345	3.1
339.25443	12.8
357.14404	10.3
357.18155	4.0
357.25565	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	357.2638
Annotation	Ligantrol
Peak:m/z	Relative Intensity
53.03938	2.1
55.01870	3.9
55.05274	3.6
55.05515	43.0
56.05032	6.0
57.03441	4.7
57.07064	5.0
67.05502	18.7
69.03419	7.0
69.07071	46.0
70.06597	13.3
71.05005	7.1
71.52062	2.5
72.08152	6.1
74.44244	2.2
79.05511	12.1
81.03419	3.8
81.07060	66.0
83.04972	5.1
83.08614	7.1
84.04496	4.0
84.08149	11.7
85.02897	3.5
85.06534	9.9
86.06030	2.3
86.09710	8.3
91.05457	10.8
93.07041	27.7
95.04978	8.7
95.08611	57.0
96.04474	3.3
97.06551	10.8
97.10178	100.0
97.43195	1.9
98.06052	2.2
98.09699	7.5
99.08107	9.1
101.06025	4.8
102.05600	2.9
105.07043	24.2
107.08598	26.8
108.08118	3.7
109.02860	2.4
109.06520	7.8
109.10155	21.8
110.07176	2.6
111.08099	10.7
111.11739	11.0
113.09652	2.2
119.08591	13.1
121.06530	6.2
121.10153	23.9
123.08080	4.5
123.11708	39.8
125.09663	18.3
129.10222	4.5
131.08574	5.6
132.06744	2.3
133.10124	9.2
134.06036	2.5
135.11691	15.3
136.07622	3.5
137.05920	3.2
137.09633	4.7
137.13271	7.2
139.11188	23.1
143.10666	31.2
145.10098	5.1
147.11720	17.9
149.09659	3.8
149.13252	5.4
150.09154	3.6
151.08676	3.0
151.11177	5.8
151.14850	5.3
152.10690	5.5
153.12743	9.9
156.08446	4.2
156.10210	3.1
157.12242	19.9
159.11661	8.6
160.03966	3.2
161.13261	7.4
163.11156	5.3
163.14738	2.9
165.12767	9.0
171.10205	5.8
172.03967	9.0
173.13275	3.6
175.14822	2.9
177.09094	2.7
177.12698	3.4
179.10640	3.7
181.12300	3.2
187.13316	2.7
187.14862	4.5
189.11250	7.1
201.09167	2.2
203.12784	3.8
204.06581	13.2
207.02917	5.8
213.10551	2.4
247.17006	2.5
251.16418	2.7
259.11090	32.6
275.23816	3.5
285.22125	3.6
291.23193	6.9
303.23239	31.6
309.24371	3.9
321.24231	49.3
325.15009	2.3
339.25342	19.9
357.17493	6.0
357.21359	4.1
357.25305	4.8
358.21371	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	357.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01928	0.1
55.01882	0.2
55.05508	0.4
56.05031	0.1
56.08926	0.1
57.03436	0.2
57.87799	0.1
65.03933	0.8
67.05513	0.7
69.03439	0.2
69.07072	0.7
69.83429	0.2
69.83843	0.4
70.06591	0.9
71.05003	0.2
72.08167	0.4
79.05506	0.5
80.05025	0.2
81.03452	0.2
81.07053	1.2
82.06607	0.1
83.08613	0.1
84.04494	0.3
84.08138	1.0
85.02932	0.4
85.06539	0.3
86.09698	0.6
89.03924	2.3
91.05489	0.7
92.05011	0.2
93.05788	0.1
93.07040	1.1
94.06570	0.5
95.04978	0.4
95.07349	0.6
95.08624	1.0
96.08141	0.9
97.02862	0.2
97.06530	0.3
97.10171	0.3
98.09673	0.2
98.20795	0.2
103.05459	0.3
105.07052	0.8
107.04992	0.1
107.08591	0.9
108.08125	1.2
109.06538	0.3
109.10155	0.5
110.06038	0.1
110.09682	1.4
111.08112	0.4
116.04987	9.6
117.06998	0.1
118.06566	0.1
119.08575	0.3
120.04460	0.1
120.08115	1.5
121.06522	0.5
121.10153	0.5
122.06050	2.0
123.08099	0.2
123.11725	0.3
124.07558	0.2
125.05988	0.1
127.03875	0.1
129.07101	0.1
129.10269	0.2
132.04456	0.4
133.10150	0.3
134.06023	0.8
135.08049	0.2
135.11708	0.3
136.07581	2.0
137.06030	0.3
137.13388	0.1
138.09155	1.4
139.11191	0.2
144.04454	19.0
145.05190	0.4
145.10130	0.2
146.05949	0.7
147.11728	0.2
148.07588	0.7
149.09663	0.2
150.09149	0.2
151.07593	0.1
151.11220	0.2
152.07080	0.2
152.10722	0.6
154.08632	0.2
157.10083	0.1
159.11523	0.2
160.03928	0.2
160.07634	0.2
161.04811	0.2
162.05524	6.3
163.07687	0.1
164.07213	0.2
166.08647	2.6
171.75554	0.1
172.03941	64.9
173.04260	0.7
174.05502	0.3
177.09160	0.2
189.04192	0.3
190.04968	0.6
191.10699	0.2
204.06569	100.0
205.06905	1.1
223.08693	0.2
251.11699	0.2
255.11270	0.2
269.12753	0.2
283.10684	0.2
297.08069	0.1
297.11661	0.2
299.20901	0.3
303.23148	0.2
311.13919	0.2
321.24280	0.3
325.11691	0.6
329.14966	0.4
339.13287	0.7
339.25409	0.1
357.10550	0.3
357.14420	2.8
357.18240	0.2
357.25452	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
62.05840	0.1
63.02382	0.2
65.03952	0.8
65.04262	0.1
67.05505	0.4
68.05033	0.1
69.03434	0.2
69.07100	0.2
70.06604	0.7
71.51933	0.2
72.08155	0.4
79.05503	0.5
80.04993	0.2
81.07050	0.6
82.06586	0.2
82.42476	0.1
84.04523	0.3
84.08137	0.6
85.02934	0.3
85.06602	0.1
86.09714	0.8
89.03910	1.5
91.05480	0.4
92.05010	0.2
93.05778	0.2
93.07056	0.9
94.06563	0.4
95.07352	0.4
95.08618	0.2
96.08142	0.9
97.06551	0.3
98.09686	0.3
103.05441	0.3
103.30363	0.2
105.07032	0.3
106.06546	0.2
107.08601	0.4
108.08128	1.9
109.06515	0.2
109.08910	0.2
109.10173	0.2
110.09676	1.2
111.08039	0.2
116.04986	8.3
118.06583	0.2
119.08555	0.3
120.04475	0.3
120.08121	1.1
121.06495	0.4
121.10117	0.4
122.06036	2.6
124.07609	0.6
132.04428	0.2
133.05293	0.2
134.06053	0.7
135.11702	0.2
136.07590	4.5
137.06024	0.2
138.09145	1.5
144.04453	18.4
145.05167	0.3
145.10133	0.3
146.06023	2.3
148.03943	1.0
148.07578	0.8
148.08580	0.1
152.07057	0.3
154.08618	0.3
160.03944	0.2
160.37666	0.2
162.05513	6.7
163.11159	0.4
164.07076	0.2
166.08662	2.0
172.03938	60.3
173.04291	0.6
174.05519	0.9
176.07045	0.2
178.08688	0.2
180.06458	0.2
189.04259	0.2
190.04994	0.9
190.67580	0.1
191.10664	0.5
194.08194	0.2
204.06564	100.0
205.06891	1.1
206.08131	0.2
223.12384	0.2
235.08897	0.1
236.09419	0.4
251.11810	0.4
255.11296	0.4
257.12924	0.2
269.12857	0.5
279.11212	0.4
283.10803	1.5
297.12241	0.7
311.13971	0.3
325.11859	1.6
329.14975	0.6
339.13477	0.9
343.12762	0.4
346.48331	0.1
357.10178	0.3
357.14398	3.6
357.18280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1447
Annotation	14-Hydroxy-19-oxogelsenicine
Peak:m/z	Relative Intensity
50.22277	0.2
51.02355	0.2
53.03923	0.2
55.01868	0.2
55.05523	0.3
57.07059	0.3
57.07397	0.2
65.03935	2.4
67.01853	0.8
67.05489	0.3
68.37634	0.2
68.99783	3.2
69.71783	1.3
70.06577	0.3
79.05477	0.3
81.03410	0.2
81.07042	0.6
84.08112	0.3
85.02900	0.3
91.05491	0.4
92.04491	0.3
92.05005	3.7
93.03395	0.8
93.07044	0.4
95.04982	0.6
95.08575	0.3
98.97616	0.3
104.04992	2.3
104.40319	0.2
105.07022	0.7
107.08599	0.3
108.08126	1.2
115.78174	0.2
120.04472	10.8
120.53399	0.2
121.10140	0.4
122.06014	0.2
122.09675	0.6
123.04416	0.2
132.04465	1.3
136.07547	0.7
138.05476	1.0
138.09128	0.3
150.09152	4.5
155.97115	0.2
160.03973	2.4
178.04994	1.0
186.08937	0.2
188.03429	100.0
189.03708	0.7
196.06102	0.3
204.06465	0.4
206.04514	3.9
214.99066	0.2
220.06053	3.6
227.11734	1.1
243.27663	0.2
257.12875	0.5
269.12924	1.1
288.88852	0.2
297.12357	3.6
315.13577	0.4
325.11838	37.9
326.12125	0.6
343.12952	3.0
357.14404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64397	31.1
59.67998	36.1
65.37504	32.9
67.05508	44.6
69.60937	31.1
69.74714	74.7
69.75121	100.0
71.04937	36.0
79.05492	51.1
81.07043	89.1
89.62267	30.0
91.05484	44.2
93.07053	45.2
105.07052	44.2
109.10163	49.7
117.07015	38.4
120.66370	29.3
129.26205	33.9
133.10120	33.8
139.26300	33.2
157.10153	49.1
231.74803	38.6
303.23419	47.5
356.25931	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1337
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.03939	2.0
55.01880	11.0
55.05498	4.1
56.05016	1.3
56.96522	1.5
62.23728	1.3
65.03939	1.5
67.05490	5.8
68.05030	2.5
69.03429	3.8
69.07070	6.5
70.06601	7.2
71.04979	3.8
71.52025	2.6
74.35755	1.4
79.05502	7.0
79.15000	1.5
81.07076	11.0
83.04998	1.3
83.08617	2.0
84.04498	1.4
84.08141	5.0
85.02927	2.7
85.06531	3.2
86.09692	4.4
89.03925	1.5
91.05462	8.0
93.03436	2.3
93.07050	10.6
94.04178	5.5
95.04973	3.2
95.08606	6.2
96.04496	100.0
97.02868	1.8
97.06537	3.3
97.10188	1.5
98.09653	1.4
103.05453	4.4
105.07027	9.4
107.04945	3.4
107.08593	14.0
108.08079	1.6
109.06513	5.5
109.10171	3.6
110.07153	1.5
111.04428	4.1
111.08092	2.0
114.05533	27.6
115.05428	4.9
115.08633	1.2
119.08572	5.3
120.08143	2.5
121.06503	8.5
121.10139	6.5
122.03664	8.0
122.06010	1.9
123.07979	2.2
123.11700	2.0
125.06004	3.9
127.03888	2.4
128.06168	2.1
129.10228	1.4
131.04930	5.0
131.08522	2.0
133.06453	1.6
133.10132	2.2
135.08052	2.8
135.11664	3.0
136.06201	1.4
136.07593	1.9
137.05986	52.9
139.11186	1.5
143.04967	2.4
144.05746	2.1
145.10126	5.5
146.03651	3.0
147.04387	2.9
147.11665	1.5
149.05992	2.8
149.09628	4.2
150.09076	1.7
151.03903	2.6
153.05482	2.4
155.04927	2.6
159.08113	1.6
161.05997	14.0
162.06740	2.7
163.07549	3.1
163.11194	5.9
165.05489	20.6
165.06876	2.1
167.10657	1.8
169.08667	1.7
172.03925	7.4
173.09651	1.6
175.07506	4.1
177.05510	8.1
177.16357	1.4
179.08549	2.4
181.12265	2.6
183.04492	1.8
187.07527	3.1
189.07040	4.9
190.07779	5.8
191.08553	7.1
191.10617	3.1
191.12413	1.3
202.07803	3.7
203.07051	3.3
204.06609	12.4
207.08083	4.4
208.08939	3.1
215.06920	8.8
217.06526	3.1
218.07318	14.5
219.08055	19.1
221.06017	2.1
227.12737	2.6
229.06479	4.3
231.08203	1.8
233.09657	2.3
234.06889	6.3
235.07567	9.6
236.08318	5.5
237.05563	1.6
245.06062	3.0
246.06721	10.3
247.07571	18.5
248.08255	2.7
249.05457	2.0
249.09091	5.3
251.07005	3.2
251.10556	2.3
257.05957	5.4
258.06726	3.0
259.07538	3.1
261.09152	19.7
262.06274	2.4
262.09915	1.5
263.07031	9.1
264.07797	10.1
265.08572	2.9
267.10172	1.9
269.07950	2.2
274.06290	7.9
275.07080	11.7
277.08606	13.5
278.09293	4.3
279.10178	13.5
281.07898	1.8
281.15961	1.6
289.08603	33.0
290.09302	3.9
291.06461	3.0
292.07300	3.5
294.08859	3.6
295.09537	4.0
303.23071	2.0
305.07767	1.4
306.08856	4.3
307.09637	53.7
308.10275	2.5
309.11298	10.8
311.12634	1.5
311.24319	1.4
318.00793	1.6
321.11227	52.7
324.09586	1.6
327.12360	15.9
339.12253	30.1
339.15857	1.5
340.17630	6.6
357.12747	1.9
357.16959	2.7
357.21066	1.9
357.81332	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72545	26.1
53.03941	32.5
55.05521	47.1
62.06099	36.9
67.05521	53.2
68.08237	25.9
68.08656	27.7
69.07069	54.1
70.06595	45.2
70.10484	100.0
79.05499	58.4
81.07056	59.3
82.04070	26.0
84.08141	59.2
84.40195	28.7
91.05470	71.8
93.07044	71.2
95.08588	46.0
95.75219	25.0
98.21461	42.4
102.65671	29.4
105.07043	56.2
107.08578	56.3
109.04700	30.3
121.06545	34.5
131.08543	39.1
142.21384	28.7
145.10165	41.5
153.44269	29.3
159.11685	38.3
160.54965	40.2
183.11678	27.2
313.86166	28.2
319.01865	31.0
320.25800	59.0
336.39764	29.6
338.27051	41.1
356.25702	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	356.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.9
57.03428	2.9
57.07064	2.2
62.06092	100.0
67.05516	10.9
69.07070	8.4
69.98763	1.2
70.06586	2.6
71.04993	3.9
71.08618	4.9
71.51960	1.4
71.52343	1.4
72.08146	1.2
79.05491	8.6
81.03370	1.7
81.07059	13.3
83.04958	2.7
83.08624	2.5
84.08170	2.0
85.10147	2.0
89.88622	1.2
91.05483	6.6
93.07047	11.6
95.04958	3.8
95.08624	10.8
98.06023	1.9
99.08094	4.4
105.07027	8.0
106.81848	1.3
107.08593	4.7
108.55119	1.5
109.10149	4.4
119.08575	6.1
121.10136	7.2
123.11700	1.8
126.22148	1.5
129.07045	1.9
131.08574	2.2
133.10118	4.9
135.11679	2.6
141.12727	3.1
145.10149	4.8
147.11662	1.8
149.09607	1.7
151.11200	3.2
157.10051	2.1
161.09737	1.5
161.13184	1.9
163.11195	1.7
163.14746	1.3
171.11594	1.6
175.14767	1.6
196.13336	2.5
208.17029	1.6
210.14925	4.5
214.14474	1.9
226.18015	9.4
228.15921	7.2
241.19604	2.1
246.17004	4.2
247.14838	1.4
259.20612	3.1
277.21652	4.9
295.22678	3.1
320.25806	17.6
338.26901	42.3
356.27698	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	356.2219
Annotation	CHEBI:70099
Peak:m/z	Relative Intensity
55.05501	0.5
56.96544	1.0
58.57815	0.3
62.06083	0.7
67.05488	1.1
68.12747	0.4
69.03407	0.9
69.07058	0.9
70.06577	1.1
71.04990	0.3
71.51888	0.4
72.08171	0.6
73.02909	0.3
79.05477	0.9
81.03394	0.5
81.07074	1.8
84.04501	0.4
84.08122	1.0
85.02903	1.4
85.06540	0.4
86.09706	0.5
91.05441	0.7
93.07023	1.1
95.04926	0.5
95.08600	0.9
97.02905	0.5
97.06554	0.5
98.97588	0.6
105.07034	0.8
106.29002	0.4
107.08572	1.0
109.10169	0.6
109.97339	0.4
110.06047	0.8
110.07137	0.8
119.08586	0.8
120.08095	1.2
121.06542	0.9
121.10143	0.9
122.06007	0.7
134.06024	0.4
134.09628	0.4
136.07590	0.5
150.09116	0.7
165.09094	2.7
172.04066	0.4
178.14272	0.3
184.11269	1.1
185.12006	1.0
200.14352	100.0
201.14816	1.3
220.05907	0.5
228.17450	2.3
229.18335	2.2
238.15857	0.7
243.06598	0.4
261.11172	0.5
266.15421	0.5
296.20120	0.6
320.26242	0.4
324.19702	2.5
328.22662	0.5
338.17181	0.4
347.18039	1.2
349.20267	0.4
356.22211	63.8
357.22577	1.4
361.20612	0.4
367.21561	1.2
379.21353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24889	1.4
53.03946	2.2
55.05513	25.4
57.03430	4.5
57.07076	7.4
65.03923	1.9
67.03845	1.5
67.05508	71.5
69.07073	30.8
69.30298	12.2
70.06594	2.2
71.05003	1.8
71.08622	6.1
79.05497	23.3
81.07058	100.0
83.04991	2.7
83.08624	21.7
85.06513	4.0
85.10204	2.6
85.92577	1.5
90.48042	1.4
90.67661	1.2
91.05470	21.0
93.06484	2.0
93.07043	28.8
95.04999	1.6
95.08611	79.7
97.06538	8.8
97.10166	17.4
98.20756	1.6
99.08062	4.0
99.40567	1.3
105.07043	13.3
106.27218	1.4
107.08596	20.9
109.10162	45.4
111.08092	6.1
111.11721	5.2
113.09589	2.1
117.07021	1.8
119.08588	14.3
121.10149	27.9
123.08140	1.7
123.11710	25.1
125.09608	2.1
133.10146	15.5
135.11691	13.7
136.04848	1.5
137.09593	2.0
137.13211	8.7
139.11209	1.9
141.12721	3.1
147.11702	11.4
149.13283	11.3
151.14830	8.2
155.14320	1.5
161.13260	14.3
163.14828	10.4
165.12746	1.4
165.16380	5.9
175.14845	10.9
177.16377	2.4
179.17949	6.0
181.15839	1.4
189.16402	4.4
217.19650	1.5
245.22673	44.3
246.22778	1.7
247.24271	2.9
263.23718	49.4
278.31528	1.3
281.24692	1.9
285.00452	1.5
337.27362	26.7
355.28122	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77522	1.1
52.03910	1.2
52.84240	1.1
55.05502	3.7
56.05020	1.8
57.03432	4.9
59.04989	2.9
60.04517	1.7
61.02916	2.1
67.05496	1.3
68.90689	1.3
69.03431	3.0
69.07059	1.9
70.06599	21.6
70.26360	2.8
70.26727	2.7
71.04993	4.4
71.08635	53.4
72.08163	15.1
73.27940	1.2
79.05470	2.6
81.07050	11.9
83.06106	1.9
84.04499	5.9
84.08147	18.3
85.02899	12.0
85.06541	3.0
85.08463	1.6
86.09708	29.4
91.05463	2.8
96.04508	1.4
97.02882	5.7
98.09702	3.4
99.08095	21.4
105.06977	1.8
109.02910	1.5
109.06526	18.7
110.06027	1.3
110.07162	3.8
114.05533	1.2
115.07571	1.8
117.09137	65.8
117.23787	1.3
119.04940	1.7
120.08105	6.4
123.08067	1.5
127.03938	2.1
127.07559	3.0
129.10222	10.6
130.04968	1.7
132.10211	6.3
134.04671	1.2
138.09091	1.3
141.09109	100.0
145.04993	2.0
145.08620	2.6
147.04359	3.8
159.10165	12.9
168.10214	2.6
173.03314	1.4
177.11243	48.1
187.11113	1.4
197.12852	1.8
203.10544	1.6
204.13821	1.6
216.13445	1.3
225.12424	1.3
243.13693	1.4
338.26208	1.5
356.13034	1.4
356.20309	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	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05505	24.9
57.03450	7.5
57.07085	15.1
61.18439	3.4
67.05512	70.4
69.07071	37.1
70.76907	7.2
79.05511	23.9
81.07063	100.0
83.08624	23.8
85.06527	4.8
91.05478	18.8
93.07052	27.0
95.08615	79.3
97.06528	10.3
97.10214	16.8
105.07061	15.0
106.03248	3.2
107.08616	16.3
109.10174	42.3
111.08087	5.4
111.11737	5.8
117.07084	3.2
117.23541	2.9
119.08591	16.9
121.10139	29.4
123.11713	18.0
133.10118	17.5
133.70514	3.6
135.11708	17.7
137.13269	7.6
139.11246	4.8
141.12691	3.7
147.11703	10.6
149.13261	14.2
151.14832	7.4
161.13306	14.9
163.14845	10.8
165.16432	10.8
166.41898	3.2
169.15836	3.0
175.14879	13.8
177.16310	3.5
179.17940	6.8
189.16376	6.0
204.90309	3.5
234.57365	3.3
245.22662	50.7
248.27159	3.6
263.23694	64.5
293.29135	3.3
337.27399	39.6
338.02328	3.9
355.28320	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
52.05701	1.3
52.33210	1.2
53.03933	3.0
55.01866	3.1
55.05514	30.7
56.46407	1.3
57.03439	7.7
57.07082	11.9
61.02152	1.1
67.05505	83.7
68.05830	1.2
69.07069	37.0
71.04971	3.1
71.08631	7.0
72.88726	1.1
79.05077	1.9
79.05492	25.1
81.07056	100.0
83.04977	1.7
83.08160	1.9
83.08620	28.5
85.06535	3.0
85.10181	3.0
91.04945	1.0
91.05467	20.5
91.77238	1.2
93.07046	31.5
95.08608	81.5
97.06525	10.9
97.10166	20.2
99.08083	3.3
105.07039	14.4
107.08597	21.5
109.10161	42.6
111.08082	4.2
111.11748	7.8
112.28448	1.2
113.09650	2.2
119.08580	14.7
120.76810	1.4
121.10138	30.0
123.08073	2.1
123.11701	25.0
125.09673	3.0
125.13283	2.2
127.11195	1.7
129.05516	1.9
133.10143	19.1
135.11699	15.0
136.60657	1.2
137.09602	2.4
137.13261	8.7
141.12714	2.6
147.11719	11.9
149.13251	13.1
151.11192	2.2
151.14792	5.6
155.14319	2.3
161.13268	17.1
163.14815	15.4
165.12764	1.7
165.16373	7.7
175.14806	11.9
177.16330	2.9
179.14258	2.0
179.17920	5.8
181.15790	2.6
189.16438	5.9
193.15860	2.0
203.17934	1.4
207.17532	1.9
221.44865	1.4
221.86443	1.4
229.00879	1.2
245.22658	51.3
246.59761	1.5
263.23709	59.3
265.25159	1.5
281.24670	2.4
281.73608	1.3
337.27374	39.0
355.28687	7.9
355.33835	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
52.17070	1.1
52.36802	1.0
53.03937	2.4
54.71387	1.0
55.05513	27.3
57.03437	8.8
57.07079	11.2
57.86008	1.0
65.22250	0.9
67.05508	77.7
69.07072	33.5
69.77730	4.7
71.04980	2.4
71.08649	7.0
72.08161	5.4
79.05495	21.7
81.07059	100.0
83.04974	2.7
83.08154	1.7
83.08624	25.7
85.06551	2.4
85.10175	3.0
91.05482	20.7
93.07047	33.2
95.04976	1.6
95.08612	78.7
96.97102	1.0
97.06531	8.8
97.10178	16.2
98.20839	1.4
99.08102	4.0
103.03957	1.8
105.07041	12.8
107.08601	21.7
109.06505	1.7
109.10163	41.6
111.08093	4.5
111.11715	5.6
113.09650	3.3
115.07616	1.1
119.08585	14.3
121.09326	2.1
121.10157	27.8
123.11707	20.5
125.09627	1.9
125.13303	2.3
127.11189	1.8
129.05420	1.7
131.08615	1.2
133.10143	15.6
135.11691	16.2
137.09584	1.4
137.13242	9.6
139.11162	3.0
139.14784	1.1
141.12740	2.4
147.11703	11.2
149.13258	14.0
151.11188	3.2
151.14822	6.7
153.12688	1.2
155.14319	2.8
161.13260	14.5
163.14850	12.5
165.12744	1.8
165.16374	7.1
167.14273	2.4
175.14842	9.5
177.16460	1.3
179.17976	6.0
189.16418	5.0
190.73064	1.4
207.17441	1.4
215.50278	1.3
217.19600	1.5
245.22667	53.6
246.22975	1.3
247.24167	1.8
263.23700	61.0
264.23853	1.3
265.25345	2.0
337.27393	40.5
338.34177	4.1
338.90228	1.3
355.28500	7.2
355.36868	4.2
356.35361	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
53.06749	1.4
55.01853	1.7
55.03075	1.4
55.05278	1.8
55.05515	27.0
57.03423	6.0
57.07078	13.2
59.09701	1.4
65.03921	2.4
65.18702	1.7
67.05510	87.6
69.07072	35.3
69.81117	6.6
70.06560	1.5
71.04978	1.5
71.08633	8.4
72.08126	2.5
79.05499	28.8
81.07059	100.0
83.04981	2.7
83.08624	25.0
85.06515	5.5
85.10163	4.7
91.05471	17.2
93.07043	30.3
95.04932	2.6
95.08612	86.6
97.06518	7.6
97.10161	18.8
99.08070	5.1
105.07050	14.9
107.08604	21.0
109.06509	2.2
109.10159	49.0
111.08125	3.6
111.11691	6.5
113.09621	3.2
119.08579	15.0
121.10152	32.2
121.11021	1.6
123.08053	1.7
123.11723	29.8
124.71960	1.4
125.09621	2.6
125.13273	2.3
129.05421	1.7
131.08571	2.0
133.10149	22.8
135.11690	15.3
137.09634	1.8
137.13261	12.2
139.11148	2.4
141.12769	3.6
147.11702	16.8
149.13274	15.8
151.14859	9.4
151.47331	1.5
155.14253	2.6
161.13249	16.1
163.14828	16.1
165.12694	2.4
165.16408	8.9
168.34326	1.4
175.14806	10.1
177.16359	3.3
179.14275	3.2
179.17946	6.6
181.15875	1.5
189.16368	4.2
193.15836	2.1
203.18056	3.3
241.00417	1.7
245.22667	62.2
263.23706	66.6
265.25244	3.1
337.27383	39.1
355.28610	8.1
356.35178	9.4
372.38217	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	355.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93620	0.5
53.03948	0.7
55.05517	1.2
67.05518	2.3
67.81507	0.6
69.03413	0.5
70.06598	0.6
70.95157	1.5
82.06596	4.9
89.06968	0.5
96.04501	0.6
98.06048	0.9
105.29827	0.5
108.27522	0.6
110.06049	17.2
122.06034	1.4
126.05517	8.7
128.07097	1.3
130.55403	0.6
134.09476	0.6
136.07582	57.0
138.05524	2.2
140.07080	0.7
152.07068	2.5
156.06575	0.9
164.07074	100.0
165.07391	0.7
166.04997	0.6
180.26939	0.5
182.08134	92.9
183.08484	0.8
192.59514	0.6
198.09196	1.4
228.10332	0.7
230.08156	1.1
250.48375	0.5
259.10782	1.7
260.09219	0.7
262.72202	0.6
276.12021	0.6
301.11893	1.3
302.10162	2.5
319.12897	5.7
320.11273	1.6
337.13910	3.3
355.15045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
55.01871	6.0
55.05516	14.3
56.05041	10.6
57.03416	4.9
57.07079	4.0
59.05002	4.4
59.91672	2.1
60.04527	5.3
60.05629	2.4
67.05243	2.0
67.05515	24.9
68.05034	2.9
69.03433	16.3
69.07067	21.7
70.02950	6.8
70.06598	55.7
71.04993	5.3
71.52171	2.7
72.08167	18.2
73.02922	2.5
73.04755	2.1
74.03716	1.9
74.06067	3.4
79.05485	8.3
81.03415	6.4
81.07068	22.0
83.04982	23.6
83.06100	5.0
83.08619	2.4
84.04511	13.0
84.08153	41.9
85.02914	17.1
85.08479	2.5
86.09715	72.1
87.10026	3.5
88.03998	22.1
91.05460	15.4
93.04533	2.5
93.07066	13.3
95.01320	3.7
95.04988	27.2
95.08611	40.3
96.04496	4.3
97.02895	6.0
97.04028	3.9
97.06547	4.9
98.06047	8.9
98.09702	5.2
99.04438	6.2
103.05455	3.5
105.07062	10.5
107.04978	4.7
107.08615	20.1
108.08080	2.4
109.02877	3.5
109.06518	11.8
109.10166	29.8
110.07183	39.0
111.04433	2.6
111.08121	2.3
112.08694	3.0
113.05933	2.2
115.03876	2.7
116.07111	2.8
117.03408	3.7
117.07014	2.6
119.04963	4.5
119.08626	13.0
120.08121	16.7
121.02859	3.6
121.06542	5.5
121.10148	9.0
122.06049	2.2
123.08072	7.0
123.11688	3.8
127.03925	6.0
127.12344	2.2
129.10255	15.0
130.05013	4.8
130.06519	2.6
130.08682	2.7
131.08545	3.9
133.10168	11.5
134.05936	3.2
135.08089	17.1
135.11671	13.1
136.06186	2.9
136.07579	12.8
137.05965	6.2
137.09636	66.4
140.14334	2.9
141.10271	2.5
143.04535	3.4
143.08492	3.4
143.11784	5.0
145.02882	8.5
145.10135	6.8
147.07924	2.3
149.05991	4.7
149.09668	3.8
155.10692	3.9
156.07690	35.7
156.12866	2.3
157.09981	2.6
159.07834	2.7
159.11610	2.3
161.09625	3.6
163.11169	2.5
164.07071	2.5
165.09135	2.4
171.11603	3.5
173.09622	2.6
173.13174	4.6
175.07617	2.5
175.14896	10.7
177.05511	18.1
177.09064	3.4
179.10703	14.2
182.08264	3.0
185.05623	13.6
190.05310	4.8
191.14421	3.8
193.15909	31.8
197.13045	2.5
201.09140	4.1
201.12508	4.4
203.05104	4.0
203.06734	6.6
204.06572	3.4
209.15398	5.1
217.15985	3.9
229.15872	2.7
231.06213	6.4
235.11902	17.6
235.16933	13.9
237.16631	2.4
238.11765	3.4
242.15115	3.7
245.11719	2.7
253.12985	22.9
259.17145	2.3
301.18051	4.6
319.19437	2.9
337.07043	4.6
337.20300	5.0
338.15756	2.7
338.19717	4.1
353.47205	2.4
355.08154	5.2
355.17294	100.0
355.21234	10.8
366.21445	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	355.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10469	0.4
53.03959	0.5
53.49191	0.4
55.05507	0.8
57.77006	0.4
67.05508	2.9
70.00529	0.8
70.00914	1.2
70.06607	1.5
77.03934	0.7
82.06586	5.6
84.08154	1.4
85.02921	0.8
91.05515	0.8
93.07057	0.7
94.06597	0.7
95.04990	0.5
96.04510	1.0
98.06064	1.3
106.02499	0.5
108.08139	0.7
110.06050	18.3
122.06060	1.9
126.05532	7.4
128.07101	2.0
136.07590	50.4
138.05495	3.1
140.07072	1.3
146.92885	0.4
150.05495	0.5
152.07140	2.1
156.06621	0.5
162.05452	0.5
164.07077	100.0
165.07475	0.7
166.05058	0.7
180.06490	0.4
181.08630	0.5
182.08139	94.4
183.08510	0.8
184.06133	1.0
204.08012	0.4
230.08015	0.7
240.08253	0.5
246.84929	0.4
256.09647	0.8
259.10706	1.2
274.10611	0.7
277.70892	0.4
300.33133	0.4
301.11810	1.1
302.10068	1.6
319.12820	3.3
320.11401	1.2
337.13937	1.8
338.11987	0.5
355.14835	2.0
355.18692	0.6
373.83020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07923	8.3
55.05491	8.4
61.63065	8.9
67.05495	26.3
69.07062	15.7
69.89703	19.3
69.90121	25.3
70.06577	11.9
74.76793	8.2
79.05495	12.2
81.07052	21.9
83.08630	8.8
88.07665	18.1
88.99174	8.2
90.37072	9.6
93.07077	11.4
95.08604	10.6
98.21464	11.6
105.07016	13.1
106.08653	13.8
107.08573	8.9
109.10125	15.1
111.47978	8.6
112.49155	9.4
210.31540	8.3
262.22446	8.8
310.73642	8.0
354.25250	16.7
354.33682	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2641
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
50.13029	2.2
54.68448	2.9
55.05503	11.1
56.05036	3.0
57.03428	9.3
59.71565	2.5
62.06094	100.0
67.05515	19.2
69.03429	4.2
69.07078	13.3
70.06583	9.4
71.04980	7.3
71.12151	3.5
72.08139	2.9
79.05495	15.9
81.03388	4.3
81.07056	22.0
82.06573	3.3
83.04990	3.5
83.08620	4.9
84.08139	19.2
86.09702	5.1
91.05474	12.9
93.07056	29.8
95.04956	3.2
95.08621	20.9
96.08110	3.8
97.06534	3.2
97.10146	5.4
98.06051	6.1
99.04478	2.8
105.07012	12.7
107.08612	13.8
109.06520	3.3
109.10129	7.9
110.06100	3.9
110.07150	3.6
111.08076	4.0
117.07022	6.5
119.08610	13.3
120.08093	3.4
121.06522	8.1
121.10123	10.8
123.04448	4.4
123.08057	4.0
125.09687	3.3
129.10269	3.9
131.08539	8.1
133.10133	6.1
135.07985	2.8
135.11682	4.8
137.09625	3.2
138.12785	8.6
142.01100	2.9
145.10123	9.9
147.11687	4.6
149.09532	3.8
151.11186	2.8
155.35013	2.7
171.11613	4.6
196.13289	4.4
210.14905	15.6
226.17828	3.7
228.15926	17.3
266.21161	7.7
275.20074	11.8
280.19083	5.4
280.22385	3.2
283.68573	3.1
294.24298	3.0
318.24393	13.5
336.25330	99.8
337.23795	5.7
353.02106	2.7
354.19489	4.4
354.22833	7.8
354.26556	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.7
55.05519	18.0
58.06596	3.6
67.05515	22.6
69.03446	4.9
69.07059	15.6
70.06592	12.1
71.05000	5.2
71.52121	5.2
72.08147	4.4
79.05492	24.5
81.03383	5.8
81.07055	33.3
83.04977	3.5
83.08604	10.4
84.08144	25.6
86.09716	5.9
91.05482	28.7
93.07049	28.3
95.04964	5.6
95.08607	22.1
97.06542	8.0
97.10200	6.3
99.04437	3.6
105.07032	29.2
107.04960	6.8
107.08622	18.8
109.06455	8.2
109.10161	8.2
110.07159	4.8
117.07055	18.2
119.08566	17.5
120.08068	4.6
121.06548	7.6
121.10124	6.5
123.08076	8.5
125.09585	8.4
127.03916	5.3
127.17735	3.8
128.06192	5.7
129.06984	9.2
131.08574	55.7
133.10126	13.8
135.11665	4.8
139.11206	6.7
143.08575	41.5
145.10117	59.4
147.07994	4.2
147.11580	7.7
157.10107	14.5
159.11673	10.3
161.09602	6.9
163.11055	5.0
167.34315	3.5
169.10115	8.4
171.11681	13.8
181.10042	4.3
183.11644	3.8
185.09740	4.3
185.13222	5.4
195.11688	7.6
227.17934	6.4
237.16360	17.9
246.11250	6.7
255.17419	17.2
263.19864	3.9
273.18469	73.5
291.19537	100.0
309.62836	3.9
354.15298	6.9
354.19656	9.3
354.23560	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	354.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
55.05501	3.2
56.05039	12.5
57.03428	2.6
57.98503	1.0
58.06609	5.4
60.04528	28.7
60.05640	3.1
61.02910	1.4
61.44764	1.1
62.14098	1.0
65.03915	1.1
68.05016	3.4
69.03426	4.2
69.07056	3.7
69.83743	4.6
70.02955	1.9
70.06594	35.2
71.05005	1.6
72.04491	2.6
72.08160	14.4
73.06558	5.5
73.08495	1.3
74.06084	42.0
79.05501	2.0
80.04964	1.4
81.03430	1.4
81.07047	1.1
83.04987	1.5
84.04064	1.1
84.04517	16.0
84.08150	35.0
85.02913	11.3
85.08477	1.8
86.06071	1.6
86.09708	21.1
88.07626	3.1
88.09666	1.2
91.05490	6.3
95.04954	1.5
97.02885	4.5
97.07597	1.3
98.05425	2.4
98.06058	35.7
98.09724	2.4
98.20753	1.4
98.97590	4.1
99.04497	1.5
99.05580	1.8
101.07151	2.4
102.05531	2.1
103.05460	3.5
105.07042	1.8
109.02899	2.2
110.07160	4.6
110.97526	1.3
112.08698	3.1
113.07137	1.7
114.05521	1.8
115.08700	2.3
116.07100	100.0
116.98605	1.4
118.06447	1.1
119.04922	3.4
120.08111	76.0
121.06504	6.1
122.06826	3.8
126.05521	2.8
127.03907	3.4
127.08659	2.0
128.10699	1.7
129.01797	1.7
129.09370	1.7
129.10252	21.9
130.04987	5.7
130.10582	1.5
131.04988	1.5
134.06088	1.3
136.06206	1.1
136.07591	4.6
137.05969	1.7
143.08176	31.1
145.04964	3.5
146.06096	1.7
146.09621	1.1
147.04402	5.8
147.07729	1.7
149.05980	1.4
155.11838	1.3
158.09598	3.2
158.99661	1.7
161.09218	46.5
164.07082	1.7
166.08658	42.5
166.93289	1.1
171.07681	3.2
172.07634	1.0
173.12889	11.0
175.12154	1.0
178.05925	1.3
185.16527	2.2
186.09143	3.3
189.08723	66.2
192.10187	1.9
200.07001	1.2
201.12257	1.8
205.10538	3.1
214.08553	1.5
219.01747	3.7
223.09102	4.6
223.57071	2.7
226.15575	1.6
232.57567	3.5
237.02855	2.8
249.12512	1.2
256.09372	1.1
267.13449	7.8
276.08472	1.3
277.11868	3.6
290.10294	1.1
297.14432	1.3
300.07764	1.8
306.14264	2.2
318.08615	2.0
318.14352	2.5
322.09351	2.7
336.10834	4.5
336.15506	15.1
354.11826	21.6
354.16959	8.7
354.21091	6.8
373.70432	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1548
Annotation	AB 3217A
Peak:m/z	Relative Intensity
53.03951	0.7
55.01878	0.5
55.05526	0.8
61.02936	0.8
61.07741	0.5
67.05499	2.4
69.07074	0.8
69.98230	2.0
77.03976	0.5
79.05506	3.2
81.07053	2.3
84.08162	0.8
85.05304	1.9
91.05508	1.9
93.07037	3.7
94.06567	2.3
95.01371	0.6
95.04980	1.1
95.08607	8.7
95.09162	0.5
104.05019	0.6
105.03429	0.8
105.07054	2.0
107.08594	2.6
108.08122	0.6
109.05287	1.4
109.06552	0.5
112.03995	0.7
117.07052	0.8
119.04965	0.6
119.08576	3.1
119.57973	0.4
121.10169	2.1
122.06033	27.2
123.04484	0.6
123.06852	0.6
124.03996	1.2
124.53468	0.6
128.64070	0.5
131.08607	0.5
132.04471	1.8
133.06519	1.1
133.10156	1.7
134.06042	0.8
134.10927	1.3
135.11696	6.2
136.03952	0.6
136.07605	3.1
137.77281	0.6
138.05492	0.8
143.08562	0.5
145.10185	0.4
147.08075	1.8
150.05521	1.3
150.09155	2.8
151.09947	0.7
152.03465	3.4
160.03954	7.2
161.09608	1.3
162.05492	0.6
162.09169	0.5
162.10449	1.2
164.03508	0.7
164.10712	10.4
166.05051	0.7
174.05551	1.0
176.03447	0.5
178.04985	8.2
178.12279	1.0
179.05785	0.5
179.13062	14.8
180.06662	0.8
188.03430	20.5
190.05048	1.0
191.05762	3.8
192.06592	0.9
204.06635	1.2
206.11807	0.8
212.10733	0.6
220.13298	3.7
229.65327	0.5
230.11688	0.8
248.12830	44.3
249.13248	0.8
258.11267	6.9
266.13879	3.2
274.14426	2.1
276.12326	17.4
284.07742	0.6
290.13879	0.8
292.15262	0.7
294.13348	10.4
336.14420	63.1
337.14893	1.2
354.15472	100.0
355.15726	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74777	0.9
53.03943	2.8
55.05515	12.1
57.03430	3.7
57.07058	4.3
65.03928	3.0
67.05505	79.8
69.03440	1.0
69.07065	12.3
69.28815	8.9
71.04981	3.3
71.08633	1.7
73.27099	1.0
75.04488	1.4
77.03915	1.0
79.05492	38.5
81.07054	80.0
83.04964	2.2
83.08611	6.5
85.06549	2.5
88.09732	1.0
91.05485	21.4
93.07045	52.6
95.04969	3.0
95.08609	68.4
97.06512	3.4
97.10163	3.5
98.20786	1.8
99.08068	2.2
102.89411	0.9
105.07028	15.0
105.55593	1.0
107.08595	34.3
109.06515	1.9
109.10159	34.0
111.08086	2.2
113.09689	1.9
117.07013	9.7
119.08575	14.8
121.10139	31.9
123.08036	1.5
123.11710	20.6
125.09560	2.0
131.08565	18.9
133.10136	12.7
135.11700	27.9
137.13245	8.2
139.11215	2.0
145.10126	14.5
147.11711	9.6
149.13260	19.1
151.14767	3.1
153.12732	1.9
159.11705	13.9
161.13251	9.0
163.11249	1.3
163.14810	13.8
165.12796	1.4
171.11697	1.2
173.13277	15.0
175.14848	5.4
177.16389	4.1
179.14261	2.0
187.14803	10.0
189.16391	1.6
191.14255	2.1
201.11104	1.3
201.16367	3.5
205.15875	1.4
215.18117	1.5
219.17525	1.8
233.22690	4.5
243.21100	25.4
261.22141	100.0
263.23700	2.5
279.23114	5.0
335.25824	10.7
353.26883	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
54.85168	0.6
55.05272	0.8
55.05519	10.4
57.03446	4.5
57.07084	4.3
64.57793	0.6
64.82471	0.5
65.03954	1.8
67.05510	74.9
68.05830	0.6
69.07075	10.4
70.01791	2.0
71.04996	2.1
71.08636	1.6
75.04497	1.0
77.03925	0.9
79.05498	40.4
81.07063	83.1
83.04998	1.3
83.08617	5.7
85.06552	1.9
91.05485	18.4
93.07049	49.5
95.04962	2.0
95.08615	59.8
97.06553	3.0
97.10177	2.9
99.08106	2.3
105.04552	1.2
105.07041	15.8
105.07625	0.6
107.08602	31.6
109.06543	1.0
109.10162	33.6
111.08095	1.6
111.11691	0.8
113.09683	1.4
117.07030	9.0
119.08585	13.3
119.09371	1.0
121.10153	29.3
123.08055	2.2
123.11710	15.4
129.07066	0.7
130.91875	0.7
131.08580	19.4
133.10138	11.8
135.11702	26.5
137.09598	1.2
137.13274	6.9
139.11162	1.4
145.10127	12.8
147.11691	9.6
149.09698	0.7
149.13260	18.0
149.14395	1.3
151.11192	1.5
151.14803	2.7
153.12785	1.0
159.11708	14.2
161.13283	9.0
163.11237	0.7
163.14828	12.0
165.12750	0.8
173.13280	14.3
175.14833	2.5
177.12779	1.0
177.16412	4.3
179.14282	1.4
187.14847	7.8
201.16403	2.4
205.15857	2.1
215.17932	0.8
219.17410	1.6
223.16980	0.7
233.19022	0.7
233.22575	4.2
243.21106	26.5
261.22159	100.0
262.22522	0.8
263.23618	0.8
277.45959	0.6
279.23224	3.3
317.24762	0.9
335.25851	9.6
353.26889	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03924	1.8
55.05506	14.7
57.03438	5.6
57.07066	4.9
62.74215	0.9
65.03931	2.8
67.05505	95.3
69.07070	13.7
70.09470	2.1
70.09890	2.9
71.04980	2.9
71.08611	1.7
75.04478	1.7
77.03954	1.0
79.05492	41.0
79.98590	0.8
81.07054	100.0
83.04972	1.2
83.08617	9.2
85.06531	2.2
91.05475	19.7
93.07042	60.3
93.58468	1.0
95.04948	1.4
95.08606	87.8
97.06517	3.6
97.10156	3.2
99.08083	2.6
105.07024	15.5
107.08592	40.0
109.10159	40.1
111.08052	2.1
117.07011	7.7
119.08585	15.9
121.06509	2.4
121.10143	35.1
123.08054	1.7
123.11713	21.3
125.09598	1.5
131.08565	23.0
133.10135	14.3
135.10696	2.0
135.11691	28.5
137.09613	2.2
137.13272	7.9
139.11197	1.8
145.10117	14.0
147.11707	10.3
149.09673	1.3
149.13255	21.2
151.11156	1.5
151.14867	2.3
153.12735	1.2
159.11697	16.0
161.13248	9.9
163.11241	1.6
163.14816	14.3
165.12773	2.1
173.13258	15.8
175.14836	3.9
177.16399	5.4
179.14287	2.7
187.14815	11.7
191.14268	2.0
199.13252	1.2
201.16335	2.8
205.15910	2.1
215.17982	1.4
215.25929	1.0
219.17509	1.2
233.22694	4.7
243.21106	28.9
261.22144	97.7
262.22504	2.0
263.23465	1.2
272.09866	0.9
279.23190	7.4
308.13535	0.9
335.25793	18.7
353.26877	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.73790	1.4
52.82086	1.7
55.05510	10.8
57.03435	4.0
57.07061	6.2
65.03928	3.3
67.05510	80.6
69.07074	11.2
70.55978	2.1
70.56328	5.1
71.04990	2.0
71.08614	4.2
75.26787	1.6
79.05496	53.0
79.84148	1.6
81.07061	85.8
83.08626	8.6
85.06561	4.2
91.05486	24.4
93.07053	67.2
95.08614	59.1
96.23579	1.8
97.06496	3.8
97.10145	3.6
99.08096	6.1
105.07040	20.3
107.07874	2.8
107.08600	38.7
109.06456	1.9
109.10171	23.6
112.68516	1.7
113.09640	2.7
117.07025	10.9
119.08611	12.1
121.06519	2.6
121.10143	32.7
123.08019	2.7
123.11705	12.2
123.57286	1.8
131.08583	25.4
133.10143	12.9
135.07996	2.1
135.11707	25.4
137.13261	7.9
145.10138	15.2
147.11687	10.5
149.13263	20.5
151.14856	2.9
157.10109	2.2
159.11708	10.8
161.13281	11.8
163.11214	2.0
163.13570	2.9
163.14824	19.7
171.11707	2.1
173.13254	18.6
175.14847	4.0
177.16380	4.8
179.14394	2.3
187.14886	10.6
201.16423	1.7
205.15941	2.1
233.22656	7.3
243.21104	31.1
261.22156	100.0
279.23212	2.4
317.24695	1.6
332.15649	2.9
332.65460	2.1
335.25854	5.8
353.26566	11.1
354.33804	3.6
357.24350	2.3
359.44058	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	2.8
54.15919	1.0
55.05513	13.9
57.03443	6.4
57.07069	3.1
65.03937	2.6
67.05509	96.1
69.07070	14.8
69.83645	5.5
71.05012	1.5
71.08633	1.2
75.04491	2.7
79.05500	42.0
81.07063	100.0
83.04965	1.3
83.08621	7.1
85.06539	2.6
91.05485	20.3
93.07049	64.4
95.04949	1.5
95.08616	75.3
97.06530	3.1
97.10173	4.9
99.08113	2.6
105.07038	16.8
107.08602	31.3
109.06501	1.5
109.10162	39.7
111.11762	1.4
117.07027	9.1
119.08588	16.4
121.10149	37.1
123.08039	2.7
123.11712	19.2
126.15289	1.1
131.08568	21.9
133.10130	12.4
135.10698	1.9
135.11702	29.3
137.13243	8.5
139.11244	1.9
145.10149	15.9
147.11690	11.1
149.09593	1.3
149.13266	18.8
151.11188	1.4
151.14780	2.6
153.12712	2.1
159.11703	14.4
161.13263	10.4
163.14836	14.6
165.12740	1.9
165.16458	1.7
173.13281	18.0
175.14775	3.9
177.16382	3.9
187.14879	7.2
189.16429	1.4
191.14311	1.3
201.16396	2.9
214.77193	1.3
215.18027	2.2
219.17468	1.5
226.37985	1.2
233.22655	3.6
243.21095	28.7
243.23401	2.3
261.22156	95.8
263.23755	1.7
276.98175	1.2
279.23141	6.5
310.55566	1.1
317.24744	1.5
335.25842	17.8
353.26880	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05516	10.7
57.03438	3.8
57.07076	5.3
65.03916	2.5
67.05506	96.1
69.07082	12.8
69.07370	2.2
71.04990	2.9
74.86761	2.1
74.88094	2.2
79.05493	39.7
81.07060	98.5
82.61813	1.9
83.08606	8.9
84.73222	2.3
91.05503	12.5
93.07038	47.5
95.08610	69.9
96.82907	2.1
97.06504	4.5
97.10172	3.7
105.07017	14.8
106.21408	2.3
107.08601	36.4
109.10145	37.3
117.07030	8.6
119.08559	11.2
121.10154	35.9
123.11700	23.0
131.08557	15.4
133.10181	13.1
135.11682	24.2
137.13266	6.7
145.10104	13.8
147.11668	12.0
149.13286	17.6
151.14795	3.3
159.11670	13.2
161.13287	10.1
163.14824	14.0
169.72626	2.3
173.13249	12.5
175.14841	3.1
177.16418	4.2
179.14368	2.6
187.14827	10.1
233.22636	6.6
243.21120	26.6
252.05774	2.3
256.09686	2.4
261.22134	100.0
279.23178	6.2
327.14264	2.8
335.25739	17.4
353.26904	34.5
373.96313	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.3
53.03941	3.3
55.05509	12.4
57.03432	3.1
57.07068	5.6
63.65823	1.2
65.03941	2.9
67.05503	74.0
69.07066	12.5
70.55544	2.6
71.05000	1.8
75.04472	2.1
79.05074	2.9
79.05498	39.1
81.07057	76.3
83.08613	7.1
85.06538	2.9
91.05486	19.1
92.02141	1.5
93.07045	53.9
95.05004	1.8
95.08605	60.6
97.06518	2.8
97.10168	4.4
102.87260	1.8
105.07023	15.2
107.08598	33.1
109.10162	32.4
117.07005	8.3
119.08581	14.0
121.10140	30.4
123.11703	18.7
129.07011	1.6
131.08575	22.1
133.10120	13.8
135.11700	26.5
137.09593	2.1
137.13263	5.5
145.10107	14.3
147.11700	10.1
149.13257	20.9
151.14850	2.4
159.11673	11.9
161.13297	8.9
163.14810	13.9
165.12738	2.5
173.13266	14.9
175.14865	3.0
177.16412	3.3
187.14897	7.0
191.14470	1.9
198.26111	1.4
201.16379	3.2
205.15938	2.3
233.22571	4.5
243.21126	26.8
248.29112	1.5
261.22144	100.0
279.23193	3.5
317.24722	2.0
335.25864	8.6
353.26868	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	3.2
55.01878	1.5
55.05515	16.3
57.03436	5.9
57.07064	3.3
58.06606	1.4
65.03931	4.5
67.05510	92.5
69.06798	1.3
69.07077	13.1
69.85313	6.0
71.04983	4.1
71.08656	2.2
73.08364	1.3
79.05497	37.6
79.35723	1.4
81.07061	98.5
83.04961	1.9
83.08616	8.5
85.06551	3.9
91.04960	2.4
91.05486	19.9
93.07046	49.7
95.04958	5.7
95.08614	80.5
97.06519	3.5
97.10155	3.7
98.20773	1.8
99.08086	4.1
105.06401	1.8
105.07043	20.6
107.08600	38.9
109.06547	3.3
109.10160	41.9
111.08097	3.6
113.09665	1.7
117.07018	9.0
119.08588	17.0
121.06467	2.3
121.09335	2.3
121.10149	32.1
123.08084	2.3
123.11715	21.9
125.09668	1.6
125.56946	1.4
129.05556	1.5
129.36707	1.4
131.08571	18.1
133.10135	15.9
134.10396	1.5
135.08047	1.8
135.11696	26.8
137.09599	2.4
137.13263	7.8
141.07074	1.7
143.08562	2.5
145.10127	18.0
147.11716	12.6
149.09645	1.5
149.13271	19.9
151.11269	2.0
151.14816	1.6
153.12703	2.8
157.05028	1.9
157.10141	4.2
159.11684	16.3
159.21478	1.7
161.13263	9.4
163.11179	1.9
163.14864	11.5
171.11760	1.6
173.13277	19.2
175.14777	3.3
177.16350	5.0
179.14328	1.4
187.14882	10.0
191.14499	2.1
195.11633	1.5
197.13333	2.2
201.16379	2.4
205.15930	1.6
219.17398	2.1
233.22597	3.9
243.21088	30.4
261.22156	100.0
263.23566	1.6
279.19006	1.5
279.23215	6.7
317.24875	1.9
335.25983	18.8
353.27240	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	3.5
53.03945	4.3
55.05513	8.7
57.94418	3.8
67.05504	21.3
69.03407	5.0
69.07066	17.2
70.06564	6.3
70.73082	9.6
71.04999	20.3
79.05485	18.8
81.07058	33.8
83.08616	6.1
84.08127	8.9
85.02927	3.6
85.06544	9.1
91.05473	32.3
93.07049	33.0
95.04964	51.2
95.08599	28.0
97.06525	6.4
105.07040	45.7
107.08604	39.1
109.06521	13.0
109.10172	16.8
117.07007	15.5
119.08590	40.4
121.06495	11.3
121.10154	25.8
123.08085	10.8
123.11693	16.5
128.06213	14.5
129.06981	11.3
131.08553	32.6
133.10127	38.1
133.43205	3.5
135.08044	31.6
135.11682	26.4
137.09631	8.7
139.94312	3.5
141.06981	5.9
142.07788	10.5
143.08517	28.2
145.10117	33.2
147.08018	11.5
147.11685	14.5
149.09595	14.0
155.08551	10.5
157.10127	41.4
158.10922	4.4
159.08023	9.7
159.11710	17.6
161.09628	63.7
161.13232	8.5
163.11189	8.3
167.08609	6.3
169.10130	14.6
170.10895	5.9
171.11659	23.1
173.09630	7.9
173.13293	17.6
175.11153	7.3
175.14813	8.5
182.10878	4.4
183.11720	8.9
185.13284	14.1
187.11227	9.0
187.14809	10.9
189.12672	5.8
189.16422	7.0
191.10703	3.8
191.14326	4.9
195.11673	11.4
197.13300	16.3
199.11194	4.6
199.14835	7.2
201.12730	4.5
203.14352	6.0
207.11583	6.1
209.13242	8.1
211.14761	7.9
213.12764	12.6
215.14310	15.7
217.15787	5.4
221.13266	7.1
222.13971	4.9
223.14833	7.2
227.14261	4.1
237.16475	8.2
251.17940	6.6
252.18732	3.6
265.19565	8.5
277.19601	10.0
279.17368	5.2
293.22784	10.1
295.20557	16.2
317.22452	4.0
335.23608	25.2
353.24832	100.0
365.89935	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	353.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
56.24099	0.2
67.05507	0.7
67.47406	0.3
69.07041	0.5
70.06569	0.3
71.81651	0.3
79.05502	0.5
81.07056	1.2
84.08142	0.5
91.05442	0.4
93.07029	0.5
95.08626	0.6
97.02893	0.3
98.09648	0.3
105.07030	0.7
107.08575	0.5
109.10168	0.7
113.90520	0.3
117.07066	0.3
119.08623	0.4
121.06498	0.3
121.10175	0.3
123.08107	0.3
135.11768	0.3
159.63341	0.3
213.09792	0.4
221.12158	0.3
231.10928	0.3
241.09149	0.5
250.04724	0.3
335.25919	0.5
353.22986	100.0
354.23264	1.8
371.22681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2321
Annotation	6beta,7beta,9alpha-Trihydroxy-8,13-epoxy-labd-14-en-11-one
Peak:m/z	Relative Intensity
53.03943	5.5
55.01862	8.6
55.05515	19.7
57.03419	9.6
57.07069	8.0
59.04994	3.3
60.34496	2.9
61.02929	17.1
63.07336	2.8
65.41563	3.7
65.88730	2.7
67.05502	28.5
69.03431	38.8
69.07065	20.1
69.23934	15.4
69.24355	15.0
70.06590	4.8
71.04997	33.8
73.02929	4.7
79.05497	24.2
81.03413	12.6
81.07059	57.5
83.04973	7.9
83.08606	10.7
84.08141	4.1
85.02912	21.7
85.06469	4.4
87.04460	14.6
91.03959	12.8
91.05477	30.7
93.07043	65.7
95.04972	23.7
95.08603	49.6
97.02898	21.5
97.06523	26.7
97.10182	5.4
99.04416	6.5
105.07028	64.7
107.04942	5.9
107.08595	51.8
109.06546	15.9
109.10160	43.5
111.04430	11.2
111.08083	6.5
111.11761	3.6
113.06047	3.5
115.03923	12.0
117.07015	11.6
119.07800	5.9
119.08578	55.6
121.06482	16.7
121.10146	85.9
123.04406	10.7
123.08070	20.2
123.11716	19.5
125.05992	7.2
125.09620	19.4
127.11201	23.1
129.06946	7.1
131.08575	30.2
133.04948	8.5
133.06511	3.7
133.10129	51.3
135.08110	6.9
135.11708	29.0
137.09570	12.8
137.13214	3.9
139.07463	3.4
139.11139	7.5
141.05441	9.9
142.07721	4.4
143.08569	15.6
143.10600	4.7
145.10120	40.0
147.08052	9.4
147.11674	35.5
149.09615	8.5
149.13255	15.9
151.07445	4.9
151.11134	6.3
153.09074	4.8
153.12677	6.6
153.68242	3.3
155.08517	7.2
155.10735	3.5
156.09370	5.4
157.10115	20.6
158.10818	3.4
159.06519	11.5
159.07988	3.4
159.11682	51.3
161.09599	7.1
161.13248	14.2
163.11151	5.4
163.14865	6.5
165.09067	6.6
165.12817	5.4
167.10684	5.0
169.10132	8.4
171.11649	12.1
173.13255	14.8
175.11194	8.0
175.14815	11.6
177.09137	7.1
177.12724	14.2
177.16412	4.7
179.10600	3.6
180.09355	3.9
183.11636	12.5
185.09735	4.0
185.13284	17.1
187.09645	12.5
187.11142	4.6
187.14832	8.8
189.12862	5.3
189.16379	42.1
193.15848	6.0
195.10156	7.5
195.11755	7.9
197.13252	7.8
199.14850	6.9
201.12703	8.7
201.16383	28.6
203.17990	13.8
207.17390	7.9
211.14767	5.9
213.12827	15.6
213.16367	4.6
215.14352	3.5
219.13744	7.9
219.17436	7.2
221.19006	10.1
227.17903	8.4
229.15886	8.8
231.13800	6.9
245.18933	21.7
249.14861	4.6
261.18576	3.2
263.20084	12.3
267.15851	7.4
269.18906	6.1
281.18893	9.2
287.20062	9.0
299.20151	17.4
305.21201	6.4
317.21152	25.0
335.22266	30.7
336.70892	3.3
353.23105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08029	1.1
53.03947	12.9
55.01862	3.4
55.05502	7.2
57.03433	1.9
67.05497	10.3
69.03429	16.6
69.07072	7.9
69.67490	3.4
69.67893	4.3
71.05012	6.7
79.05495	19.0
81.03420	57.2
81.06590	2.5
81.07059	38.5
83.04968	10.2
83.08633	1.3
85.06526	3.3
91.05497	8.3
93.07050	45.6
95.04962	7.7
95.08616	7.1
97.02885	7.6
97.06540	5.6
99.04462	18.4
105.07033	26.1
107.04946	3.5
107.08598	41.5
109.02885	63.0
109.06520	7.3
109.10141	6.5
110.03673	6.3
111.04461	11.6
111.08105	3.2
113.05978	3.0
115.05484	1.8
117.07018	3.3
119.08600	11.4
121.06507	15.2
121.10139	34.2
123.04411	2.3
123.08055	2.2
124.05225	1.7
125.02366	8.3
127.03929	31.2
127.07579	1.5
130.07820	2.6
131.08572	2.3
133.06494	1.4
133.10152	3.7
135.08046	11.3
135.11678	11.2
137.05977	2.1
137.09596	4.4
139.11125	2.3
142.85979	1.5
145.06465	2.2
145.10139	23.6
147.08034	2.9
147.11688	3.3
149.05974	3.3
149.09625	11.2
151.07581	2.2
161.06053	2.6
161.09557	3.2
163.11182	56.3
165.09097	3.8
166.74716	1.5
167.10681	10.3
169.08652	3.2
173.09608	6.4
175.07565	2.3
179.10672	3.4
181.12242	11.7
185.11676	3.4
189.09128	2.2
191.07074	1.6
191.10677	39.6
207.10085	2.3
209.11748	17.5
225.11145	2.0
227.12733	8.3
238.18906	1.5
257.11841	1.5
271.13287	4.0
287.36740	1.3
289.14386	6.2
293.13910	2.4
309.16937	3.4
317.13776	2.2
335.14920	7.0
353.15942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	1.0
52.22785	1.1
53.03950	12.2
54.03346	1.1
55.01868	3.9
55.05515	9.1
57.03449	2.1
65.03909	1.2
67.05505	9.4
69.03433	16.1
69.07076	10.8
69.67291	5.0
71.04996	9.8
75.20584	1.0
79.05496	18.4
81.03419	59.7
81.07057	41.5
83.04984	10.4
84.08206	1.2
85.02905	2.2
85.06580	2.5
91.05475	12.3
93.07048	47.2
93.80297	1.0
95.04971	5.1
95.08602	7.9
97.02892	8.9
97.06541	6.2
99.04456	18.2
105.07037	28.4
107.04959	3.5
107.07442	1.2
107.08595	32.5
107.09309	1.7
109.02883	72.0
109.06532	6.8
109.10159	7.4
110.03670	8.1
111.04442	12.3
111.08089	5.3
112.50607	1.1
113.06015	1.7
117.07036	4.7
119.08583	13.3
121.06506	13.7
121.10146	32.8
123.04439	3.9
123.08088	3.7
125.02374	8.0
125.06036	2.1
126.03182	1.6
127.03927	36.8
127.07578	3.5
131.08592	4.3
133.06555	1.5
133.10188	3.1
135.08043	9.2
135.11687	10.9
137.06004	2.0
137.09647	4.7
139.07588	1.5
139.11206	1.3
145.06483	2.0
145.10133	25.7
147.08083	2.7
147.11711	4.6
148.07628	1.7
149.05994	4.8
149.07866	1.2
149.09612	10.5
151.07498	2.1
155.08611	1.3
159.08069	1.9
161.06015	2.6
161.09654	5.1
163.07588	2.4
163.11186	61.0
163.90517	1.1
165.09129	2.9
167.10678	9.7
169.08670	4.2
173.09618	5.4
175.07628	2.5
177.11559	1.8
178.11879	2.1
179.10617	1.5
181.12248	11.2
185.09758	1.2
185.11658	1.5
189.09164	2.7
191.07118	1.4
191.10681	42.0
191.12340	2.1
201.09235	1.5
207.10347	1.6
209.11737	16.1
225.11224	1.5
227.12764	9.4
239.33501	1.1
247.11612	2.2
253.12241	1.8
271.13437	3.5
277.11029	1.6
289.14423	4.2
293.13956	4.2
299.12665	2.0
309.17126	3.3
317.13876	1.9
335.13797	5.7
339.92868	1.1
353.16022	100.0
354.16077	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	353.1592
Annotation	Lambicin
Peak:m/z	Relative Intensity
53.03951	8.4
55.01868	3.6
55.05514	9.3
55.68162	0.9
57.03429	2.3
64.90205	1.0
65.03938	1.2
67.01849	1.2
67.05516	7.2
68.62131	1.1
69.03434	15.8
69.07073	7.7
70.06597	2.0
71.04998	6.8
79.05495	13.8
81.03422	51.7
81.06593	2.0
81.07059	35.0
82.04214	1.2
83.04980	6.8
84.08134	1.4
85.02885	1.7
85.06550	2.0
86.09715	1.2
91.05480	9.0
93.07049	39.8
95.04955	4.9
95.08619	8.5
97.02915	5.8
97.06538	5.5
99.04470	15.2
105.07033	28.5
107.04936	3.1
107.08601	27.3
109.02881	60.6
109.06534	6.7
109.10156	5.3
110.03698	7.3
111.04441	8.4
111.08089	4.2
113.05989	1.7
117.07014	4.0
119.06104	1.2
119.08588	11.2
121.06510	13.4
121.10146	32.2
123.04426	4.2
123.08061	2.5
124.05185	1.6
125.02379	8.5
125.06018	1.3
126.03075	1.1
127.03919	34.1
127.04820	2.2
127.07508	2.8
130.07793	1.8
131.08571	2.0
132.08186	1.0
133.10127	2.8
135.08078	7.9
135.11713	10.1
137.05994	1.3
137.09602	3.9
139.07552	2.3
139.11185	1.7
143.08566	1.4
145.10143	22.8
147.08058	2.0
147.11702	3.4
149.05988	4.0
149.09618	9.5
151.07530	1.8
155.08640	1.2
159.08025	1.6
159.20671	1.1
161.05939	1.7
161.09641	2.5
163.07561	1.7
163.11191	58.6
165.09111	2.6
167.10667	7.6
169.08597	3.7
171.08157	1.1
173.09607	7.0
175.07561	1.6
175.11162	1.3
179.10555	1.8
181.12234	10.7
185.11884	1.2
189.09198	2.3
191.07054	1.3
191.10684	35.7
201.09079	1.4
203.10663	1.4
209.11734	14.9
215.14351	1.1
227.12766	10.8
247.39503	1.0
266.94662	1.1
271.13239	4.5
277.10693	1.3
281.11789	1.2
289.14407	3.8
291.15839	1.5
293.13962	3.1
299.12750	1.3
309.16946	1.9
317.13779	3.0
335.15042	5.4
336.14059	1.1
353.15958	100.0
354.16376	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	353.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02414	0.9
53.03947	11.3
53.29111	0.9
55.01862	3.4
55.05510	7.8
55.42123	0.8
57.03431	1.6
60.43806	0.8
61.39062	0.8
65.03930	1.4
67.05506	8.3
68.75707	0.9
69.03430	15.0
69.07069	13.3
69.67619	5.7
71.04983	7.6
79.05495	16.1
81.03419	54.7
81.07056	37.0
82.04176	1.9
83.04983	7.5
83.08606	1.2
85.02902	1.9
85.06532	2.9
90.42538	1.0
91.05486	9.7
93.07046	42.0
95.04964	4.5
95.08604	6.2
97.02898	8.2
97.06502	4.5
99.04452	14.8
101.06031	1.3
105.07030	28.1
107.04939	5.3
107.08598	36.3
109.02884	66.4
109.06498	6.2
109.10170	5.7
110.03679	7.0
111.04443	10.2
111.08081	4.0
111.11730	1.3
113.05887	1.7
115.05407	1.1
117.07020	3.9
119.08582	12.0
121.06516	13.7
121.10143	30.8
123.04425	4.2
123.08041	1.8
125.02348	7.4
125.05991	2.5
126.03114	1.3
127.03918	38.6
127.07567	1.9
129.06979	1.5
130.07768	2.3
131.08551	3.9
133.06451	2.0
133.10147	2.4
135.04439	1.2
135.08057	11.8
135.11700	11.7
137.05989	1.8
137.09631	5.3
139.11165	2.9
143.08542	2.2
145.10124	24.2
147.04402	1.5
147.08005	2.0
147.11710	3.0
149.05989	3.9
149.09605	11.5
151.07561	2.2
157.35245	1.0
157.50342	1.1
159.08066	1.4
161.05974	3.2
161.09627	3.9
163.07547	2.8
163.11182	56.3
165.09122	2.9
167.10686	9.2
169.08585	4.4
169.09897	1.2
173.09644	5.0
175.07568	2.2
179.10677	1.9
181.12260	10.3
189.09128	3.3
191.07025	1.3
191.10670	40.2
201.09160	1.2
207.10100	1.8
209.11746	16.0
212.76128	1.3
215.10864	1.3
225.11133	1.2
227.12767	10.9
229.12112	1.2
271.13315	4.0
277.10651	1.2
281.11768	1.1
289.14426	3.6
291.15927	2.2
293.13907	2.8
299.12820	1.3
309.16956	5.1
314.09738	1.0
317.13654	2.8
335.14865	7.0
353.15948	100.0
354.16342	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
53.49594	0.3
55.05491	0.3
56.05040	1.8
58.79688	0.3
60.04514	0.6
60.25402	0.2
63.25222	0.3
69.07069	0.8
70.06597	7.4
70.69743	0.9
72.08160	1.0
74.06091	0.4
77.03954	0.4
84.04507	28.6
84.08141	4.1
84.61218	0.3
85.02940	0.4
85.08475	0.4
86.09719	4.0
87.10015	0.4
90.79691	0.3
91.05497	1.7
93.07050	3.4
97.38422	0.3
98.06057	0.3
98.09708	0.5
102.05552	0.5
103.05479	1.4
110.07155	0.4
112.08760	0.3
115.08709	0.4
117.03377	0.3
119.04903	0.7
120.08084	0.5
121.06509	100.0
122.06871	0.7
124.03963	1.0
126.05499	0.7
129.06578	0.3
129.10272	1.4
130.05009	17.8
133.01073	0.3
136.07600	0.4
138.09148	12.6
145.02843	0.5
147.04405	1.0
151.94333	0.3
152.03441	3.8
163.16139	0.3
170.04440	0.7
177.05513	0.9
185.07121	0.4
189.88750	0.3
198.03984	4.3
203.11763	0.9
204.10211	44.3
205.10681	0.6
221.12875	6.2
247.10831	0.7
249.12360	3.7
250.10736	1.0
263.13919	0.8
267.13464	1.4
272.09180	0.4
289.11792	0.8
290.10101	0.5
293.11310	0.8
306.09521	0.3
307.12918	8.4
317.11258	1.8
321.10709	0.4
335.08569	0.5
335.12347	4.5
353.08887	0.3
353.13391	7.9
353.17239	0.4
353.20676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.5
55.01868	3.7
55.05510	8.8
57.03434	3.0
57.07072	1.1
60.04481	0.6
61.46753	0.5
62.23354	0.5
63.17274	0.5
65.03936	1.6
67.01857	1.0
67.05174	0.9
67.05502	9.7
69.03431	20.0
69.06725	0.9
69.07071	11.2
69.81490	2.0
70.06594	4.3
71.04995	8.0
72.08152	1.6
74.06064	0.6
77.03963	0.6
78.04713	0.5
79.05497	19.9
81.03419	60.2
81.07056	40.8
82.04195	1.5
83.04982	8.4
83.08604	1.1
84.04517	0.8
84.08153	3.9
84.08925	0.6
85.02901	2.3
85.06555	3.5
86.09705	2.9
91.05476	10.7
93.07044	43.8
95.04966	7.9
95.08603	8.0
97.02893	8.5
97.06532	7.5
98.06019	1.0
98.09709	1.8
98.21414	0.7
99.04456	18.0
101.06007	1.2
103.05487	1.2
105.04518	0.6
105.06306	0.9
105.07030	26.7
107.04954	4.5
107.08600	35.6
109.02882	71.2
109.06527	6.3
109.10150	6.9
110.03677	6.8
111.04443	10.6
111.08092	4.4
113.06033	1.4
114.05525	1.9
115.05473	1.2
117.07019	4.2
119.04942	1.7
119.05981	0.6
119.08580	11.3
119.09382	1.0
120.08115	2.2
121.06510	14.9
121.07382	0.8
121.10146	35.5
123.04439	5.1
123.08084	4.3
124.05194	1.2
125.02354	9.2
125.06000	1.1
126.03185	1.6
127.03918	36.5
127.07553	3.2
129.07019	1.5
129.10254	1.3
130.07780	1.8
130.77190	0.5
131.08578	3.9
133.06479	2.0
133.10156	4.3
135.04427	1.8
135.08054	12.4
135.11685	9.3
136.06232	0.6
136.07556	0.7
137.05931	2.5
137.09634	4.5
139.07568	1.7
139.11205	1.9
140.14346	1.3
143.08572	2.5
145.06476	1.3
145.10121	27.0
147.04433	2.3
147.08066	1.9
147.11697	4.5
148.07690	0.7
149.06012	3.7
149.09624	10.6
151.07576	2.9
151.11172	0.8
153.12802	0.7
155.08527	1.5
155.10748	0.6
157.10089	1.3
159.08067	1.5
161.05977	2.8
161.09569	4.0
162.05545	0.6
163.07584	2.8
163.11185	61.3
164.11557	0.7
165.09081	3.5
165.12791	0.6
167.10678	9.2
169.08633	3.8
169.09926	0.8
173.09625	5.8
173.13228	0.7
175.07571	1.5
175.11220	1.8
177.09004	0.6
178.08638	1.9
179.10555	2.8
181.12239	12.9
183.11815	0.7
184.13313	3.3
185.09589	0.7
185.11758	1.3
187.11200	0.8
189.09090	3.4
191.07063	1.8
191.10674	45.0
191.14232	2.5
196.08910	0.6
197.09781	0.6
197.11743	1.1
201.09108	1.4
203.10670	1.8
207.10191	1.5
209.11740	16.3
209.13638	0.9
213.12840	0.6
222.07678	0.7
225.11136	1.3
225.13074	0.7
227.12766	12.4
229.12221	1.4
231.13844	0.6
241.12158	0.9
243.13892	1.1
245.15276	0.6
253.12315	1.0
257.11658	0.8
264.15964	1.2
271.13254	3.5
281.11490	0.6
289.14352	3.9
291.16010	2.2
293.13867	3.9
299.12772	1.0
304.19022	1.0
306.16736	0.7
307.15472	0.7
309.17014	3.2
311.15207	0.5
317.13837	4.0
335.15131	5.6
343.43536	0.7
353.15991	100.0
353.20688	8.7
354.16278	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01897	0.5
55.05516	10.6
56.05051	1.9
57.03442	0.6
57.05823	0.6
58.06613	0.6
58.79319	0.5
60.04533	19.5
61.01147	1.2
67.05515	2.6
68.05070	0.8
69.07082	1.8
70.02972	1.5
70.06599	16.4
71.04996	1.2
71.06933	1.0
71.09739	0.8
72.04520	0.8
72.08164	72.6
74.06091	1.7
78.03795	1.6
78.70396	0.5
79.05508	0.6
81.07084	1.5
82.06595	1.2
83.04989	13.2
83.05473	0.9
84.04515	3.2
84.08150	13.2
84.08622	0.8
85.02922	1.3
85.06564	0.9
85.08473	0.7
86.09715	13.6
87.05605	15.1
87.10048	0.6
88.04005	1.0
91.05507	2.2
93.07057	0.9
94.06575	1.8
95.04978	1.4
95.06090	0.5
96.04530	0.6
96.08137	2.9
97.02909	0.7
98.06087	0.6
98.09707	17.4
102.03793	2.9
102.05552	1.0
103.05501	1.5
105.07047	0.8
107.04977	1.5
107.08610	0.5
110.07163	2.9
112.04029	0.5
112.07614	0.8
112.08766	1.1
113.10740	0.5
114.09185	20.2
117.07089	0.6
119.04956	1.2
120.08121	28.6
121.08450	0.8
126.71114	0.5
127.03942	0.7
129.10252	6.9
130.10603	0.5
131.06413	1.5
132.04822	1.4
136.06435	0.7
136.07584	6.2
138.05513	0.5
140.14377	6.6
141.10228	0.8
142.06877	0.6
142.12230	0.6
145.02875	0.9
146.06061	0.8
147.04446	0.9
147.05937	0.7
148.07555	1.4
149.07445	7.6
154.08710	1.3
155.07092	0.7
158.15451	2.0
159.11311	100.0
162.09204	0.6
166.08650	16.3
167.09077	0.8
169.09726	1.2
174.09131	0.8
174.61038	0.5
176.10757	0.7
177.05518	1.6
177.11478	1.1
186.05745	0.7
187.10803	37.2
187.14435	2.1
191.14497	0.7
193.09799	1.6
194.08234	0.7
204.06918	0.6
221.09273	1.1
226.15556	1.2
231.11578	0.9
265.15454	1.4
292.08426	1.1
316.14246	0.7
320.11288	1.1
320.18594	1.4
325.22321	0.7
334.20242	1.6
335.10965	2.0
352.09494	0.7
352.13806	14.4
352.17535	0.5
352.21292	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.1
55.05509	2.8
56.05038	6.0
57.03445	1.2
58.06602	0.9
60.04530	2.1
65.03947	0.9
67.05504	2.5
69.03429	2.7
69.07072	11.0
70.06596	25.0
71.05000	0.9
71.06941	1.4
72.08160	15.5
73.08481	1.0
74.06105	3.7
75.05172	1.0
75.05605	22.0
79.05475	1.3
81.03416	2.0
81.07050	1.1
84.04507	11.2
84.08146	25.2
85.02912	11.2
85.08495	1.4
86.09710	100.0
87.05627	2.0
87.10023	0.8
88.04008	1.8
91.05488	6.7
93.07039	1.0
93.22808	0.8
95.01323	1.0
95.04951	1.6
95.06062	1.2
96.04504	1.2
96.08138	1.6
97.02879	4.6
97.06529	0.8
98.06046	0.8
98.09698	15.2
98.21616	1.4
98.97581	0.8
99.04487	1.1
101.07138	2.1
102.05548	2.7
103.03950	9.0
103.05457	1.1
104.05320	1.0
109.02893	2.7
110.06059	1.2
110.07179	5.7
112.07700	0.9
112.08741	2.5
113.07108	0.9
115.03906	1.5
115.08652	1.1
116.07089	1.1
117.03406	1.6
118.06553	0.8
119.04953	9.2
120.08105	5.3
121.06541	4.8
122.09720	0.9
123.04417	8.9
124.07625	1.3
127.03956	3.9
129.10243	11.3
130.05052	3.6
130.06520	2.8
130.08632	0.9
130.10675	0.8
132.08142	0.8
132.10216	1.1
134.06047	1.6
136.07582	34.5
137.05959	1.0
137.07976	1.0
138.09128	1.4
140.08191	0.9
140.14334	4.2
141.10225	0.7
143.11803	95.6
145.02856	2.4
145.05014	3.5
146.06009	1.9
147.04411	12.5
147.07712	1.0
154.06549	0.8
155.11761	0.7
156.07748	1.4
157.04926	2.4
157.06183	0.7
157.07623	1.1
158.06044	1.7
158.15417	1.4
159.09195	1.8
164.07027	1.3
165.05472	16.9
170.05981	1.1
171.09869	1.1
171.11302	23.6
172.07550	1.7
173.12927	0.9
175.08717	1.9
175.11888	1.1
177.05479	3.3
178.08778	0.8
182.08133	33.9
183.08626	0.8
187.10954	1.0
188.07072	2.1
190.08557	0.9
198.09143	1.8
199.09488	4.3
199.70636	0.9
201.10118	2.4
202.08728	1.2
202.10576	1.1
204.10251	2.2
212.06995	0.8
214.12608	0.7
215.11639	0.7
216.12068	2.1
221.09186	1.1
229.07060	2.2
230.08109	1.2
242.10152	1.9
243.07628	0.8
243.10800	1.6
244.09639	0.8
270.13150	0.8
272.08997	0.9
288.13400	2.5
290.10181	1.5
291.14227	0.8
298.12857	0.8
302.06522	1.1
306.12698	1.1
316.10095	0.9
316.13712	2.1
334.11212	1.3
334.14682	11.6
351.68729	0.9
352.15814	7.5
353.08768	0.9
353.17105	3.2
353.21066	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1619
Annotation	9-Ribosyl-cis-zeatin
Peak:m/z	Relative Intensity
55.01866	0.4
55.05503	1.4
56.05031	1.5
57.03440	0.9
57.07067	0.3
60.04519	1.3
61.01140	0.9
61.34894	0.3
63.43628	0.3
67.05514	1.6
69.07082	0.5
70.06603	7.7
70.95183	0.8
71.06934	0.6
72.08163	11.5
73.65559	0.3
74.06097	0.9
81.07067	0.6
82.06595	0.3
83.04971	0.5
84.04515	0.8
84.08154	6.2
85.02915	1.1
86.09228	0.6
86.09711	6.0
87.05582	0.5
87.10049	0.4
91.05499	1.6
92.61960	0.4
96.08113	0.4
97.06551	0.4
98.09699	3.9
104.05344	1.3
107.04950	0.6
109.10177	1.3
110.07206	0.6
115.08785	0.4
119.03573	0.8
119.04956	1.2
120.08118	5.2
121.02857	0.4
121.08485	0.4
127.03944	0.4
129.10260	4.7
130.10605	0.4
132.10242	0.8
135.09119	0.4
136.06203	91.7
136.07559	9.6
137.04620	0.6
137.06573	0.5
140.14342	1.6
143.08179	0.4
145.02876	0.5
147.04469	0.4
148.06192	2.3
155.10716	0.8
158.15436	0.5
159.06685	1.3
159.09090	0.4
159.11314	1.2
166.08678	2.7
167.08252	0.4
167.11778	0.3
173.08321	0.5
177.05553	1.1
185.08252	5.6
185.16646	0.5
187.10832	2.5
191.08308	0.4
193.09763	4.8
202.10884	8.3
207.11430	0.4
220.11952	100.0
221.09334	0.9
221.12271	1.0
253.11920	1.8
292.29025	0.4
294.90573	0.4
322.36700	0.3
334.20251	0.7
352.16284	12.2
352.21289	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	352.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96210	0.8
55.01882	1.2
55.05514	14.4
56.05023	1.9
57.03424	0.7
57.05793	0.9
58.06595	0.7
60.04230	1.0
60.04528	20.6
67.05511	3.4
69.03437	0.7
69.07061	1.8
70.02949	2.2
70.06595	17.5
71.05012	0.8
72.04506	0.7
72.08159	72.7
74.06064	1.5
75.35758	0.7
76.02203	1.1
78.03802	3.3
79.05479	1.2
81.07059	1.6
82.06573	0.9
83.04986	18.1
84.04494	2.8
84.08151	15.4
85.02895	0.9
86.09706	15.6
87.05598	14.9
91.05462	1.2
93.07056	0.7
94.06574	1.1
95.04973	1.8
95.08612	1.0
96.08140	2.7
97.02911	0.6
98.09700	20.8
102.03761	4.5
102.05565	1.1
103.05469	1.9
107.04957	1.6
109.10149	0.8
110.06062	1.0
110.07170	4.3
112.07585	0.9
112.11128	0.8
114.08421	1.3
114.09177	20.5
115.08749	0.8
118.06515	0.8
118.98217	0.7
120.08116	30.3
122.06045	1.0
124.03925	0.8
124.07603	0.7
127.08694	0.8
129.10251	10.9
130.05029	0.7
130.06535	1.0
131.04947	0.9
131.06375	2.3
132.04787	3.1
132.10242	1.1
133.10170	0.9
136.06181	0.8
136.07626	4.1
137.05974	2.3
137.07904	0.6
140.14354	8.6
147.04419	1.3
148.07524	1.0
149.07440	8.7
154.08621	1.4
155.07007	1.0
158.15370	3.1
159.11298	100.0
166.08659	14.8
169.09732	1.0
177.05443	2.3
177.11559	1.5
187.10791	35.8
187.14397	1.4
191.14131	0.8
193.09721	1.2
194.08061	1.0
195.08514	1.3
203.59172	0.6
204.06909	1.7
226.15456	1.4
231.11623	1.6
258.07947	0.7
288.14313	0.9
292.08307	1.1
311.80386	0.7
320.11371	1.2
320.18576	2.6
334.20258	2.0
335.11035	2.7
352.09457	1.5
352.13730	18.5
352.17181	0.9
352.21271	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	352.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01861	1.6
55.05512	0.8
57.67846	0.8
61.02924	2.0
67.05493	1.4
68.05032	0.9
69.03421	1.2
70.04267	2.2
79.05472	2.1
80.05019	2.1
81.03407	0.8
81.05798	4.1
81.07057	5.9
85.05288	5.4
91.05488	11.0
93.07048	12.6
94.06552	0.7
95.01325	1.5
96.04484	2.3
98.20792	0.9
103.05479	1.5
105.07038	10.9
107.07326	1.8
108.04478	1.4
109.05265	38.5
115.05459	2.7
116.06231	1.1
117.07012	4.9
119.07259	0.8
119.08582	3.2
120.08093	2.0
122.05979	1.4
124.03963	5.8
126.01824	0.8
127.07710	0.8
129.07008	3.0
130.06528	2.1
131.04951	1.2
131.08571	9.4
132.04482	1.4
133.10124	5.9
134.06001	1.1
136.03972	2.0
138.05490	0.9
143.07315	1.1
143.08554	1.5
145.06490	3.0
145.10211	1.0
146.05972	0.8
147.08130	1.3
148.03952	1.1
148.07558	4.4
148.11215	1.0
150.05519	5.0
152.03441	22.2
154.04988	1.6
155.08571	1.4
156.07986	1.0
158.05984	1.7
159.08072	6.8
160.03905	4.4
160.08820	1.0
161.09697	1.5
162.09119	2.3
166.05017	1.2
167.07338	1.0
173.09607	0.8
176.03459	1.2
176.10751	5.8
177.11520	11.1
178.05000	21.2
186.05557	1.0
188.03433	10.8
200.10698	1.8
201.09184	0.9
204.06584	2.4
206.04518	4.3
214.04991	4.0
217.07205	0.9
218.11786	1.3
224.05539	3.0
228.10245	2.5
244.09660	1.0
246.11276	29.8
256.09854	4.1
264.12280	1.6
266.06635	5.7
274.10760	22.9
275.91812	0.7
284.07645	7.1
288.12283	1.0
292.11890	6.4
306.13641	1.2
317.38718	0.7
334.12863	90.9
335.13058	0.9
352.13928	100.0
353.14349	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
55.05514	1.3
56.05031	1.4
56.96298	1.1
56.96566	14.6
57.03434	1.1
58.06582	0.9
60.04506	0.6
67.05516	2.9
67.63447	0.5
69.03429	1.4
69.07060	0.8
69.78219	2.0
70.06598	3.8
71.05010	1.3
71.95264	1.2
72.08151	2.4
74.06059	0.7
81.03432	1.2
81.07072	0.6
84.04523	2.0
84.08142	5.8
84.96036	7.8
85.02917	2.8
86.09714	2.4
86.22919	0.6
91.05453	0.7
93.25732	0.5
96.08195	0.6
97.02899	1.8
97.96817	1.0
98.09695	13.3
98.97587	70.3
99.10040	1.3
101.95014	1.6
102.05592	0.6
107.04975	0.6
110.07165	1.8
110.97573	35.1
112.99146	5.4
113.07137	0.7
115.00693	1.2
116.98630	20.2
120.08095	2.3
121.06515	1.3
124.99141	2.6
126.97034	1.1
127.00686	12.8
127.03876	0.7
128.98611	24.1
129.10237	1.7
130.08623	0.9
131.00183	3.3
133.01643	0.7
133.04967	0.6
134.99643	3.2
136.06302	0.6
136.07574	1.7
136.99113	0.8
138.05469	0.8
140.00182	1.1
140.14363	4.1
140.98616	3.0
141.14679	0.9
143.00177	7.4
143.01894	0.9
143.11746	0.6
144.13841	2.0
144.98105	1.7
145.01726	24.7
145.02872	1.2
146.99638	6.5
147.04413	1.1
148.06148	0.6
149.01254	0.8
152.00203	0.8
152.98666	1.0
155.00200	1.7
156.13832	1.2
158.15410	100.0
158.99661	15.5
159.15764	18.9
161.01242	4.5
161.02531	0.7
161.58572	0.6
163.02779	12.2
168.03372	0.6
169.01741	2.8
170.99641	7.1
171.03319	0.9
173.01199	1.5
177.00716	8.7
179.02318	0.7
181.03816	0.8
182.99609	0.9
185.01218	1.2
187.02785	8.2
189.00740	4.7
189.04335	1.6
190.14415	2.4
199.02789	1.4
200.02457	0.6
201.00656	9.4
201.04285	0.6
203.02248	0.7
205.03883	4.6
207.01642	0.8
211.02806	1.2
217.03871	1.7
219.01772	72.7
220.02173	0.7
223.02776	4.6
223.04614	0.8
228.05733	0.8
229.03825	5.7
231.05412	0.9
237.02827	73.9
238.03255	1.0
241.03928	3.5
241.06136	0.6
242.03496	1.6
247.04852	2.7
255.03911	3.0
257.02512	0.6
260.04407	1.1
271.04965	0.9
289.05951	47.1
307.07004	81.2
310.09012	0.9
323.02072	0.6
330.08563	2.8
351.68936	0.7
352.05511	42.2
352.19031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24553	0.7
55.05510	2.0
56.96561	1.3
57.03440	1.1
57.07069	0.7
67.05508	8.4
69.07071	3.9
70.06592	0.8
71.04987	1.0
71.08630	1.8
71.74844	0.7
79.05489	6.9
81.07061	6.9
83.04964	1.0
83.08591	1.2
84.08147	1.4
85.06547	0.9
89.09159	0.8
91.05497	5.1
93.07038	7.8
94.04156	1.3
95.04947	2.1
95.08612	6.2
97.06568	1.3
97.10163	0.9
99.08080	1.6
105.07032	6.7
107.08611	5.2
109.06525	0.9
109.10146	3.3
111.08081	1.1
117.07076	1.1
119.08585	4.4
121.10180	3.7
122.03672	3.8
123.11734	1.1
127.27961	0.7
128.50060	0.7
131.08563	1.8
133.10149	5.2
135.11658	3.9
137.05984	100.0
138.06265	1.0
143.08519	1.0
145.10115	2.2
147.11726	3.9
149.13220	1.8
151.11133	1.5
153.12770	1.6
157.10086	1.8
161.13254	2.6
163.11241	0.9
170.15375	2.3
171.11742	1.9
173.13176	1.2
179.14267	1.5
182.15399	4.2
226.11195	0.8
241.19505	1.8
259.20535	4.1
277.21555	3.3
292.22678	0.9
306.20599	6.9
333.17200	1.1
351.18140	1.2
351.25732	8.4
369.19370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.4
55.05510	20.2
57.07072	7.6
62.42438	4.8
65.03938	5.9
66.42488	5.6
67.05512	42.5
69.07075	56.1
71.04982	8.7
71.17084	7.0
79.05499	32.6
81.07055	63.7
83.08620	15.7
91.05489	38.9
93.07051	66.1
95.04971	21.1
95.08615	71.9
97.06512	16.9
97.10164	7.0
105.07034	85.3
107.08593	65.7
109.06452	8.8
109.10167	46.7
117.07043	13.4
119.08588	100.0
121.06521	7.6
121.10166	46.5
123.08136	5.7
123.11726	16.5
128.06258	6.7
129.07011	10.6
131.08578	39.2
133.10138	51.4
135.08032	14.0
135.11697	19.1
137.13298	13.5
142.07784	9.4
143.08571	27.0
145.10141	43.1
146.88849	5.2
147.08038	13.0
147.11700	29.5
149.09610	15.4
150.82755	5.4
155.08525	6.3
156.09305	6.4
157.10150	40.7
159.08031	5.8
159.11725	23.0
159.66751	5.3
161.09637	44.1
161.13264	8.5
163.11258	6.3
169.10153	6.8
171.11707	22.1
173.09668	7.8
173.13274	15.2
175.11223	10.7
175.14769	13.3
177.16393	20.0
183.11717	8.2
185.13292	19.8
187.14833	12.7
189.16356	12.8
194.10971	5.6
197.13310	13.0
199.14784	9.1
201.16411	12.3
203.17944	7.9
209.13179	12.4
217.85902	5.0
227.17909	5.1
241.19447	7.5
255.21159	9.3
259.20767	5.3
265.84140	4.4
267.21149	6.4
351.26920	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.9
55.01870	6.6
55.05515	25.1
57.02084	1.9
57.03439	22.1
57.07067	4.6
61.02911	2.2
62.56871	2.1
65.03923	2.8
67.05508	55.6
69.07074	22.7
70.68372	4.2
71.04976	4.3
71.08640	23.7
79.05071	4.0
79.05498	52.9
81.03423	4.7
81.07063	55.9
83.04967	7.3
83.08627	14.2
85.06525	6.4
91.05486	40.9
93.07051	67.2
95.04982	7.1
95.08608	46.8
97.06548	10.3
97.10158	4.3
99.08089	20.1
105.07041	35.3
107.04956	4.7
107.08591	36.9
109.06522	4.4
109.10158	17.2
111.08040	5.1
113.09663	2.5
117.07018	9.2
119.08592	31.2
121.06519	2.7
121.10152	35.2
123.11749	3.6
128.06192	2.2
129.07025	2.8
131.00041	2.1
131.08545	11.6
133.03436	2.1
133.10129	26.2
135.08183	2.7
135.11705	32.3
137.09723	2.5
140.98442	3.0
143.08563	6.1
145.10121	9.3
147.11731	28.8
149.09618	2.5
149.13283	14.9
151.11209	10.1
157.10120	4.6
159.11711	13.0
161.13293	21.3
163.11182	3.3
163.14822	5.9
165.12776	3.0
171.11736	4.6
173.13295	6.9
175.14841	6.2
177.12779	4.3
179.14319	54.3
185.13248	7.1
187.14801	3.6
189.00638	3.4
195.13795	2.8
199.14835	5.0
213.16348	2.1
231.21127	3.7
235.16943	3.6
241.19485	12.3
259.20581	43.2
268.46417	2.0
277.18417	3.4
277.21637	38.1
289.68958	2.0
293.57724	2.1
315.98669	1.9
333.13669	3.8
351.25320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57254	1.0
53.03939	4.3
55.01868	2.4
55.05512	23.2
55.66116	1.0
57.03444	29.6
57.07066	3.4
65.03938	1.1
67.05140	1.3
67.05511	44.7
69.07076	20.0
69.68266	5.5
71.04996	3.1
79.05502	44.9
81.07061	53.3
81.19934	1.0
82.15843	1.0
83.04983	3.8
83.08624	13.4
85.06542	5.4
91.05490	39.6
93.07052	65.5
95.04974	4.4
95.08613	38.0
97.06535	5.8
97.10190	3.8
98.20860	2.1
99.08075	3.7
103.37505	1.0
105.04527	2.1
105.06319	1.2
105.07037	36.7
107.08605	39.5
107.47720	1.0
109.06539	3.1
109.10165	16.3
109.95964	0.9
111.08104	4.2
113.09679	1.5
115.05505	1.2
117.07034	12.5
119.08592	31.7
121.06512	2.2
121.10149	33.6
123.08067	3.2
123.11729	5.6
125.09591	1.3
129.07033	5.4
130.07834	1.1
131.08574	17.3
133.10139	30.4
135.11693	31.1
137.09584	2.4
139.11165	2.0
140.59995	1.0
143.08588	6.1
145.10141	15.3
147.10530	1.8
147.11694	29.5
149.09621	2.8
149.13264	19.5
151.11226	2.8
153.09039	1.2
155.53481	1.0
157.10155	6.0
158.39087	1.1
159.11707	15.8
161.09584	1.5
161.13264	15.6
163.11237	3.2
163.14853	4.3
165.12776	3.8
169.10185	1.0
171.11676	5.9
173.13287	7.7
175.11351	1.7
175.14818	8.9
177.12794	2.8
177.16400	1.8
185.13290	8.6
187.14818	7.0
189.12843	1.4
189.16437	1.4
195.13957	1.0
199.14828	3.8
201.16405	1.4
203.14336	1.6
203.17967	1.2
204.75835	1.0
205.15865	5.4
210.69769	1.0
213.16443	3.3
215.17857	1.5
221.19083	3.3
231.21086	4.6
241.19530	19.2
245.93352	1.0
259.20587	50.5
261.22324	1.2
277.21628	21.8
277.24405	2.0
293.21173	2.3
319.00824	1.1
333.24384	6.6
351.25339	100.0
352.25546	2.4
364.65192	1.2
370.86060	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
54.87446	1.3
55.01880	2.5
55.05516	18.6
56.96557	1.9
57.03437	7.6
57.07093	2.5
60.80486	1.4
65.03947	2.2
67.05509	45.1
69.06738	1.4
69.07076	16.2
70.06591	1.6
70.19224	1.3
70.66398	2.5
70.66719	1.9
71.04990	4.2
72.49702	1.3
74.89214	1.3
75.04494	2.2
79.05500	69.1
81.07065	55.3
83.04991	3.4
83.08617	12.0
84.08166	2.1
85.06533	5.9
87.96262	1.7
91.05486	56.3
93.07051	91.5
95.04990	9.7
95.08615	38.5
97.02904	1.5
97.06522	5.7
97.10143	3.9
99.08078	3.6
105.04465	1.4
105.07036	60.4
107.04984	1.9
107.08606	54.1
109.04496	1.3
109.06560	4.0
109.10167	19.2
111.08035	3.7
113.09647	2.0
117.07021	13.5
119.08590	53.2
121.06538	3.0
121.10150	44.1
123.08075	3.4
123.11717	6.4
125.09644	2.0
128.06181	2.3
129.07018	10.7
130.07814	1.6
131.08598	26.8
133.10138	54.8
135.08081	5.7
135.10695	2.9
135.11702	46.4
137.09656	7.4
137.13278	2.5
141.06972	1.6
143.08560	12.2
145.10129	27.1
147.08052	2.0
147.11697	53.6
149.09616	3.8
149.13274	25.8
151.11159	2.1
157.10117	11.8
159.08041	1.9
159.11710	19.2
161.09645	2.7
161.13277	34.1
163.11211	4.0
163.14809	7.6
165.12781	3.0
169.10155	2.6
171.11688	14.6
172.12227	1.6
173.13318	10.2
175.11147	2.1
175.14844	14.5
177.12738	5.7
181.10207	2.2
183.11703	3.9
185.13245	15.5
187.14856	2.7
189.12717	1.9
189.16296	2.3
193.10167	2.3
193.12213	3.3
195.11755	2.0
199.11163	1.8
199.14798	8.9
203.14310	2.2
207.11780	2.5
211.11218	2.0
213.16353	5.0
215.14427	1.8
217.15939	2.1
217.19489	2.2
221.15327	1.8
223.14937	1.7
231.17476	2.1
231.21060	9.2
233.13225	2.5
241.17250	2.9
241.19524	37.0
241.21765	1.2
242.20036	1.9
249.16394	2.3
259.20596	100.0
261.22104	2.1
265.15683	1.8
267.17307	2.4
275.17715	1.9
277.21701	13.2
291.21136	1.5
293.18948	2.1
333.18024	1.6
333.24240	5.9
351.18423	2.3
351.25616	71.2
369.19318	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.0
54.77747	1.3
55.01878	3.1
55.05516	16.3
56.96571	2.6
57.03445	9.0
57.07081	4.4
62.99736	1.3
65.03957	2.1
67.05510	51.1
69.03446	2.0
69.07073	17.8
71.04998	2.9
71.06186	1.4
71.08638	9.0
71.31806	2.3
71.32143	1.8
75.04498	2.2
79.05498	62.6
81.03429	2.2
81.07064	51.5
81.07535	2.9
83.05016	2.3
83.08649	7.7
84.08164	2.7
85.06548	6.8
86.09691	2.0
91.05487	62.5
93.07048	79.1
95.04980	7.0
95.08614	38.7
97.06563	4.2
97.10200	3.6
99.08104	10.5
105.04552	1.9
105.07037	59.3
107.05010	2.2
107.08601	49.9
109.06522	2.7
109.10169	13.8
111.08130	2.4
113.09686	1.8
117.07028	14.4
119.08589	54.4
121.06531	2.2
121.10155	36.2
123.11716	2.8
125.09647	2.0
129.07048	10.6
131.08574	21.0
133.10141	49.1
135.08075	2.5
135.11707	32.8
137.09650	3.6
143.08603	10.6
143.09586	1.5
145.10141	20.5
147.08069	2.1
147.11707	47.1
149.09691	4.2
149.13280	19.7
151.11226	6.0
157.10104	10.6
159.11714	17.6
161.13274	38.6
161.14616	1.9
163.11220	3.8
163.14850	8.4
163.68944	1.8
169.10153	2.1
170.71039	1.6
171.11700	17.4
173.13274	9.2
174.17805	1.6
175.14865	15.2
177.12787	4.2
179.14371	4.4
185.13260	16.9
187.14909	3.1
189.12787	1.9
199.14912	7.0
203.14299	2.2
213.16502	4.1
217.19498	2.5
231.17567	3.3
231.21065	13.2
241.19534	36.4
259.20609	100.0
277.21698	13.5
333.21509	2.1
336.12988	1.5
338.09976	1.6
351.25400	79.1
352.25873	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.4
55.01871	2.7
55.05510	16.0
57.03439	7.0
57.07083	3.4
67.05508	44.9
69.07071	15.1
69.90378	1.3
70.19961	1.7
71.04990	3.6
75.04488	3.6
79.05495	58.9
81.07061	48.4
83.04979	1.7
83.08620	5.9
85.06560	5.3
91.05487	60.4
93.07050	82.5
95.04978	3.9
95.08615	31.9
95.09185	3.0
97.06581	3.0
97.10165	2.1
99.08105	2.8
99.65527	1.4
103.05431	1.7
105.04563	1.7
105.07034	64.1
107.08595	45.0
109.06512	3.5
109.10165	15.3
111.08089	1.8
113.09631	2.0
117.06987	12.5
119.08590	55.0
121.06502	2.5
121.10155	41.2
123.08125	2.4
123.11739	5.3
125.09666	1.6
128.06239	2.8
129.07024	12.4
131.08568	21.7
133.10146	58.8
135.08118	2.3
135.11703	35.8
137.09610	4.2
142.07828	2.7
143.08562	12.9
145.10126	29.0
147.08136	1.5
147.11691	54.6
149.09581	3.6
149.13249	23.0
151.11197	1.9
157.10156	12.0
159.11707	21.9
161.09648	1.5
161.13268	40.3
163.11217	2.5
163.14835	6.8
171.11702	16.3
173.13272	9.5
175.14828	17.2
177.12823	1.9
179.14330	1.6
185.13275	15.4
187.14888	3.3
197.13411	1.8
199.14841	8.5
201.16426	1.5
203.14412	3.1
213.16428	3.4
221.18039	1.4
231.17459	2.6
231.21046	8.0
241.19511	33.8
259.20593	100.0
260.21085	2.0
277.21738	5.7
333.24280	2.6
351.25409	78.5
369.19907	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
55.01867	2.9
55.05515	22.5
57.03437	12.5
57.07078	5.1
65.03941	4.1
67.05508	61.6
69.03431	2.8
69.06791	1.8
69.07074	20.8
69.86016	8.6
71.04996	4.5
71.08638	4.1
75.04480	2.2
79.05495	75.4
81.03424	3.4
81.06591	3.6
81.07062	67.4
81.14302	2.2
83.05000	3.7
83.08606	11.7
84.08144	2.2
85.06537	4.9
91.05482	57.1
91.06028	3.7
93.07047	100.0
95.04971	7.4
95.08606	43.0
97.06534	3.0
97.10155	6.6
99.08096	5.9
103.05466	3.0
105.07031	66.9
107.04958	2.8
107.08594	56.3
109.06518	2.8
109.10160	21.6
111.08071	3.0
113.09674	2.9
117.07020	13.0
119.08580	57.0
121.10143	44.9
123.08070	4.1
123.11708	3.7
125.09640	5.4
128.06261	1.9
129.05479	1.8
129.06985	10.0
131.08577	23.1
133.10135	47.9
133.11107	3.4
135.08072	4.0
135.11700	42.7
137.09659	3.7
139.11195	2.3
142.07794	2.3
143.08545	11.3
145.10118	21.1
147.11705	49.4
149.09636	4.0
149.13272	26.5
151.11211	4.4
157.10132	12.7
159.11702	21.1
161.09578	2.5
161.13275	36.1
162.08945	1.8
163.11182	4.6
163.14832	11.5
165.12764	2.5
171.11670	16.7
173.13249	15.9
175.11282	2.8
175.14821	23.0
177.16341	2.6
179.14432	6.1
179.88817	1.9
181.12184	2.1
185.13297	13.4
187.14810	4.3
189.12781	3.2
199.14856	8.1
201.16425	3.0
203.14285	2.8
213.16364	4.5
215.18150	2.9
217.15950	2.5
217.19580	6.4
231.17462	2.6
231.21127	7.7
241.19508	41.0
241.21765	3.1
259.20575	95.1
277.21677	25.6
292.84842	1.9
333.24472	11.4
351.25363	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
55.01858	4.8
55.05513	24.3
57.03440	39.3
57.07060	3.0
59.04997	1.1
63.74662	1.0
65.03925	3.3
67.05508	55.5
69.06727	2.1
69.07070	23.1
69.30756	10.0
70.06598	1.4
71.04990	5.3
71.08633	10.8
75.04464	1.1
79.05495	52.3
79.57287	1.0
81.03453	2.6
81.07059	71.3
83.04965	5.8
83.08622	13.8
84.08141	1.1
85.06542	5.8
90.75365	1.1
91.05482	49.0
93.07046	79.9
93.94969	1.2
95.04969	8.0
95.08608	56.9
97.06545	6.0
97.10162	5.9
97.44358	1.0
99.08093	12.5
101.06027	1.2
103.03947	1.5
105.03325	1.2
105.04537	1.1
105.07037	45.0
107.04956	1.9
107.08601	42.0
109.06516	5.9
109.10155	21.9
111.08094	5.5
113.09653	1.8
117.07010	13.6
119.08586	33.7
120.08081	1.4
121.06507	2.7
121.10152	37.3
123.08051	4.1
123.11671	6.9
125.09637	5.2
127.07529	1.3
129.06993	7.6
131.08569	17.6
133.10133	32.5
133.11110	2.3
135.08084	3.0
135.11690	28.4
137.09618	2.8
137.13301	1.2
139.11192	2.3
140.96924	1.0
143.08522	7.6
145.10129	18.0
147.11688	30.5
149.09575	2.8
149.13261	16.6
151.11182	6.9
155.08641	1.3
157.08978	1.2
157.10104	6.3
159.11714	14.1
161.09702	1.7
161.13261	21.4
163.11203	5.8
163.13603	1.0
163.14807	5.7
165.12762	4.7
171.11702	7.7
173.13229	8.8
175.11217	1.6
175.14813	10.9
177.12782	2.6
179.14398	5.5
185.13275	7.9
185.17377	1.0
187.14827	8.6
189.12769	1.1
189.16455	1.4
191.14331	1.8
195.13838	1.4
199.14807	6.2
201.16466	1.2
203.14320	1.1
203.18040	1.8
205.15915	4.3
207.13741	2.2
213.16365	2.1
214.94154	1.1
217.15971	1.3
217.19510	2.9
217.40251	1.1
221.19067	3.2
231.21071	6.0
235.16980	1.4
240.17499	2.4
241.19502	16.9
249.22157	3.1
259.20593	41.8
277.21622	33.3
293.21225	2.3
333.24414	5.7
351.21866	3.8
351.25339	100.0
352.25595	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	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
51.93372	0.2
55.05502	0.8
57.03418	0.4
58.06583	0.3
59.05561	0.2
62.87257	0.2
67.05510	1.3
69.07072	0.6
69.31009	1.8
69.86120	0.2
70.06604	0.5
76.83742	0.2
77.00934	0.3
79.05489	1.2
81.07052	1.4
83.08590	0.3
84.08121	0.3
86.09699	0.4
91.05470	0.9
93.07074	1.3
95.04975	0.8
95.08612	1.0
97.06528	0.3
105.07034	1.1
107.04951	0.3
107.08588	0.8
109.06526	0.4
109.10152	0.4
117.07048	0.3
119.08590	0.9
121.06509	0.3
121.10144	0.7
131.08556	0.5
133.10150	0.6
135.08037	0.3
135.11688	0.4
138.89125	0.2
145.10133	0.6
147.11734	0.6
159.11700	0.5
161.13284	0.3
171.11761	0.4
175.14839	0.3
209.13438	0.2
213.09674	0.5
227.11346	0.3
231.10861	0.5
241.09338	0.3
241.19621	0.3
254.13651	0.4
259.20676	0.5
277.21588	0.4
292.43643	0.3
333.20004	0.6
336.16541	0.5
351.21497	100.0
352.21768	1.2
369.21313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2146
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
50.41349	0.5
55.01875	0.8
55.05506	1.7
62.06113	0.5
67.05517	2.6
69.03425	0.6
69.07068	2.0
70.06581	1.5
70.09775	2.0
71.05004	0.6
72.08186	0.7
79.05500	1.8
81.03428	0.6
81.07059	4.1
82.44056	0.6
84.08163	1.1
86.09722	0.7
91.05468	2.1
93.07051	2.5
94.06558	0.7
95.04958	1.0
95.08612	2.3
97.06516	1.1
98.06092	0.7
101.92612	0.5
105.07045	3.7
107.08596	2.7
109.10181	1.6
110.06024	0.8
111.08066	0.9
115.91529	0.6
119.08586	1.7
121.06510	1.0
121.10182	1.4
122.06030	1.4
123.08081	0.7
125.09662	1.0
129.10309	0.7
131.08611	0.6
133.10115	1.6
135.08025	1.2
135.11650	0.7
137.09659	0.6
147.08020	0.9
149.09644	0.7
149.13269	0.8
151.07674	0.7
157.08696	0.7
157.10056	0.8
159.11667	1.1
161.09608	0.7
161.13239	0.6
163.11247	0.9
165.12880	0.7
196.70131	0.6
237.65070	0.6
277.21738	1.1
281.09097	1.0
324.50598	0.6
333.20352	0.8
351.21460	100.0
352.21899	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38974	1.9
51.77101	1.8
64.86412	2.1
67.05492	2.7
69.78899	1.8
71.11201	4.6
81.99274	2.0
94.93011	6.5
96.92214	2.2
96.97289	1.8
98.09698	15.3
98.97571	2.4
107.54654	1.7
111.13811	1.6
112.89613	85.7
112.90405	4.1
114.89347	8.0
126.44244	2.0
139.91460	19.8
140.14297	4.3
142.11420	2.2
143.01976	1.8
147.04935	2.0
156.13940	2.9
158.15416	100.0
159.15755	2.5
248.89754	4.0
249.89986	4.2
250.89514	5.3
256.93542	1.8
291.09067	2.3
315.03146	2.0
351.06885	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40840	1.0
56.96561	4.6
64.37601	1.1
70.24769	2.3
70.25158	1.6
72.22086	1.0
84.08143	1.0
84.76982	1.0
98.09692	6.7
98.97575	5.9
110.97569	1.3
112.88953	1.6
112.89629	16.3
115.49777	1.1
116.98611	2.6
117.40156	0.9
119.01911	1.2
128.98656	0.9
133.03453	1.2
139.91451	4.7
140.14378	1.3
156.13779	3.0
158.15419	28.3
160.18254	1.1
170.99582	1.4
172.94525	1.1
173.02966	1.3
189.00615	1.9
193.00249	1.4
193.04059	1.1
221.00278	1.0
231.01747	1.4
237.02762	1.7
249.02850	1.6
291.03903	1.5
351.06876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66600	0.8
66.34541	0.9
67.05502	1.8
69.86117	4.3
80.93641	0.8
84.08151	11.7
98.09689	2.4
126.12801	11.2
140.14319	1.0
144.13841	100.0
145.14171	0.9
156.13826	0.9
158.15427	11.0
159.15756	1.6
183.85556	1.0
195.28690	0.9
231.31674	0.8
325.09088	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38265	3.3
57.07080	89.0
62.20607	3.2
62.98376	3.0
63.66860	3.6
69.07064	5.8
71.08640	70.7
71.52573	5.1
78.43768	3.3
81.07061	5.1
85.10192	51.5
87.04482	4.2
89.06044	62.7
91.05470	4.1
93.07063	5.6
95.08630	5.1
99.11729	8.4
105.07085	3.9
109.06492	4.2
113.13330	5.4
121.10181	5.3
133.08626	18.8
151.09671	100.0
186.32315	3.5
188.42311	4.2
218.97594	3.2
278.70767	3.3
329.85858	4.2
333.30127	35.0
350.24872	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	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03937	0.5
55.05515	4.2
55.97508	0.4
57.03439	0.4
57.07062	0.7
67.05500	2.9
69.06729	0.7
69.07072	8.5
70.81697	0.8
71.04991	0.7
73.06542	0.6
79.05498	3.1
81.07060	6.5
83.04969	0.8
83.08640	2.7
85.06523	0.5
88.15805	0.4
91.05483	1.1
93.07049	3.9
95.04967	0.6
95.08608	5.6
97.06540	1.0
97.10170	0.8
105.07063	2.2
107.08604	3.6
109.06526	8.6
109.10184	2.7
111.08077	1.5
117.07046	0.4
119.08601	2.0
121.10146	2.9
123.08073	52.6
123.11686	1.4
131.08560	0.8
133.10139	2.0
135.08060	4.2
135.11696	1.3
137.09641	2.3
137.13228	0.5
145.10109	0.8
147.11676	1.5
149.09634	1.2
149.13263	1.3
159.11726	1.1
161.13266	1.0
161.80432	0.4
163.11162	0.6
167.14343	0.6
177.12746	0.5
179.14330	6.8
222.96017	0.5
233.19000	0.7
263.25018	0.4
275.20081	1.2
289.25229	0.6
293.21149	12.9
331.26416	1.9
349.27383	100.0
350.27698	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03941	0.6
55.01868	0.6
55.05515	4.0
57.07059	1.4
67.05509	3.8
69.07070	9.1
70.21258	1.5
71.04981	0.8
71.08637	0.5
79.05495	2.8
81.07059	6.9
81.37731	0.4
83.04979	0.8
83.08619	3.1
84.27993	0.4
84.42066	0.4
85.06541	1.1
91.05475	1.5
93.07050	3.7
95.04959	0.6
95.08619	5.5
97.06523	1.1
97.10149	1.0
99.08112	0.7
105.07032	2.3
107.08597	4.5
109.06528	9.4
109.10181	2.5
111.08073	1.4
114.18796	0.4
117.07037	0.5
119.08592	3.3
121.10132	3.3
123.08077	53.7
123.11697	1.9
131.08589	0.5
133.10121	2.7
135.08067	4.4
135.11707	1.8
137.09583	2.2
137.13260	0.7
145.10110	0.9
147.11674	1.1
149.09615	0.7
149.13295	1.4
159.11699	1.8
161.13274	1.5
165.12758	0.5
173.13200	0.8
179.14316	11.7
233.18930	0.8
275.20084	1.2
281.21109	0.6
289.25305	0.9
293.21121	15.2
307.22800	0.5
331.26306	2.3
349.27393	100.0
350.27692	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03948	0.4
55.05510	2.0
57.06840	0.3
57.07080	4.2
60.82331	0.4
62.06080	0.3
63.41676	0.3
67.05511	2.5
69.07069	2.2
70.75556	0.8
71.05001	0.5
71.08637	2.4
79.05507	2.1
81.06659	0.4
81.07065	5.1
83.04967	0.4
83.08612	0.8
85.06545	2.3
91.05482	0.8
93.07047	2.0
95.04956	0.4
95.08619	4.0
97.06513	0.4
97.10191	0.4
99.08081	1.3
100.97170	0.3
105.07033	1.6
107.08614	1.7
109.06522	17.3
109.10162	1.6
111.08099	0.5
119.08564	1.8
121.10136	1.3
122.07275	2.2
123.08073	22.3
123.11683	0.8
131.08601	0.5
133.10138	0.9
135.08060	2.8
135.11681	0.6
137.09622	0.9
137.13283	0.6
145.10095	0.4
147.11685	0.9
149.09610	0.4
149.13272	0.4
151.11133	0.3
151.14804	0.4
159.11708	0.5
161.13152	0.4
163.14742	0.3
165.12721	0.7
167.14308	0.7
177.16409	0.3
179.14316	100.0
180.14651	0.8
189.16429	0.4
193.15903	2.6
207.40356	0.3
233.18927	0.4
289.25259	0.4
293.21060	0.4
331.26440	2.0
335.78867	0.3
349.27380	89.8
350.27649	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	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.33038	0.3
53.19495	0.3
55.05508	2.0
57.06842	0.3
57.07084	5.0
67.05506	3.9
69.07077	2.7
70.75843	0.4
70.76186	0.8
71.04983	0.7
71.08625	1.7
77.03889	0.4
79.05504	2.8
81.07063	6.0
83.08620	0.9
85.06546	2.6
90.76608	0.3
91.05501	1.9
93.07043	3.5
95.04967	1.0
95.08612	5.7
97.06509	0.7
97.10098	0.4
99.08083	1.6
105.07024	3.6
107.08611	4.4
109.06529	17.0
109.10171	3.6
109.11324	0.4
111.08082	0.5
117.07005	0.4
119.08585	3.5
121.06429	0.4
121.10156	4.1
122.07275	1.8
123.08075	24.4
123.11696	0.8
131.08571	1.9
133.10179	2.3
135.08051	3.8
135.11703	1.1
136.08838	0.6
137.09630	0.8
143.08545	0.9
145.10149	1.8
147.11682	1.1
149.09636	0.7
157.10144	1.1
159.11708	1.0
161.09665	0.4
161.13245	0.8
165.12692	0.9
167.14346	0.5
169.10214	0.4
171.11743	0.7
175.14922	0.5
179.14320	100.0
180.14674	1.0
181.10243	0.3
185.13112	0.4
187.14912	0.6
189.16437	0.4
193.15909	2.5
197.13216	0.4
199.14874	0.4
201.16473	0.4
209.13339	0.5
211.14688	0.6
234.76660	0.4
242.51689	0.4
289.25229	0.7
293.20966	0.5
331.26352	2.9
349.27414	92.6
350.27682	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13262	1.1
53.59407	1.1
60.87435	1.2
65.14362	1.3
70.06570	2.0
70.13413	4.3
84.08126	1.3
92.06425	1.3
94.93028	2.9
98.09692	31.6
98.97599	2.6
114.34685	1.1
133.52278	1.1
140.14316	3.3
156.13850	33.3
158.15411	100.0
180.64374	1.3
208.35493	1.3
219.01765	1.8
237.56287	1.3
247.91327	2.3
248.89644	6.2
349.09085	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	349.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51911	1.4
56.96554	1.5
66.31580	1.1
70.06600	2.8
70.24644	1.1
70.24968	4.4
72.87750	1.2
87.33914	1.3
94.93038	5.4
98.09698	38.0
98.97607	2.3
101.00931	1.7
109.10129	1.4
140.14360	3.2
143.01936	1.4
156.13857	40.0
158.15417	100.0
179.05389	1.2
245.92885	1.2
247.02966	1.9
247.91379	2.6
248.89621	6.3
251.48264	1.2
349.08878	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	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.6
55.01865	3.5
55.05515	21.9
57.03432	5.0
57.07075	8.0
65.03941	4.6
67.05511	32.3
67.37578	2.3
67.43145	2.5
68.67580	2.7
69.03434	6.7
69.07068	24.8
69.54162	2.9
69.87000	4.8
69.87415	7.6
71.04993	9.1
79.05507	36.8
81.07066	51.4
83.04943	3.5
83.08624	9.4
85.06583	2.6
91.05489	54.1
93.07053	77.0
95.04982	28.1
95.08618	44.9
97.06547	9.9
103.05463	5.3
105.07041	100.0
107.08600	57.8
109.06541	18.5
109.10172	44.4
111.08116	2.5
115.05411	4.5
116.06239	2.9
117.07021	15.8
119.08591	83.9
121.06519	7.1
121.10152	76.1
123.08079	31.1
123.11743	5.7
128.06212	8.3
129.06976	16.6
130.07793	7.0
131.08572	48.6
133.10132	51.1
135.08084	11.2
135.11708	22.3
137.09647	3.6
141.07059	3.3
142.07787	11.5
143.08568	32.9
144.09335	8.5
145.10130	59.5
147.08072	4.7
147.11670	20.3
149.09642	13.4
149.13274	4.9
150.32777	2.6
155.08571	7.9
156.09299	12.7
157.10146	44.5
158.10905	4.4
159.08041	5.2
159.11702	24.2
161.09633	20.5
161.13258	10.2
166.07768	2.5
167.08560	8.2
168.09383	4.5
169.10150	20.0
170.10896	3.5
171.11667	21.6
173.09688	5.5
173.13254	16.5
175.11220	6.1
175.14847	13.2
179.08578	11.3
179.14302	38.7
181.10158	9.7
182.10933	4.2
183.11696	15.9
185.09602	2.8
185.13239	16.1
187.14832	25.7
189.12683	3.3
193.10126	3.9
194.10936	10.2
195.11732	13.2
196.12436	3.9
197.13269	15.7
199.14825	13.4
201.12834	3.0
201.16216	2.6
207.11636	3.8
209.13281	21.5
211.14789	8.0
213.12816	4.7
213.16408	4.9
215.37390	2.4
219.11610	3.6
223.14769	7.1
225.12708	3.0
225.16393	6.0
227.14333	8.2
227.18140	3.4
235.14824	3.6
237.16469	3.4
239.17953	8.8
251.18015	4.9
253.19519	5.7
255.17450	2.6
266.20425	3.5
275.20135	7.5
291.21121	3.8
293.18671	5.4
293.21527	2.9
349.25064	32.9
349.27563	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
51.02352	1.5
53.03939	4.9
55.01879	12.4
55.05272	2.2
55.05517	30.2
56.96560	2.7
57.03445	17.5
57.07077	4.1
59.04974	2.5
65.03941	4.6
67.05513	48.8
69.03429	3.8
69.06732	3.0
69.07076	34.6
69.96716	6.5
70.06593	5.9
71.04985	5.0
72.08157	2.2
75.85750	1.8
79.05499	55.1
81.03416	4.9
81.06592	2.9
81.07063	59.7
83.04994	8.4
83.08637	12.4
84.04499	1.8
84.08131	7.6
85.06559	2.6
86.09717	2.7
91.03954	1.9
91.05488	51.1
93.07050	48.2
93.83913	1.5
95.04977	12.3
95.08613	31.3
97.06538	19.0
97.10173	9.4
98.20772	2.0
99.04459	1.9
103.05491	3.3
105.04523	2.4
105.07042	67.6
107.04974	16.8
107.07885	3.7
107.08605	61.6
109.06545	10.5
109.10162	17.9
110.07206	2.1
111.08098	3.0
113.06029	1.8
113.09612	1.8
117.07052	20.2
119.04884	2.1
119.08601	37.8
120.08101	3.1
121.06495	8.3
121.10156	20.2
121.88351	1.8
123.04485	2.3
123.08057	7.6
123.11734	2.4
125.09640	9.0
128.06194	1.8
129.06979	5.5
130.07797	3.6
131.08582	30.7
133.06497	2.8
133.10146	35.3
135.08057	5.7
135.11694	9.7
137.09627	3.1
141.06963	3.5
143.08598	8.6
145.10136	57.3
147.08072	2.1
147.11699	25.9
149.09631	21.5
149.13306	4.0
151.07530	2.5
151.11229	2.9
153.26741	1.6
155.08540	5.5
156.09380	2.5
157.10118	8.4
159.08029	2.3
159.11713	25.0
161.09610	2.7
161.13277	9.8
163.11165	13.3
169.10046	3.8
171.10364	2.5
171.11659	10.7
173.09541	2.2
173.13268	9.6
175.11186	2.5
177.12775	4.5
179.14297	3.9
183.11714	8.5
185.13211	3.6
187.14815	4.0
189.11295	6.8
191.14323	2.7
197.13318	6.2
199.14795	2.7
201.12712	2.5
219.13887	1.9
229.19559	5.9
239.18001	14.3
247.20609	4.7
257.19009	40.8
275.20084	66.6
276.20410	2.0
277.13147	1.7
293.20978	2.8
306.24310	3.7
331.22708	6.3
348.64816	1.9
349.19788	27.1
349.23755	100.0
349.28183	3.2
350.18655	9.5
350.23553	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01875	5.0
55.05510	16.1
56.96553	1.1
57.03195	1.3
57.03442	16.7
57.07062	4.4
61.02922	2.6
65.03934	1.6
67.05504	30.6
69.03415	3.1
69.07071	16.3
70.06593	3.6
71.04980	2.9
71.52159	1.5
73.02905	1.4
77.03934	1.3
79.05493	25.8
81.03426	1.2
81.06594	1.8
81.07056	33.4
83.04990	7.2
83.08629	4.8
84.08136	4.4
85.02902	2.8
85.06532	1.1
86.09691	1.7
91.05477	28.0
93.07044	32.6
93.07639	1.6
95.04980	9.2
95.08608	21.2
97.02884	2.6
97.06537	3.6
97.10162	3.1
103.05460	1.7
105.07032	29.4
107.04953	8.6
107.08588	20.2
109.06532	12.3
109.10152	10.3
111.08050	1.8
117.07018	9.3
119.07816	1.6
119.08589	19.1
120.08099	1.6
121.06517	14.1
121.10126	12.8
123.08080	6.7
123.11701	3.7
125.09653	1.4
127.03943	1.4
129.07007	4.1
131.08568	19.4
133.06491	3.1
133.10141	20.3
133.44084	0.9
135.08043	5.1
135.11656	5.0
137.09622	2.8
140.09193	1.1
141.07013	1.9
143.08519	4.4
144.74489	1.0
145.06494	2.5
145.10130	15.7
147.08043	3.4
147.11681	11.0
149.09599	6.6
149.13261	3.1
151.11174	4.1
155.08539	3.1
157.10124	4.6
159.08049	2.7
159.11708	11.4
161.09642	3.9
161.13254	5.6
163.11182	6.5
165.12723	1.2
169.10144	1.8
171.11667	3.4
173.09627	3.7
173.13242	5.6
174.98991	1.6
175.11203	2.3
175.14745	1.4
177.12752	3.2
183.11688	4.5
185.13229	1.9
187.11133	2.7
187.14774	1.6
191.14285	1.7
197.13315	2.3
201.12770	1.8
203.88945	1.1
207.13821	2.9
215.14317	1.6
215.17877	1.5
217.15927	1.2
219.13795	4.0
219.17342	1.7
229.19470	2.0
239.17928	4.6
247.20557	4.0
257.19019	19.0
268.11380	2.1
275.20062	100.0
276.20508	1.1
293.21100	9.1
331.22894	1.5
349.13379	1.6
349.19839	6.4
349.23737	54.8
350.24036	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	ACTG toxin B
Peak:m/z	Relative Intensity
50.48479	4.6
53.03933	5.6
55.01862	10.9
55.05508	29.6
57.03429	6.9
57.07071	9.8
67.05508	67.8
69.07072	54.9
70.01163	17.4
71.04978	6.4
76.72951	4.6
78.98463	4.8
79.05087	4.4
79.05481	31.1
81.03021	5.1
81.03428	38.6
81.07060	66.3
83.04993	7.2
83.08631	11.3
84.08148	11.6
87.69334	4.3
91.05475	20.9
92.43947	4.5
93.07047	56.9
95.04394	5.2
95.04977	100.0
95.08608	64.7
97.06535	11.7
97.10194	6.6
105.07028	41.6
105.32451	5.0
107.08599	54.0
109.06506	17.2
109.10162	97.8
117.07028	9.0
119.08583	34.8
121.06516	10.0
121.10184	38.0
123.04427	65.5
123.08059	34.3
123.11679	17.6
125.05959	9.5
125.09586	7.3
131.08580	18.7
133.10097	21.3
135.08041	10.9
135.11717	35.6
137.05966	5.8
137.09589	6.8
141.05464	36.0
141.07008	5.6
143.08595	11.6
145.10085	18.1
147.08029	7.4
147.11642	22.0
149.09586	17.9
149.13228	16.5
151.07637	5.3
155.07054	6.9
155.08557	6.2
157.10127	12.8
159.08049	9.0
159.11763	8.1
161.09579	11.1
161.13281	6.8
163.14734	7.2
165.09116	5.3
167.08493	7.0
169.08649	5.9
171.11688	9.1
173.09541	10.3
173.13225	8.9
175.11133	5.7
179.14369	24.7
183.11755	6.9
185.09698	5.7
185.13249	12.5
187.11235	6.8
187.14772	10.0
189.16393	30.4
191.14307	6.6
191.17986	37.5
193.10147	5.4
195.11795	7.8
197.13451	6.4
198.75238	5.4
201.12679	8.6
201.16373	5.2
203.10771	6.8
203.17867	6.8
211.14873	8.6
213.12766	10.1
221.11748	14.0
227.81075	5.1
231.13737	15.6
249.14679	10.6
275.16400	10.0
275.19885	12.5
285.22186	4.7
295.20511	49.7
313.18326	6.7
313.21649	71.8
331.13702	7.3
331.22577	45.3
349.19720	6.5
349.23627	20.3
349.27377	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	2.0
53.03938	7.9
53.37851	1.6
55.01870	10.8
55.05514	39.2
56.96576	2.3
57.03441	21.8
57.07071	3.6
59.04990	2.2
65.03938	5.0
67.05509	81.1
68.04989	1.7
69.03423	4.3
69.07069	29.6
70.06583	4.5
70.63196	5.4
71.04994	6.0
77.03928	3.7
79.05495	95.2
80.06245	2.0
81.03432	10.7
81.06592	3.9
81.07059	69.2
83.04984	20.2
83.08604	13.7
84.08134	4.1
85.01137	4.8
85.06545	2.5
86.00655	2.1
91.05480	74.9
93.07047	73.9
94.44963	1.6
95.01330	3.7
95.04967	15.7
95.08607	45.7
97.06522	10.8
97.10152	10.0
101.25527	1.7
103.05495	4.2
104.06270	2.4
105.04556	2.5
105.07038	100.0
106.07365	19.3
107.04958	22.9
107.08598	53.3
109.06532	9.8
109.10151	25.7
110.07125	1.9
111.08076	5.6
113.04243	3.8
113.06049	1.9
115.05495	2.7
117.07018	27.9
119.08580	58.2
120.08080	9.2
121.06502	6.5
121.10149	24.1
123.08046	8.3
123.11720	5.3
125.09638	10.9
129.07002	7.4
131.08554	28.0
133.10141	62.4
135.08063	13.6
135.11684	9.5
137.09618	5.8
141.06984	3.8
143.08571	5.2
143.56139	1.6
145.06580	1.9
145.10135	25.3
147.11688	28.1
149.09639	28.3
149.13290	4.4
151.11160	2.2
155.08507	2.9
156.08420	6.0
157.10138	5.6
159.08075	2.6
159.11714	19.9
161.09669	2.0
161.13268	12.5
163.11171	5.5
163.14813	5.1
169.10072	3.7
169.12201	2.9
171.11705	6.4
173.11873	3.8
173.13266	13.2
174.09106	4.6
175.14825	2.6
177.12715	3.4
179.12874	1.7
179.14320	7.4
181.10034	2.2
183.11674	4.3
185.13136	2.7
187.11090	2.7
187.14853	3.6
189.11243	5.8
197.13210	4.8
209.15396	4.1
211.14764	2.7
219.13838	2.0
229.19516	6.6
233.15465	2.1
239.17952	4.9
247.20613	5.0
257.19043	13.0
267.06909	2.8
275.20068	82.3
349.12408	2.3
349.18481	18.5
349.23721	88.4
349.26819	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	349.0899
Annotation	Pibocin B
Peak:m/z	Relative Intensity
55.01855	3.7
55.05519	4.4
56.05025	8.9
56.96550	3.4
57.03441	5.9
60.04514	14.2
67.05501	4.8
68.05021	3.6
69.03418	9.4
69.07058	3.6
70.06599	38.1
71.35329	4.5
72.08157	20.9
73.02926	4.0
74.06082	8.7
83.04981	4.0
83.06072	3.4
84.04506	23.4
84.08140	27.8
85.02890	12.3
85.04832	3.9
86.09715	85.6
87.10023	8.8
88.03980	6.8
90.05560	26.3
91.05504	7.0
93.07047	3.3
95.06094	5.5
96.04488	5.5
97.02874	12.0
98.06062	11.2
98.97584	19.5
102.05541	5.9
105.07088	3.1
106.76197	3.5
110.07150	13.9
110.97562	3.6
112.08723	3.4
113.10819	2.9
114.05499	10.0
115.03978	3.0
115.05885	7.1
116.98585	3.3
119.04958	4.1
120.08125	7.7
121.06516	16.5
122.36722	3.7
126.05526	10.7
128.98631	5.0
129.10239	15.5
130.05022	4.6
130.06532	14.6
132.10184	6.9
133.10565	3.1
136.07542	10.4
137.05981	3.2
144.06544	5.7
146.05936	3.9
147.04427	7.2
151.07428	3.4
154.04895	3.9
157.07628	4.2
158.06029	3.4
159.09181	5.6
163.02794	3.5
173.12964	4.0
175.08748	7.2
189.08754	7.9
190.09024	8.3
201.00748	4.4
201.12296	6.8
202.12645	9.7
203.08333	3.2
206.04631	3.1
213.29001	3.3
216.56326	7.3
217.08231	7.6
218.08522	9.5
219.01836	16.6
220.06862	19.7
224.83998	3.4
229.11783	3.7
233.09572	7.1
237.02792	21.4
243.07651	5.0
260.10291	3.8
266.60681	3.7
291.79745	3.4
307.07028	6.6
314.10666	3.6
341.24756	3.0
348.94333	5.4
349.08890	100.0
349.13950	20.6
349.17749	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	349.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.3
56.05018	1.4
57.03411	1.7
62.14687	1.6
68.05030	8.5
69.03424	4.9
70.06577	5.3
79.05480	5.5
81.07046	5.6
83.04941	2.4
84.04509	57.0
84.08135	4.2
85.02917	15.6
86.06085	3.7
86.09709	2.8
91.05483	4.3
91.17651	1.6
93.04531	31.4
93.07072	2.7
95.08601	3.7
96.04470	3.4
98.09637	2.2
98.20730	4.5
101.07155	3.1
102.05537	5.2
105.07018	6.3
106.06544	6.4
110.06062	2.5
112.03979	18.8
119.08564	2.7
120.08092	2.5
121.04007	15.5
121.06512	11.2
121.10181	3.5
122.06811	2.2
123.05550	12.2
124.07551	3.3
124.11227	2.8
128.03452	1.8
130.05008	100.0
131.08554	4.7
132.08102	2.8
134.06018	21.9
134.09605	3.4
136.06186	9.6
137.08340	12.0
139.05034	59.7
140.03416	6.8
144.08098	2.0
145.07631	3.1
147.07652	65.2
148.11223	19.2
152.06920	1.6
157.06125	7.7
161.07117	3.7
166.12291	34.5
167.04532	46.0
168.94081	1.5
173.07149	2.3
174.07881	11.5
174.09174	3.2
175.12335	2.4
176.08289	30.9
176.10707	91.3
184.07195	36.9
188.10817	8.2
194.11797	3.4
200.07036	1.5
202.10991	4.4
203.11798	58.2
205.13358	13.1
214.12291	4.4
218.12975	10.1
219.13684	26.6
220.14481	10.1
241.13484	2.1
242.11736	5.0
243.14944	2.8
260.16443	3.0
271.14362	15.2
272.12637	1.7
286.15591	2.1
287.13849	3.4
288.17053	6.0
314.14978	17.1
315.13361	8.1
322.17612	4.1
332.15982	29.4
349.13931	2.7
349.18311	32.2
350.19153	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	348.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51750	1.5
55.01868	1.7
55.05511	9.2
57.03432	5.7
59.04995	3.5
60.19101	1.5
67.05507	51.4
69.03432	2.5
69.07071	4.3
70.06598	2.3
71.04977	2.4
71.32472	2.2
74.88737	1.4
76.71256	1.4
79.05476	4.8
81.07063	16.9
83.08614	6.4
84.04520	5.0
85.02908	4.1
91.03946	1.8
91.05493	4.5
93.07042	5.9
95.04994	1.9
95.08609	8.7
97.02893	2.5
97.06578	2.1
97.10118	2.3
105.07019	3.3
107.08612	3.6
109.06524	1.7
109.10162	58.9
111.08119	2.6
119.08613	7.2
120.08144	1.8
121.10146	2.0
123.11649	2.0
125.09650	2.4
126.05489	1.8
131.08559	3.8
133.10161	2.4
136.06177	3.5
137.09654	4.5
145.10095	3.0
155.10672	27.4
173.11745	100.0
215.21605	1.8
267.11392	2.2
277.21634	4.3
295.22662	5.4
345.23981	1.8
348.22562	2.4
348.31137	4.7
349.23868	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96298	1.3
56.96570	13.3
62.65225	1.1
67.05476	1.0
67.64336	1.0
68.05023	1.1
70.05400	2.2
70.05798	2.9
70.06590	3.4
72.08170	2.4
72.96029	1.1
84.04463	1.4
84.08167	1.9
84.96040	9.5
85.02909	1.4
86.09715	4.5
97.02914	2.0
97.96775	1.2
98.09705	8.9
98.97591	75.5
110.97576	39.9
112.99161	6.9
115.00671	1.1
116.88742	1.1
116.98624	13.2
124.99138	4.2
126.97076	1.6
127.00702	14.0
128.98601	15.5
131.00127	3.0
134.99707	2.0
136.99054	1.0
139.07635	1.0
140.98613	3.8
143.00200	6.3
144.98087	2.0
145.01720	25.4
146.99643	3.1
147.04402	1.0
152.98654	1.3
155.00166	1.7
156.13835	9.0
158.15421	26.8
158.99681	19.9
159.02734	1.3
161.01230	5.1
163.02760	11.0
169.01765	3.6
170.99649	10.1
171.03214	1.1
174.13245	1.4
177.00729	9.8
182.99657	2.1
187.02769	8.8
189.00746	4.0
189.04294	2.4
199.02762	1.6
201.00652	15.5
203.02330	1.8
205.03897	5.1
211.02740	2.2
216.56416	1.2
219.01785	91.1
223.02800	4.4
223.04771	1.1
229.03810	7.4
237.02838	66.7
241.03905	2.8
242.03465	1.4
247.04916	3.2
255.03896	1.9
271.04718	1.7
289.05969	54.1
303.07465	1.3
307.07016	100.0
330.08591	2.3
349.08130	24.0
349.22653	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	348.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01866	4.3
55.05270	1.8
55.05514	24.7
57.03447	7.3
57.07077	3.8
59.04989	1.7
65.03943	1.7
67.05509	69.9
69.03428	3.6
69.07070	12.6
70.06593	2.5
71.04984	4.5
71.08638	9.4
71.24843	1.6
73.02901	1.2
73.56281	1.0
79.05495	18.5
81.03410	3.1
81.07059	47.4
83.04986	5.3
83.08624	19.3
84.04057	1.5
84.04517	15.1
84.08134	3.4
85.02897	4.8
85.06549	3.6
86.09715	2.2
91.05473	11.8
93.07050	25.3
95.04951	2.9
95.08608	19.6
97.02882	1.9
97.06535	4.8
97.10185	13.6
99.04455	2.6
99.08089	8.7
103.03952	5.2
105.07040	12.1
107.08602	14.2
109.06522	3.3
109.10159	53.8
110.06033	1.2
111.04510	1.1
111.08084	5.8
117.07018	4.1
119.08598	9.0
121.06499	4.0
121.10144	7.2
122.09669	1.2
123.08083	2.6
123.11703	4.3
125.09647	12.5
126.05499	3.0
127.03904	3.4
129.07005	1.9
131.08554	4.2
133.10115	10.4
135.08060	2.6
135.11722	7.3
136.06206	1.3
137.09636	6.1
138.08577	1.1
139.11217	2.2
141.12788	1.3
145.04926	1.4
145.10130	4.2
147.11687	4.7
149.09581	1.3
149.13266	12.2
151.11209	6.2
153.09134	2.0
155.10683	26.1
157.10045	2.0
159.11700	5.2
161.13235	4.6
163.11194	3.7
165.12735	1.6
167.14320	1.4
168.38065	1.0
171.10172	1.6
171.11700	1.7
173.11745	100.0
177.12732	4.1
179.14313	4.5
181.12195	1.6
185.13124	1.6
186.07581	2.0
189.11227	20.0
189.12709	0.8
190.14369	2.9
193.12164	1.3
193.15678	1.3
195.13814	33.2
204.08618	1.7
209.09195	1.3
213.14854	17.7
241.19499	2.6
249.22198	2.3
259.20636	3.2
277.21643	40.7
291.52643	1.2
295.22702	23.9
330.20764	1.4
348.12936	6.2
348.17822	2.1
348.22101	2.6
349.23538	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1808
Annotation	Cephasugine
Peak:m/z	Relative Intensity
51.02370	0.4
53.03939	1.1
55.01867	1.4
55.05495	0.4
57.03440	1.2
65.03941	0.3
67.05495	1.4
68.05038	0.5
69.03423	0.4
70.06590	0.6
71.04997	0.4
71.32375	0.7
76.44122	0.3
78.04702	0.5
79.05495	9.0
80.05012	1.0
80.06276	3.9
81.03425	3.1
81.07080	1.5
82.06567	0.5
84.04514	0.4
85.02911	0.5
91.05486	1.9
93.05784	0.4
93.07064	0.8
94.06569	0.7
95.04977	2.0
95.08611	0.7
96.04495	0.7
96.08122	0.5
97.02880	0.5
97.06527	0.7
98.06055	2.5
99.06832	0.3
99.08099	0.4
103.05477	4.9
104.06260	5.3
105.07035	100.0
106.06602	0.5
106.07372	0.8
107.04943	0.6
107.08592	0.8
108.08169	0.6
109.06519	1.0
110.06050	0.4
112.07590	0.6
117.07008	0.8
119.08561	0.7
120.08109	1.6
121.02892	0.9
121.06528	0.8
121.10146	0.5
122.06043	0.3
122.09702	1.6
123.04401	0.6
124.07610	1.0
125.08356	0.8
126.05610	0.4
129.06999	0.3
130.06482	0.5
131.08617	0.4
132.08116	0.6
132.09094	0.3
133.10155	0.4
134.09641	3.6
135.08093	0.4
136.06189	0.7
136.07607	0.9
137.05994	0.6
138.09160	0.6
139.03937	0.4
142.08632	1.1
144.06523	0.4
145.10040	0.3
146.09688	0.3
147.11694	0.4
150.09148	4.3
152.07065	0.3
155.07129	0.5
156.10231	0.5
157.07329	0.4
160.11192	2.0
162.09216	0.5
164.10719	0.5
170.11844	0.4
172.11331	0.4
174.09142	4.6
182.08160	1.1
184.11250	1.2
186.07576	0.5
186.12762	0.4
192.10233	0.5
192.34975	0.3
198.07640	0.9
200.10718	1.0
202.12315	1.8
204.10275	0.4
210.07649	0.9
214.12337	0.7
218.11906	0.5
240.14018	2.7
258.14920	2.1
272.12866	1.3
275.19998	0.5
279.04199	0.3
302.13797	1.6
330.17053	2.8
348.18060	44.8
349.18994	0.7
349.23642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1767
Annotation	Asp Thr Leu
Peak:m/z	Relative Intensity
55.05502	1.5
56.05040	10.8
57.03419	2.8
57.50882	1.3
58.06605	7.2
59.06114	1.5
59.36282	1.3
70.02966	6.7
70.06566	1.5
70.46799	1.1
72.08146	1.5
74.06084	52.4
80.05048	1.5
82.06592	7.5
83.06100	1.6
84.04507	33.9
84.08123	3.6
85.04045	1.7
85.19637	1.2
86.06066	1.7
86.09714	64.9
88.04003	21.6
91.05479	1.3
98.02398	1.7
98.06071	3.0
100.07610	15.2
101.07133	2.2
102.05524	1.2
111.05593	6.6
112.03979	4.1
112.11276	2.7
114.05501	1.6
119.88921	1.3
120.29739	1.2
121.06499	1.8
124.06040	1.2
124.11211	1.6
125.07123	2.3
126.05527	60.7
129.06616	15.2
130.04965	2.1
131.45952	1.1
132.10214	27.9
136.03909	2.7
136.06200	1.3
141.13847	4.7
142.42131	1.3
143.08147	1.5
143.68582	1.3
144.06570	100.0
153.06561	4.6
154.04994	5.3
155.48845	1.2
158.11729	1.2
169.13345	3.3
170.09273	4.1
171.07683	14.1
187.14389	3.5
187.94148	1.3
189.08722	90.1
197.12801	5.7
198.08803	2.5
199.07191	11.9
200.09175	1.9
204.42831	1.2
215.13885	1.8
217.08211	87.5
218.08607	1.6
233.14951	9.0
243.13376	5.0
284.16052	9.1
312.15427	4.5
330.16626	17.5
348.17667	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	348.1806
Annotation	Cephasugine
Peak:m/z	Relative Intensity
50.00965	0.3
51.02383	0.7
53.03934	1.1
55.01866	0.5
55.05513	0.6
56.96560	0.4
57.03437	0.8
65.03942	0.4
67.05511	1.8
68.05023	0.6
69.03436	0.8
69.07074	0.4
70.06598	0.7
70.45058	0.9
71.04977	0.4
77.03926	0.5
79.05499	11.0
80.05022	0.9
80.05827	0.2
80.06281	6.4
81.03423	3.6
81.07063	1.4
82.06606	0.4
83.04949	0.4
83.92362	0.3
84.04509	0.9
84.08147	0.9
85.02920	0.5
91.05483	2.0
93.05792	0.5
93.07058	1.3
94.06556	0.8
95.04976	2.3
95.08604	0.7
96.04504	0.5
97.02905	0.6
97.06530	0.6
98.06065	2.3
99.06812	0.4
103.05465	4.7
103.49036	0.3
104.05621	0.5
104.06265	5.0
105.07037	100.0
106.06588	0.8
106.07342	0.7
107.04967	0.6
107.08593	0.6
108.04510	0.4
109.02933	0.4
109.06530	1.3
109.10188	0.7
109.78091	0.3
110.06083	0.6
117.06985	0.6
120.08119	1.8
121.02873	0.8
121.06539	0.6
122.09693	1.6
124.07589	1.4
125.08385	0.8
132.08099	0.4
134.09659	1.9
136.06177	0.5
137.06006	0.7
138.05508	0.4
138.09134	0.6
139.03902	0.4
142.08685	0.8
143.09441	0.6
146.09610	0.6
150.09149	7.4
155.07025	0.4
156.10219	1.3
160.11211	1.7
162.09152	0.9
169.43239	0.3
173.11882	0.4
174.09145	6.5
176.10730	0.4
180.06609	0.5
182.08125	2.0
184.11261	1.3
192.10292	0.6
198.07584	0.4
198.12845	0.7
200.10730	0.6
201.30013	0.3
202.12283	0.7
214.12573	0.3
218.11865	0.4
222.11179	0.4
228.08684	0.5
228.14052	0.3
229.14470	0.4
230.11844	0.8
240.12111	1.3
240.13875	2.1
244.13397	0.4
258.14853	2.9
272.12833	1.2
275.19717	0.3
290.13287	0.4
300.15927	0.4
302.13876	5.2
330.17105	1.6
348.18069	36.6
349.18259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
55.01875	1.5
55.05508	5.2
56.05039	2.2
57.03436	2.2
57.07073	1.5
58.99599	0.8
60.04531	1.1
60.05642	0.6
61.02919	2.1
67.05523	2.3
68.05022	0.6
68.99791	2.3
69.03436	4.3
69.07069	2.0
70.02595	0.6
70.02956	6.5
70.06596	14.6
71.04990	1.2
71.06934	0.8
71.27142	0.5
72.04526	3.0
72.08156	7.9
73.02924	1.8
73.06554	4.5
74.00649	0.5
74.06097	1.1
79.05501	1.9
80.05013	1.1
81.03418	7.9
81.07058	2.5
82.02949	5.0
82.06587	2.0
83.03733	0.6
83.04993	1.7
84.04506	5.3
84.08147	13.0
85.02911	11.0
85.08496	0.9
86.09705	9.8
87.00822	6.3
88.03992	1.7
91.05481	2.7
93.07055	1.9
95.04970	0.8
95.06094	1.1
95.08603	1.3
96.04493	1.7
96.82253	0.5
97.02901	3.5
97.06519	0.6
98.06080	2.3
98.09700	2.1
99.04448	1.6
100.02220	0.5
100.04003	1.1
100.07629	1.6
101.07149	0.9
102.01875	0.5
102.05524	0.7
103.03949	7.6
103.05472	1.1
105.01865	2.6
105.07025	2.1
106.06556	0.7
107.04990	0.7
107.08543	1.0
108.04469	1.3
109.02885	8.0
109.05280	0.9
109.06568	0.5
110.06036	0.6
110.07171	4.7
112.03960	1.0
112.07611	1.2
112.08759	1.2
114.05543	1.4
116.07114	2.1
117.07018	1.1
119.04939	1.4
120.08112	7.5
121.06508	3.6
121.08432	0.6
122.02758	0.8
122.06075	0.6
124.07595	100.0
126.05529	3.4
127.03909	4.6
129.01842	3.6
129.10246	6.5
130.04973	0.9
130.06564	0.5
130.08632	0.5
131.08643	0.6
132.01163	0.8
133.06519	0.6
133.10144	1.9
135.04480	0.6
136.06184	1.1
136.07581	5.0
137.05927	0.5
140.14441	0.5
142.08640	29.4
143.08421	0.5
143.11902	0.5
144.06589	0.8
145.05002	1.3
145.10143	1.0
147.02899	1.3
152.07097	1.5
155.08316	0.5
156.07730	1.4
157.08014	0.5
159.02895	1.0
159.11232	0.5
163.03960	0.7
166.08646	10.0
171.02946	0.7
172.04279	0.6
184.09723	1.3
187.14336	0.6
189.03954	1.7
190.08641	0.5
194.44455	0.5
202.08850	0.6
208.09743	1.2
226.10725	0.7
235.10764	1.1
262.12814	1.6
266.12109	1.9
268.11673	0.7
304.13922	1.3
312.12488	3.4
330.11429	0.8
330.14056	0.9
331.12726	0.9
348.12845	50.3
348.69449	0.6
349.13641	1.2
349.17584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82089	1.4
65.13409	1.4
65.66537	1.5
69.63245	11.2
70.06593	3.0
72.84668	1.4
73.38914	1.3
80.24429	1.3
84.08163	2.6
86.09651	1.7
90.46069	1.5
98.09699	67.5
98.21551	1.4
98.97520	2.1
114.89301	1.8
129.10236	3.2
147.05054	1.9
156.13847	100.0
164.27434	1.5
170.69833	1.7
202.80948	1.6
217.07707	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.1
52.78199	0.2
53.03952	0.5
55.01870	0.3
55.05518	0.3
56.05038	0.7
56.96581	0.2
57.03436	0.3
58.06601	0.3
60.04526	0.7
61.02925	0.3
61.04820	0.1
67.05524	0.2
68.05033	1.8
69.03432	3.4
69.07072	0.2
70.01556	0.6
70.06603	1.6
71.04993	4.8
72.08156	1.6
73.02923	1.3
74.06085	1.4
80.05050	0.2
81.03418	0.7
83.04992	0.2
83.06104	0.4
84.04506	2.4
84.08148	0.9
85.02917	1.5
86.06064	0.3
86.09707	2.9
87.05595	0.2
87.10057	0.6
88.04004	0.5
91.03982	0.3
96.04495	3.5
97.02900	2.6
98.06047	0.3
98.09721	0.2
98.21414	0.2
98.97598	0.6
99.04436	0.2
101.07140	0.5
102.05546	0.4
104.05353	0.2
105.07075	0.2
106.62927	0.1
109.02872	0.4
110.06033	0.4
110.07158	0.5
113.91085	0.2
114.05534	100.0
115.05871	0.5
116.87483	0.2
117.74221	0.2
120.08115	0.3
121.06519	0.7
126.05515	1.1
126.37642	0.2
127.03918	1.0
128.10732	0.3
129.06587	0.1
129.10237	0.3
132.10229	0.8
133.06473	0.4
133.10583	0.2
136.06175	0.2
144.06621	0.3
145.04970	0.6
148.06096	0.3
151.07550	1.3
154.05083	0.2
156.06578	1.2
171.07664	0.4
173.12874	2.6
174.14891	0.6
175.15295	0.4
189.08691	0.9
201.12332	1.8
216.56238	0.5
217.06467	0.5
217.08209	0.5
217.10068	0.3
219.01779	0.4
234.95325	0.2
237.02858	0.3
240.08600	0.2
312.10858	0.2
330.11960	1.3
330.18558	0.5
347.62363	0.2
348.12860	6.7
348.19415	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	34.0
57.03432	6.4
60.78706	3.5
67.05505	93.3
69.03431	4.7
69.07076	32.7
70.01759	10.7
70.02167	7.4
70.06578	4.7
71.04968	5.9
78.51488	3.0
79.05499	40.7
81.07056	63.3
83.04970	6.7
83.08621	22.6
91.05492	33.9
93.07050	38.6
95.04950	6.4
95.08611	30.4
97.06538	6.5
97.10164	25.7
99.08051	7.8
105.07034	26.4
107.08601	46.1
109.06567	5.3
109.10161	76.8
111.08053	8.3
117.07056	6.5
119.08564	19.2
121.10169	13.3
123.08118	3.9
123.11620	4.4
125.09614	19.7
131.08592	11.2
133.10139	19.3
135.08110	5.7
135.11679	9.6
137.09633	5.0
145.10091	4.2
147.11678	7.6
149.09654	12.5
149.13252	15.7
151.11159	3.9
155.10666	47.5
159.11702	13.2
161.13104	3.6
163.11234	6.7
171.11668	5.0
173.11745	100.0
173.13220	7.6
177.12781	6.6
189.11266	21.5
189.12743	4.7
195.13818	30.7
213.14816	20.2
239.18025	4.6
257.19263	8.9
275.20074	80.5
275.22473	3.1
293.21228	17.1
366.66473	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2219
Annotation	(+)-chimonanthine
Peak:m/z	Relative Intensity
53.03929	4.5
55.05500	14.6
57.03431	7.3
57.07080	5.1
59.04998	8.0
67.05521	17.3
69.03426	11.2
69.07064	5.4
70.06579	7.7
70.84405	7.9
74.97698	3.8
79.05508	20.7
80.23960	3.9
81.07060	30.1
83.04969	10.0
84.08149	8.3
85.02875	5.7
85.06553	6.4
91.05473	27.5
93.07057	47.7
95.04993	19.0
95.08607	13.9
97.05259	3.5
97.06532	8.6
98.21376	4.2
103.05463	4.1
105.07034	34.6
106.35536	3.4
107.04998	3.9
107.08598	38.3
109.06504	17.3
109.10204	19.5
109.49758	3.5
111.08018	3.8
112.08749	3.5
117.05616	3.0
119.08559	15.0
121.06493	17.1
121.10161	24.7
123.04395	4.2
123.08102	30.4
125.05982	17.1
126.98447	3.4
128.06226	3.9
129.11600	3.8
130.38953	3.5
131.08548	23.8
133.06511	10.3
133.10132	12.9
135.08051	12.3
136.79343	3.4
137.05911	4.0
137.09641	4.3
139.07544	6.9
143.08589	7.5
145.10118	9.0
147.08047	5.5
147.11716	4.6
149.09619	30.6
151.07550	85.0
151.08687	6.6
157.10136	7.7
158.07208	3.4
159.08012	5.1
159.11697	6.7
161.09579	7.7
165.09160	8.9
167.10719	20.5
171.11674	9.7
173.09705	5.8
173.13266	8.3
174.75949	3.3
177.09097	11.8
181.10170	3.7
189.12709	25.2
199.14725	5.1
207.13789	45.6
215.14346	4.6
221.15407	3.9
233.15285	4.7
237.14894	11.2
255.14030	4.6
266.10565	3.6
273.14896	11.1
311.20279	6.5
329.21109	14.3
347.18356	6.6
347.22180	100.0
356.96011	3.3
366.60019	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	347.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77112	1.3
56.96563	5.4
61.03844	1.7
65.46481	1.3
70.50446	3.1
70.98124	1.2
73.72333	1.4
77.01911	1.3
82.07140	1.5
83.84375	1.3
84.08148	7.4
85.62012	1.3
98.09698	69.4
98.97588	4.6
101.94988	1.7
110.97543	2.5
112.89602	9.1
128.98589	1.9
129.10266	2.7
139.91487	1.8
156.13846	100.0
158.99629	1.6
245.01921	2.3
279.23709	1.5
350.89188	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90977	2.9
52.38974	3.0
53.82405	3.2
55.05518	17.4
57.03423	4.1
57.17406	3.2
59.04994	4.0
66.63769	2.7
67.05508	55.8
69.07069	7.4
70.06599	15.4
70.95928	3.5
70.96267	5.6
71.05000	5.6
79.05491	12.7
81.07061	28.0
83.04974	4.6
83.08612	12.3
84.08154	6.5
85.06567	5.8
91.05473	18.0
93.07043	11.6
95.04998	3.7
95.08611	11.2
97.10161	8.8
98.97591	3.8
105.07069	15.5
107.08575	8.8
109.10154	72.7
117.07054	6.0
119.08566	14.1
120.08064	4.8
121.06518	8.0
121.10158	6.2
122.09657	3.2
125.09634	7.8
129.99496	3.1
131.08554	8.5
133.10153	11.0
134.09659	3.3
137.09634	6.2
143.08571	4.5
145.10164	4.0
150.12801	6.9
155.10661	25.0
158.06857	2.9
159.11670	4.8
159.48227	3.1
161.03062	3.1
161.90443	3.1
163.07515	3.6
173.11752	100.0
175.07582	3.2
176.14349	3.3
189.11275	6.1
204.10971	4.6
230.19055	5.0
239.18016	4.1
242.40512	3.4
248.16451	4.7
263.17099	3.5
275.20132	16.1
293.20898	5.3
346.16721	8.4
346.20532	4.9
346.27567	26.2
347.26657	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	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13265	8.2
55.05513	44.4
57.03413	12.8
57.07064	13.5
67.05506	89.7
69.03412	8.5
69.07064	28.8
70.06599	40.6
71.52198	11.5
79.05489	47.8
81.03389	10.5
81.07054	94.9
81.10585	8.1
83.08612	23.8
84.08140	11.3
85.10180	8.7
87.68832	9.1
91.05467	51.6
93.07053	69.1
95.04965	25.0
95.08619	100.0
97.06530	9.0
97.10113	14.0
105.07035	38.7
107.08582	40.4
109.06511	10.0
109.10152	50.1
111.08101	13.5
113.09625	22.7
117.07018	9.0
117.59820	9.3
119.08552	31.7
121.06475	11.3
121.10162	46.5
122.09675	9.2
123.08114	10.3
123.11709	9.6
125.09628	24.0
131.08551	27.0
133.10106	32.4
135.11690	22.7
137.09647	11.9
139.11198	27.8
141.75526	8.4
143.08580	9.2
145.10085	14.6
149.09621	16.0
151.11218	12.0
157.10065	9.9
163.11122	12.0
167.10622	10.3
172.18120	8.6
173.11745	28.5
181.12173	10.0
185.11624	10.0
192.13824	9.7
209.11685	12.0
219.93785	7.6
264.26245	7.6
275.20078	23.6
293.21164	21.7
300.26367	11.0
328.26328	10.6
346.20172	11.4
346.27191	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	346.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84545	0.2
53.03931	0.3
55.01880	0.2
55.05511	2.6
56.05033	2.4
57.03441	0.4
57.05808	0.4
58.06592	0.6
58.99596	0.2
59.53748	0.2
60.04519	0.6
67.05495	0.5
68.05027	0.3
69.03439	0.9
69.07067	5.1
70.02937	0.2
70.06595	8.3
70.37256	0.6
71.05007	0.2
71.06929	0.4
72.08155	5.0
73.08469	0.3
74.06083	3.1
76.02216	0.2
79.05484	0.7
79.59399	0.1
81.03413	0.5
81.07035	0.3
82.06596	0.3
83.06109	0.4
84.04509	1.9
84.08146	10.0
84.90450	0.2
85.02902	1.8
85.08469	0.3
86.09706	100.0
87.05579	0.3
87.09528	0.2
87.10019	0.9
88.04001	0.7
91.05484	1.3
93.04558	0.2
93.07053	0.8
94.06565	0.2
95.04928	0.3
95.06064	0.3
95.08624	0.4
96.04473	0.2
96.08134	0.3
97.02901	0.6
97.06507	0.2
97.07674	0.2
98.06056	34.1
98.09682	0.4
99.06379	0.2
101.07148	0.5
102.05553	1.3
103.05466	0.3
104.05342	0.2
105.07030	1.0
107.04950	0.6
107.08619	0.4
108.08142	0.2
109.02898	0.3
109.06519	0.2
109.10165	0.2
110.06059	0.4
110.07166	2.8
110.09681	0.3
112.07601	0.3
112.08706	0.5
113.07120	0.3
114.09169	0.2
115.08665	0.4
116.07085	0.5
119.04937	0.9
119.08569	0.3
120.05304	0.3
120.06597	2.9
120.08073	2.0
121.06501	1.5
121.10090	0.4
122.02725	0.5
122.07140	0.3
123.04428	0.4
123.08096	0.3
127.03910	0.5
129.06702	0.2
129.10248	4.5
130.04997	1.3
130.06554	0.3
130.08649	0.2
131.08563	0.4
132.10187	0.2
132.94527	0.2
133.10165	0.2
136.06213	0.7
136.07570	0.8
137.09457	0.2
138.05550	0.2
138.09169	0.5
139.08626	0.2
140.07040	0.6
143.08527	0.4
143.11801	0.3
145.04953	0.4
145.10033	0.2
147.04416	2.5
147.11276	0.2
148.04785	1.1
148.05797	0.2
148.07594	0.4
149.04950	0.8
149.09654	0.3
150.05438	0.2
150.06624	0.3
152.14330	0.3
159.11438	0.2
161.09616	0.2
162.05675	0.3
165.05446	1.0
166.05846	0.6
166.08641	0.9
167.06003	0.4
167.09300	0.2
171.18645	0.2
173.12869	0.5
177.10266	0.2
178.06065	0.2
184.09595	0.3
187.14452	0.8
189.09018	0.3
195.08714	0.6
199.18060	29.4
200.18401	0.3
201.12402	0.2
202.01598	0.2
207.10136	0.5
207.13760	0.3
215.13901	3.4
215.18448	0.2
227.17545	16.2
228.17964	0.2
233.12614	0.3
233.14946	3.6
243.13380	0.6
248.13504	0.2
280.23303	0.2
284.11377	0.3
328.10300	0.3
328.22302	3.6
345.69272	0.3
346.11423	2.2
346.17581	0.4
346.22858	0.3
347.12958	3.0
347.16290	0.2
347.22098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.234
Annotation	Thr Leu Leu
Peak:m/z	Relative Intensity
55.05498	0.7
56.04795	0.7
56.05039	9.0
57.03424	0.7
58.06604	4.6
60.04544	0.6
68.05017	1.1
69.07064	1.5
70.06593	4.1
72.08145	2.0
74.06085	23.9
76.26957	0.4
79.05486	0.6
81.07040	1.3
82.06612	0.7
83.04993	0.7
84.04514	7.9
84.08157	4.4
86.06071	3.1
86.09712	56.4
87.05582	1.7
87.10043	0.7
88.04012	0.6
91.05466	1.1
93.07052	0.6
95.05003	0.7
98.06081	0.9
98.09703	2.4
98.20792	0.9
100.07621	1.0
101.07149	20.4
102.05524	0.8
110.07171	0.6
112.08730	0.4
120.08112	3.2
121.06524	3.7
122.09668	0.5
124.11245	1.3
126.09147	2.3
126.12823	1.9
129.10239	1.8
130.04887	0.4
132.10211	3.5
136.06125	0.5
138.09106	0.6
139.04668	0.4
142.12289	9.0
143.11810	6.9
148.07570	0.6
169.13419	1.2
170.06230	0.5
171.11174	0.5
187.14432	100.0
206.95941	0.5
215.13928	42.4
233.14958	1.0
245.18607	4.1
267.15881	0.6
328.22238	0.6
346.22757	1.9
347.19638	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	346.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47449	0.3
55.05508	1.4
56.05037	7.7
57.03425	1.0
58.06605	4.6
60.04533	0.5
67.05502	0.5
68.05024	0.5
69.03446	0.6
69.07075	6.0
69.13591	2.2
69.14026	1.2
70.02939	0.4
70.06596	6.5
71.06915	0.4
72.08167	3.9
73.04038	1.8
73.27940	0.3
74.02467	0.4
74.04399	0.3
74.06084	22.9
79.05478	0.5
81.07066	0.6
82.06559	0.5
83.06115	0.4
84.04508	6.8
84.04981	0.6
84.08147	5.3
85.02900	0.6
86.06082	0.7
86.09711	54.1
87.04487	0.4
87.05573	0.4
87.10040	0.4
88.04016	0.5
89.86118	0.3
91.05481	0.5
93.07084	0.8
96.04487	0.6
97.02933	0.7
97.06555	0.4
98.06065	12.6
98.09707	2.3
98.20777	0.5
100.07584	0.5
101.07148	20.2
102.05537	1.0
103.05482	0.8
105.07058	0.7
107.08591	0.7
110.07173	0.8
110.09695	0.8
111.45900	0.4
113.07149	0.4
116.07107	0.4
116.47348	0.3
119.08155	0.8
120.08106	2.9
121.06522	5.0
121.10217	0.4
122.06014	0.6
122.09669	1.1
124.07624	0.4
124.11244	2.3
126.09164	2.2
126.12807	2.0
127.03976	0.3
129.10217	2.1
132.10173	1.7
136.06224	1.0
136.07565	0.5
137.05978	0.4
138.05563	0.4
140.07047	0.6
140.14378	0.4
142.12279	11.6
143.11806	5.5
145.05029	0.5
147.04411	0.5
152.10696	0.6
164.10773	0.4
169.13460	1.5
174.09113	0.8
181.13324	0.3
187.14427	100.0
188.14824	0.6
192.10167	0.6
197.12901	0.4
205.70892	0.3
215.10385	1.3
215.13919	33.0
216.14389	0.4
245.18628	1.5
263.35638	0.3
329.18497	0.6
345.69177	0.6
346.16119	0.7
346.24167	1.9
347.07678	0.4
347.19513	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	346.165
Annotation	Albomaculine
Peak:m/z	Relative Intensity
53.03949	2.1
55.01877	0.5
55.05505	1.0
56.96573	0.5
66.04327	0.4
67.05491	1.6
68.52511	0.3
69.03403	0.3
69.07057	1.1
70.06600	2.8
71.05001	0.4
71.52053	0.5
72.08147	0.9
77.03936	0.8
79.05482	1.2
81.03421	0.5
81.07065	3.0
83.05010	0.5
83.08638	0.5
84.04488	0.5
84.08132	1.1
85.02896	0.7
86.09732	0.5
91.05484	8.9
93.07043	13.3
93.40954	0.4
94.06570	1.1
95.04983	2.3
95.08599	1.3
98.97594	3.3
103.05469	10.3
105.04509	1.1
105.07030	2.9
107.04965	1.5
107.08590	1.3
109.10126	0.9
110.09691	0.6
116.01266	0.4
116.98635	1.2
119.08555	0.4
120.08095	1.7
121.06507	100.0
122.06857	0.9
122.09665	1.5
124.11198	0.4
131.00201	0.4
134.09639	1.2
135.08006	0.4
136.07651	0.5
136.11197	3.2
138.09148	1.0
150.09154	1.6
150.12776	1.2
152.10728	1.3
158.99567	2.0
162.09145	2.1
164.10738	1.9
168.10205	2.1
173.01265	0.6
177.00751	0.9
177.13965	1.9
178.08623	3.6
180.10167	4.1
191.02281	0.6
196.09653	2.9
198.11276	1.0
200.04391	2.4
208.09734	0.5
219.01720	0.8
226.10751	2.6
230.15430	0.4
240.13770	1.9
244.99898	0.4
248.20142	0.6
254.15495	0.5
256.16977	5.8
257.39908	0.4
268.06067	0.4
270.14960	0.9
272.16473	1.8
275.20099	0.4
282.14847	1.0
284.16602	2.0
288.15948	3.3
298.14511	0.6
300.15942	8.7
302.20245	1.5
316.15378	1.4
318.16995	16.0
328.15375	1.6
328.19058	0.5
346.16486	16.7
346.22897	1.8
346.27441	2.1
347.16840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1973
Annotation	Asp Val Leu
Peak:m/z	Relative Intensity
55.05511	7.1
56.05033	1.3
57.05810	0.5
60.04512	1.0
67.05491	0.5
69.07069	1.3
69.71629	2.5
70.02961	1.4
70.06593	4.9
72.08155	67.9
73.02926	0.7
73.08493	0.8
74.06102	0.8
79.05515	0.4
81.07047	0.9
82.06575	4.8
83.08578	0.5
84.04541	1.0
84.08144	6.0
85.02902	0.6
85.04024	1.0
86.09708	28.5
88.03993	9.7
91.05482	1.5
93.07040	0.6
94.06588	0.8
96.08132	3.2
97.06488	0.5
98.02412	3.1
98.06040	0.5
98.09705	1.8
99.09234	2.6
110.07178	1.2
112.08715	0.5
115.08680	0.5
118.08662	0.7
119.04921	0.5
120.08103	1.8
121.06512	1.5
122.06828	0.5
124.07589	3.7
126.09186	0.6
127.08678	16.8
127.32313	0.4
128.07071	2.8
129.10216	3.0
130.05049	0.5
130.06506	0.6
130.10585	0.9
131.01575	0.5
132.10205	7.2
136.06181	1.4
136.07591	1.0
138.09108	1.6
141.10228	2.9
142.08640	25.5
143.15887	0.4
147.04428	1.3
152.07031	1.0
155.11687	0.5
156.10208	1.3
157.09731	0.5
169.09749	5.9
170.08188	3.3
183.11278	0.8
187.10782	100.0
188.11172	1.0
201.12334	10.2
213.29115	0.4
215.10272	32.9
221.09315	0.7
229.11792	3.2
231.17046	1.3
328.18454	0.6
346.17627	1.7
346.22345	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	345.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32422	0.8
51.48777	0.8
52.00232	0.9
53.03947	2.7
55.01871	2.2
55.05269	1.5
55.05515	19.2
57.03429	1.7
57.07080	10.1
59.05007	3.3
60.58078	0.9
65.03928	1.5
67.05506	22.1
69.03433	2.0
69.07070	48.5
69.70406	5.5
70.06581	3.7
71.04991	4.8
71.08635	2.4
79.05487	11.3
81.07059	100.0
83.04984	1.6
83.08620	18.0
83.09068	1.7
84.08147	2.4
85.02957	0.8
85.06556	12.7
86.09689	1.4
91.05479	6.1
93.07050	28.1
95.04988	1.2
95.08611	73.8
97.06541	8.4
97.10160	5.7
98.97638	0.9
99.08097	6.8
101.06073	1.0
103.05475	1.6
104.59460	0.9
104.83749	0.9
105.07020	7.9
107.08597	26.0
108.08099	2.4
108.08852	1.3
109.06528	0.9
109.10155	30.3
110.07211	0.9
111.08085	18.3
111.11716	12.1
111.12437	1.2
113.09645	1.5
117.07001	1.4
117.41755	0.9
119.08580	5.9
120.08128	2.1
121.06493	1.7
121.10143	14.2
123.11713	35.2
125.09635	2.5
125.13268	2.8
127.11214	3.7
133.10126	3.5
135.08060	1.3
135.11687	13.5
136.06195	1.2
137.05933	2.2
137.09604	1.1
137.13260	27.2
139.11151	1.4
145.10156	2.0
146.20253	0.9
147.11716	2.9
149.13258	29.1
151.07571	1.2
151.14821	2.9
153.12727	12.9
155.14296	9.2
157.10028	1.0
161.13251	1.5
163.14825	6.1
165.09103	1.0
165.12727	1.3
165.16429	1.1
167.14314	6.4
171.13826	1.6
173.15373	3.5
175.07582	2.1
175.14824	1.4
177.16409	3.1
181.15985	1.1
185.15520	1.5
191.03502	1.2
191.18021	1.3
203.17999	2.1
209.19051	1.4
217.19598	1.4
272.24728	0.9
273.25735	1.9
279.26840	5.9
291.26825	11.1
297.27957	2.6
309.27902	14.8
310.20901	1.1
313.11874	1.1
317.32147	1.0
327.28888	2.2
340.93399	1.2
345.17731	1.1
345.21646	2.6
345.25571	5.0
345.44217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.2
56.05033	2.1
57.05816	0.9
57.16470	0.4
58.06597	0.5
60.04520	1.6
60.05643	1.4
67.05518	0.7
69.03421	0.9
69.07061	4.2
69.66103	2.1
70.02951	2.6
70.06593	15.9
71.04997	0.5
71.06921	1.0
72.08154	100.0
73.08475	0.6
74.06080	1.3
79.05480	0.6
81.07095	0.6
82.06590	1.5
83.04972	0.5
83.06089	0.6
84.04496	2.9
84.08144	14.1
85.02917	1.1
85.04028	1.9
85.06512	0.5
85.08467	1.2
86.09706	29.2
87.05588	9.4
87.10037	1.0
88.03995	1.4
91.05495	1.4
93.07048	0.9
94.06584	0.8
95.06096	0.8
95.08581	0.6
96.04507	0.6
96.08143	1.1
97.02925	0.4
97.06541	0.6
98.02419	3.2
98.06067	0.6
98.09722	1.0
98.20750	0.5
99.09230	2.1
101.07137	0.9
102.05553	0.8
103.05485	1.0
105.07035	0.6
107.04910	0.5
108.08132	0.6
109.06513	0.4
110.02399	4.9
110.06046	1.6
110.07166	2.6
112.07616	0.4
112.08740	1.9
113.07090	0.5
113.10775	1.8
115.05039	0.8
115.08728	1.0
116.07084	2.7
117.10244	1.0
119.04977	1.6
120.08109	2.4
121.06501	2.7
124.03964	1.3
124.07602	2.8
127.03938	0.5
127.08672	6.0
129.10254	5.6
130.05038	0.7
130.06551	0.4
130.09772	0.5
132.10210	3.6
133.06239	0.6
136.06230	0.8
136.07596	1.3
137.05981	0.8
138.09164	0.9
141.10228	12.9
143.11815	3.0
147.04427	3.1
147.11336	0.6
148.04781	1.3
149.05008	1.1
152.07126	1.2
155.11832	1.8
157.09645	0.4
158.09282	0.6
159.09175	0.5
159.11421	0.4
166.08644	8.4
166.09933	0.6
167.11929	0.4
169.09727	9.7
170.06070	0.4
171.11372	0.5
173.12930	0.9
175.11949	1.3
177.19688	0.4
180.06607	0.7
183.11295	2.1
185.88512	0.4
186.12384	16.3
187.10771	4.8
197.09209	5.7
200.13971	5.0
201.12418	1.1
202.12755	0.6
211.10822	1.2
212.09175	6.7
214.11867	28.6
215.10240	0.5
225.12560	0.4
228.13481	2.3
229.11829	5.1
231.16905	0.4
239.75090	0.4
241.15669	0.7
246.14490	11.9
248.66904	0.4
257.08688	0.4
260.47800	0.4
265.15494	0.8
266.61996	0.4
282.18158	5.8
300.19238	1.7
310.18271	0.9
311.16116	1.2
327.20401	0.8
328.18747	3.7
340.43143	0.7
345.14526	0.9
345.18008	1.2
345.22141	6.7
346.11658	0.7
349.27017	0.5
366.89508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1548
Annotation	Grevilloside D
Peak:m/z	Relative Intensity
53.03947	3.0
55.01867	2.5
55.05515	5.0
56.05034	1.8
57.03432	2.9
57.07063	1.1
60.04515	0.8
60.05638	0.9
61.88415	0.8
65.03933	1.6
67.05509	29.4
69.03430	11.6
69.07070	5.2
69.99905	1.6
70.00289	3.6
70.06599	11.0
71.04993	3.4
72.08149	1.9
73.02918	0.9
76.95014	0.8
77.52166	0.8
79.05504	4.9
79.10669	0.9
81.03423	35.3
81.07062	22.0
83.04966	2.3
83.08601	1.6
84.08149	12.3
84.21082	0.8
85.02910	8.0
85.06548	1.3
86.09702	5.2
89.92103	0.8
91.05482	5.3
93.07039	7.1
95.04976	6.3
95.08612	12.7
97.02914	4.1
97.06523	2.1
98.09698	2.6
98.20836	1.1
99.04470	4.1
99.08108	1.8
103.05445	1.6
105.07034	5.7
107.04977	1.4
107.08593	5.3
109.02888	16.1
109.06513	3.9
109.10162	57.5
110.07146	2.3
111.08087	1.2
112.08753	1.5
113.05997	0.9
114.74307	0.8
117.07037	0.9
119.08582	6.1
120.08118	1.9
120.57619	1.1
121.06525	7.4
121.10155	2.0
122.06026	1.5
122.09705	1.2
123.04510	1.1
123.08081	1.4
123.11723	2.0
125.05989	1.3
125.09639	1.9
126.01070	0.8
127.03924	9.4
128.00801	3.2
128.17644	0.8
129.07013	1.0
129.10245	2.6
130.10648	0.9
131.08531	1.4
133.10175	1.6
135.11752	1.4
137.05991	2.6
137.09621	100.0
138.09982	1.2
140.14328	1.8
143.08495	0.9
145.04990	1.1
145.10156	1.0
146.06250	0.9
147.08003	1.1
147.11644	1.0
155.10701	10.6
159.11731	0.9
161.13260	1.0
165.09119	75.9
170.94913	0.9
171.11702	1.2
174.12660	1.3
183.10187	6.2
183.11670	1.2
187.09451	0.9
187.14833	0.9
201.11194	8.5
210.15947	0.9
216.08910	0.9
248.07640	8.1
281.14117	1.2
309.13400	5.7
313.12064	1.1
327.14359	18.1
328.14917	1.0
344.43570	1.1
345.14343	1.9
345.18250	2.4
345.22006	6.0
345.25732	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	345.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.01867	2.5
55.05515	5.0
56.05034	1.8
57.03432	2.9
57.07063	1.1
60.04515	0.8
60.05638	0.9
61.88415	0.8
65.03933	1.6
67.05509	29.4
69.03430	11.6
69.07070	5.2
69.99905	1.6
70.00289	3.6
70.06599	11.0
71.04993	3.4
72.08149	1.9
73.02918	0.9
76.95014	0.8
77.52166	0.8
79.05504	4.9
79.10669	0.9
81.03423	35.3
81.07062	22.0
83.04966	2.3
83.08601	1.6
84.08149	12.3
84.21082	0.8
85.02910	8.0
85.06548	1.3
86.09702	5.2
89.92103	0.8
91.05482	5.3
93.07039	7.1
95.04976	6.3
95.08612	12.7
97.02914	4.1
97.06523	2.1
98.09698	2.6
98.20836	1.1
99.04470	4.1
99.08108	1.8
103.05445	1.6
105.07034	5.7
107.04977	1.4
107.08593	5.3
109.02888	16.1
109.06513	3.9
109.10162	57.5
110.07146	2.3
111.08087	1.2
112.08753	1.5
113.05997	0.9
114.74307	0.8
117.07037	0.9
119.08582	6.1
120.08118	1.9
120.57619	1.1
121.06525	7.4
121.10155	2.0
122.06026	1.5
122.09705	1.2
123.04510	1.1
123.08081	1.4
123.11723	2.0
125.05989	1.3
125.09639	1.9
126.01070	0.8
127.03924	9.4
128.00801	3.2
128.17644	0.8
129.07013	1.0
129.10245	2.6
130.10648	0.9
131.08531	1.4
133.10175	1.6
135.11752	1.4
137.05991	2.6
137.09621	100.0
138.09982	1.2
140.14328	1.8
143.08495	0.9
145.04990	1.1
145.10156	1.0
146.06250	0.9
147.08003	1.1
147.11644	1.0
155.10701	10.6
159.11731	0.9
161.13260	1.0
165.09119	75.9
170.94913	0.9
171.11702	1.2
174.12660	1.3
183.10187	6.2
183.11670	1.2
187.09451	0.9
187.14833	0.9
201.11194	8.5
210.15947	0.9
216.08910	0.9
248.07640	8.1
281.14117	1.2
309.13400	5.7
313.12064	1.1
327.14359	18.1
328.14917	1.0
344.43570	1.1
345.14343	1.9
345.18250	2.4
345.22006	6.0
345.25732	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	345.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.7
70.06597	1.5
71.36738	0.6
72.08152	1.3
79.05495	0.4
79.22813	0.3
81.04544	0.3
83.06091	1.5
84.04507	0.5
84.08150	1.6
85.08504	0.3
86.03529	1.9
86.09702	0.9
91.05455	0.3
91.80827	0.3
95.06091	1.4
104.05000	0.7
105.03378	0.7
105.05784	0.9
106.06545	1.1
110.07155	0.5
111.05569	3.8
112.08741	0.6
115.05483	0.3
115.08671	0.5
117.05744	0.3
119.04943	0.5
120.04490	3.0
123.05537	0.7
126.06644	2.4
129.10277	0.4
130.06534	0.4
132.04460	23.4
132.08076	0.7
133.05243	0.5
134.06018	4.8
137.04718	1.6
137.05943	0.3
140.08179	0.8
143.08150	0.4
146.02391	0.4
147.04419	1.4
148.04845	0.6
150.05496	3.4
151.06151	9.7
152.06917	0.4
158.06030	0.5
159.05424	0.3
165.05472	0.5
166.07336	0.6
176.07065	0.4
177.04095	0.5
187.08627	0.7
194.06735	4.4
195.07506	0.6
200.48502	0.3
202.09694	1.6
203.08173	0.9
203.14015	0.4
214.09744	0.4
216.11339	0.8
227.09377	0.4
228.13431	0.3
230.09247	1.5
231.07689	1.3
232.10774	2.3
242.09264	5.4
252.08873	0.7
255.08701	0.4
257.10361	4.5
258.08691	0.6
259.11905	10.5
259.14713	0.5
274.12900	0.5
277.12939	0.9
284.11417	8.6
298.04651	0.3
301.14139	0.6
302.09845	0.3
302.12479	14.0
327.12015	4.8
345.13074	100.0
346.13507	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
53.79082	4.7
55.01873	8.5
55.05520	54.6
56.05026	6.5
57.03432	8.2
57.07090	22.0
57.07326	4.8
62.14937	4.4
67.05511	82.8
69.03437	7.7
69.06804	3.8
69.07082	45.4
69.32727	36.9
71.04989	7.0
71.08636	32.8
71.77431	4.3
74.06068	18.2
78.18905	4.4
79.05501	66.4
81.03410	6.2
81.07058	100.0
83.04988	24.1
83.08621	34.2
85.06537	12.6
87.80176	4.2
88.07642	37.9
91.05471	41.7
93.06494	6.5
93.07054	80.9
95.04967	17.1
95.08609	53.2
97.06546	22.0
98.20805	8.5
99.08089	33.1
100.11256	5.0
105.04533	4.3
105.07047	24.0
107.08615	35.8
109.06541	5.8
109.10155	26.3
111.08069	12.6
117.07007	14.4
119.08588	21.5
121.10166	28.8
123.08070	9.8
123.11687	6.7
125.09621	9.3
126.94069	4.6
129.06943	5.2
131.08557	11.8
133.10162	29.9
135.11702	31.8
137.09605	10.8
139.07520	8.7
139.11180	48.3
139.91498	4.1
141.06218	4.6
143.08490	4.3
144.62202	4.3
145.10129	13.0
147.11690	15.9
149.13281	34.6
151.11156	18.9
157.10176	10.3
159.11714	18.0
161.09656	6.5
161.13249	23.1
163.11136	12.1
163.14874	7.0
165.12772	9.0
171.11600	7.9
173.11774	5.9
173.13237	6.2
175.11223	8.2
175.14828	9.4
177.12793	7.1
179.14238	9.1
185.13390	6.0
193.12263	10.2
195.13853	17.5
207.13794	8.1
217.19530	4.3
221.15404	5.7
231.21027	4.8
241.19597	13.8
259.20584	28.0
261.34100	4.9
277.21606	76.4
291.23218	26.5
298.31073	6.6
309.24240	15.6
344.31622	62.9
344.38138	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07130	8.9
55.01860	10.6
55.05515	46.7
57.03426	9.1
57.07078	9.5
63.17508	8.7
67.05510	84.1
69.07066	36.7
69.92656	34.8
70.06570	12.7
71.04980	21.2
71.08643	24.6
73.45548	7.5
76.76649	7.8
79.05486	37.2
81.07063	100.0
83.04979	14.1
83.08629	26.7
88.07626	26.9
89.06016	11.6
91.05478	29.0
93.07048	74.2
95.04971	20.5
95.08611	53.9
97.06524	15.8
97.10154	15.7
99.08094	19.5
105.07070	36.8
107.08577	37.4
109.10152	42.5
111.08049	11.3
117.06987	17.7
119.08565	21.4
121.10159	9.9
123.08066	12.5
123.11674	9.2
133.08556	9.0
133.10133	21.7
135.11708	27.3
139.11198	29.0
145.10130	10.5
147.11737	9.3
149.13303	41.3
151.11147	13.9
155.10786	11.4
159.11714	21.6
163.14796	7.7
165.09167	7.3
173.11769	26.0
175.14865	10.9
177.12779	19.5
185.13353	9.0
195.13846	46.9
204.11116	10.4
213.14833	13.0
241.19313	7.9
249.21819	9.3
255.70863	8.4
259.20554	10.2
277.21722	43.3
291.23309	10.4
295.22708	11.1
309.24069	14.1
333.99707	9.2
334.12924	7.8
344.25742	9.2
344.31616	19.0
344.37933	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73908	6.5
53.03938	8.7
55.01872	12.0
55.05519	54.5
57.03423	20.4
57.07059	22.5
67.05504	81.4
69.03417	13.9
69.07082	44.0
70.06573	26.6
71.05007	12.4
71.08609	17.8
71.52028	7.7
71.52466	7.8
79.05108	7.0
79.05495	62.6
81.07052	100.0
83.04973	26.0
83.08622	22.5
85.06535	19.4
88.07621	48.7
89.06039	11.6
91.05485	49.2
93.07049	91.3
95.04948	21.4
95.08610	69.6
97.06501	28.7
97.10188	12.8
99.08118	10.9
105.03413	10.5
105.07050	32.6
106.08662	18.2
107.08597	37.9
107.24283	6.5
109.06519	8.2
109.10143	24.6
117.07048	7.6
118.11409	6.2
119.08568	20.8
121.10123	26.2
123.07978	10.6
125.09634	11.9
129.07005	8.2
131.08519	21.5
133.08601	8.1
133.10124	23.6
135.11702	31.2
139.11157	41.1
141.08923	7.2
147.11665	19.0
149.13214	26.8
151.11227	13.6
154.10408	6.5
159.11699	11.6
161.13251	14.9
163.11227	6.5
165.12708	8.6
173.13297	8.4
175.14821	15.7
177.12764	11.6
185.13191	11.0
195.13847	16.8
217.19518	7.3
221.08852	8.0
239.83585	8.3
241.19456	12.3
241.23543	8.3
259.20605	14.7
271.52472	7.1
277.21661	81.5
283.26297	9.6
291.23148	15.9
309.24051	17.1
327.20035	9.8
344.31564	19.1
344.35220	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.254
Annotation	Val Leu Leu
Peak:m/z	Relative Intensity
55.05511	7.3
56.05028	0.7
57.02236	0.5
57.05832	0.5
69.07063	0.8
70.06597	2.5
70.38813	1.1
70.39169	1.0
72.08153	78.7
76.05212	0.5
84.04523	0.6
84.08157	1.8
86.09705	100.0
91.05474	0.5
94.98137	0.6
97.53683	0.4
98.06046	2.9
98.09707	1.1
103.05468	0.6
108.07973	0.5
110.07125	0.6
119.71746	0.5
120.08128	0.6
123.08056	1.7
129.10268	0.7
132.10220	2.7
136.06273	0.7
136.07632	0.6
137.49672	0.6
144.68626	0.5
185.16490	52.7
199.17992	2.4
201.09143	0.5
213.15974	34.5
219.23479	0.5
227.17531	1.5
231.16998	2.0
245.18596	9.4
308.15219	0.6
326.16064	4.8
341.23633	0.5
345.89291	0.5
364.83228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.05273	1.1
55.05519	14.9
56.05040	0.9
57.07067	2.1
65.03940	1.4
67.04933	0.8
67.05508	16.8
69.07069	10.5
70.06600	13.6
70.44239	1.3
71.08626	0.7
76.08018	0.9
79.05496	15.7
81.06595	1.2
81.07064	23.9
83.08605	2.6
84.08115	1.9
91.05479	21.0
93.06484	1.4
93.07047	19.0
95.04967	1.4
95.08612	13.0
96.08108	1.2
97.10165	1.2
98.20761	0.9
103.05478	1.2
105.07039	26.4
107.08590	13.3
109.06550	0.8
109.10155	3.3
115.05470	2.0
116.06255	1.8
117.07028	30.8
118.06485	1.1
118.13355	0.7
119.08588	27.7
120.08103	3.5
121.10163	8.5
122.09680	2.1
123.11726	2.3
128.06200	1.8
129.07010	11.2
130.07776	4.0
131.08572	34.3
132.08087	0.9
133.08826	1.4
133.10141	10.7
134.09613	2.0
135.11682	4.4
136.77649	0.9
138.12796	1.6
142.07788	1.5
143.08575	9.0
144.08279	1.0
144.09315	4.6
145.10126	52.2
146.09668	4.9
146.10710	1.2
147.10464	2.5
147.11687	6.3
148.11198	1.8
149.13252	3.1
150.12781	1.1
156.09314	0.8
157.10130	5.4
158.09663	2.2
158.10922	2.5
159.11699	20.0
160.11220	3.8
160.12386	1.4
161.12015	1.9
161.13264	3.9
170.09671	1.3
171.10397	1.0
171.11705	7.5
172.11195	3.5
172.12486	1.0
173.11986	1.5
173.13274	23.6
174.12773	7.1
174.14087	1.8
175.13542	0.9
184.11244	1.2
185.13303	2.5
186.12769	4.0
187.13382	1.1
187.14847	9.2
188.14406	2.4
200.14177	6.5
200.15933	1.4
201.16428	1.4
202.15964	1.3
212.14319	2.0
214.15877	4.7
216.17444	1.2
226.15825	1.8
228.17479	9.1
229.19576	36.1
230.19037	5.8
240.17494	2.8
241.23517	2.8
242.19055	1.0
254.19054	2.8
268.20673	1.8
298.25302	100.0
342.29117	0.8
344.25891	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70755	4.8
53.03946	16.7
55.01860	7.8
55.05514	74.0
55.50162	4.8
56.05015	7.4
57.03429	22.5
57.07100	5.8
65.03964	5.1
67.05509	91.2
69.03436	14.3
69.07060	54.9
69.59144	20.6
69.59553	10.1
69.79690	5.2
70.06588	36.6
71.04990	20.8
72.08168	7.0
74.99096	6.0
75.04488	7.1
79.05499	89.6
81.03426	32.9
81.07059	85.3
83.04984	36.7
83.08624	36.1
84.08116	27.3
85.02905	16.4
85.06541	15.0
86.06041	7.1
86.09693	9.1
88.07631	7.0
91.05485	52.7
93.07049	100.0
95.04978	29.0
95.08594	36.7
97.06532	23.4
97.10170	59.0
98.97591	6.0
99.08103	8.9
105.07033	62.6
107.04944	16.5
107.08602	59.3
109.06533	15.7
109.10137	30.3
110.07224	9.2
111.08107	8.7
113.06030	16.2
117.07042	17.6
119.04967	6.0
119.08595	32.5
120.08115	14.4
121.06509	42.1
121.10162	41.5
121.10901	8.3
123.08071	32.6
123.11723	6.4
125.09642	42.6
129.07031	9.4
129.10294	8.7
131.08548	30.3
133.10132	18.0
135.08055	20.1
135.11699	15.1
137.09653	10.7
139.11147	7.5
143.08574	12.5
145.06514	9.3
145.10146	16.4
147.08041	8.3
147.11731	7.4
149.09645	9.7
149.13286	13.2
155.10596	9.5
159.11694	15.4
161.13347	7.5
167.10774	8.7
173.11751	17.6
175.11198	9.6
184.07426	6.2
189.11227	48.9
193.12108	6.2
195.13780	5.3
200.14276	7.7
211.13426	8.6
212.16403	5.8
221.15297	11.0
223.13347	23.4
246.11194	14.5
273.18527	13.0
291.19467	39.9
308.22171	8.6
309.20535	10.6
326.23145	13.0
334.45499	6.4
344.14786	7.7
344.18793	11.3
344.26093	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.6
55.01854	8.2
55.05514	19.1
57.03434	21.5
65.03921	3.2
66.70078	2.4
67.05511	53.9
69.03420	5.7
69.05393	2.5
69.07075	91.0
69.33312	2.1
69.35961	18.3
70.06605	11.5
71.05000	41.4
72.08145	2.6
73.02892	2.6
77.70258	2.3
79.05502	57.0
81.03426	30.6
81.07061	70.4
83.04966	10.4
83.08610	9.1
84.08137	7.3
85.02876	2.3
85.06533	7.5
85.81364	2.8
91.05489	49.1
93.07053	51.2
95.04974	54.7
95.08614	37.9
97.06539	100.0
97.10150	7.7
98.06017	3.5
99.08082	11.2
103.47155	2.4
105.07034	42.8
107.04964	14.2
107.08601	34.6
109.06524	29.6
109.10143	13.1
111.08095	6.9
113.05962	11.9
115.05440	3.3
115.07580	41.2
117.07016	27.0
118.83072	2.5
119.08588	26.0
120.08104	3.6
121.06503	14.9
121.10144	16.8
123.04436	3.1
123.08051	10.9
125.06006	3.2
125.09667	5.5
129.06992	8.7
129.10188	3.6
131.08585	26.2
133.06488	4.3
133.10136	16.9
135.08063	14.3
135.11720	12.7
137.09654	4.3
142.07715	2.9
143.08554	7.6
145.04840	2.8
145.06471	4.5
145.10129	21.8
147.08035	8.8
147.11659	10.3
149.09622	8.6
149.13304	11.9
151.11198	2.8
153.09074	3.2
155.08493	3.9
157.10107	10.8
159.08084	3.8
159.11687	17.8
161.09604	5.9
161.13240	4.5
163.11261	4.7
165.09067	4.1
169.10068	3.8
171.11700	6.2
173.04265	4.7
173.13271	5.3
174.04391	2.9
175.11205	9.4
177.12773	9.1
185.13284	4.9
187.11214	2.9
187.14824	3.5
189.11057	2.4
189.12701	3.9
191.14238	3.5
193.12283	5.0
195.13806	9.9
199.14897	2.8
200.14398	3.1
201.12784	4.2
205.12245	4.2
206.07047	3.4
207.07472	4.5
208.07115	2.5
211.13168	3.4
212.16435	2.9
217.15939	6.4
219.13846	4.5
221.15245	3.0
223.13232	13.1
233.15274	4.2
245.19185	4.3
255.17407	4.9
263.20190	3.7
273.18451	12.4
291.19547	15.7
344.18851	4.1
344.26208	15.5
346.96753	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34258	1.5
51.45450	1.5
53.03939	4.7
55.01869	4.3
55.05512	13.2
57.03441	13.4
59.50008	1.7
60.77530	1.4
62.86057	1.5
67.05511	27.9
68.05878	1.6
69.03432	3.7
69.07069	45.3
69.88937	1.5
69.89211	7.1
70.06596	9.0
71.05002	18.3
71.06959	1.6
73.02899	4.4
79.05497	36.8
81.03429	14.3
81.07058	36.9
82.07392	1.7
83.04986	10.5
83.08601	4.6
84.08141	4.0
85.02896	1.8
85.06549	4.4
86.09706	3.6
87.04459	1.4
91.05482	27.8
92.90057	1.5
93.07043	28.8
95.04968	19.5
95.08611	19.7
95.80453	1.4
97.06532	100.0
97.10154	3.0
98.20889	1.9
99.04429	2.1
99.08097	5.1
105.04457	1.9
105.06336	1.0
105.07034	25.1
107.04955	6.9
107.08600	15.8
109.06528	12.1
109.10165	10.9
110.07110	2.2
111.08083	4.0
115.07579	34.2
117.07020	13.6
119.08584	14.7
120.08102	2.1
121.06501	12.2
121.10163	8.6
123.08025	3.5
123.11732	2.6
129.06998	4.9
131.08563	15.2
133.06488	3.2
133.10149	14.6
135.08075	7.3
135.11725	7.1
137.09613	2.5
143.08519	5.7
145.10159	10.2
147.07990	3.3
147.11629	2.7
149.09645	4.1
149.13193	2.9
151.07481	3.2
151.11194	5.5
157.10114	5.8
159.11729	7.9
161.09671	3.3
161.13268	2.4
165.12773	2.0
171.11717	2.9
173.13290	3.1
175.11127	4.2
177.12759	4.6
179.10649	1.8
185.13228	2.4
187.11249	2.3
195.13834	5.1
200.14323	3.6
205.12238	2.9
207.10208	2.4
213.12659	1.6
221.15392	2.2
223.13306	5.1
251.16472	1.6
263.20248	2.0
270.14951	1.8
273.18457	8.5
278.62643	1.8
291.19495	5.9
339.84171	1.5
344.22284	3.0
344.25818	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	344.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98919	0.3
53.03949	0.6
57.03447	1.3
61.02932	1.2
69.03432	3.3
70.06602	2.2
70.67191	1.0
71.05006	0.6
72.08169	0.7
81.03431	1.0
84.04520	0.5
84.08157	1.6
84.83749	0.4
85.02914	16.2
86.09721	1.6
91.03996	0.6
91.05485	5.6
97.02901	3.5
98.21460	0.4
99.04480	0.7
105.19025	0.4
109.02885	1.4
110.82397	0.4
115.62489	0.4
116.07130	0.9
119.04949	17.2
119.43114	0.3
120.08129	0.7
123.04431	1.7
127.03969	2.5
129.10255	1.0
145.04961	3.3
147.04419	100.0
148.04784	0.9
151.71573	0.4
163.05998	0.5
165.05487	62.5
180.08737	2.1
182.08179	1.2
219.65143	0.4
248.33156	0.4
318.49829	0.4
344.13245	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.01884	6.5
55.05515	33.6
55.42118	4.0
57.03432	5.6
57.07071	15.3
65.03922	5.8
65.39966	3.8
67.05508	49.1
69.03432	7.4
69.07068	24.3
70.06608	22.6
71.04989	7.3
71.08634	10.3
71.52113	5.5
72.08162	4.8
73.02907	3.9
79.05504	41.9
81.03378	8.9
81.07056	42.6
83.04978	12.1
83.08625	19.2
84.04531	4.5
84.08141	11.7
86.06091	4.3
86.09756	4.8
91.05487	37.1
93.07055	46.6
95.04995	21.1
95.08601	40.9
97.06531	10.9
98.06066	7.0
99.04446	5.7
105.07037	30.6
107.04996	5.8
107.08588	27.4
109.06577	6.3
109.10165	15.7
110.07211	4.7
110.10606	5.5
111.04490	4.3
111.08073	17.6
114.09175	10.1
117.07043	10.0
119.08624	16.3
120.08150	6.6
121.06510	13.8
121.10187	24.6
123.08060	4.6
123.11682	4.3
125.09647	4.8
129.07001	6.5
131.08580	10.1
133.10139	15.3
135.08035	7.4
135.11690	10.3
137.09608	12.7
139.11217	7.8
140.69362	4.2
145.10130	11.0
149.09651	6.8
151.11188	6.0
153.86726	5.6
157.10097	4.6
161.09689	9.4
167.10716	6.4
174.12819	4.5
181.12178	4.9
186.13046	4.5
213.26675	4.8
240.23204	22.9
241.23586	100.0
273.18466	5.6
277.18094	6.0
291.19601	7.1
298.25342	15.0
344.18484	5.4
344.22198	12.9
344.25790	20.8
344.31580	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
53.80900	0.1
55.01871	0.3
55.05514	4.4
56.05031	0.3
57.03433	0.2
60.04525	0.4
60.05629	0.2
60.29308	0.1
67.05492	0.3
68.05016	0.2
69.03430	0.7
69.07068	0.5
69.18034	0.7
69.18456	0.7
70.06597	6.2
71.04978	0.2
71.06914	0.2
71.65036	0.2
72.08157	2.2
74.02473	0.2
74.06065	0.2
79.05523	0.1
81.03410	0.6
82.06584	0.3
84.04511	1.0
84.08148	3.4
85.02917	1.6
86.09705	3.9
87.10049	0.2
88.04008	0.5
91.05486	0.4
93.42776	0.1
95.04978	0.3
95.08588	0.2
97.02883	0.5
97.06539	0.3
98.06059	100.0
98.09651	0.7
98.20810	0.3
99.04494	0.1
99.05756	0.2
99.06362	0.3
102.05473	0.3
103.03950	0.3
103.05493	0.2
105.07050	1.1
109.02906	0.4
110.06054	0.9
110.07175	0.7
112.07629	0.5
112.08736	0.4
115.03967	0.3
115.08681	0.2
116.07069	0.2
120.08129	0.9
121.06522	0.6
122.06042	0.4
122.09634	0.1
123.08007	0.2
127.03912	0.3
129.10265	1.4
130.05055	0.3
130.06519	0.3
131.08603	0.2
132.10196	0.2
134.04558	0.2
136.07584	0.3
137.06027	0.2
140.07076	2.1
140.14374	0.3
141.10237	0.1
145.05002	0.3
147.04501	0.2
148.53146	0.1
149.06018	0.1
153.37039	0.2
155.11829	0.2
157.04950	0.2
159.09184	0.2
160.24928	0.2
173.09190	0.1
185.16476	0.2
187.10922	0.2
199.18155	0.3
206.08301	0.2
221.52983	0.3
223.13387	0.2
224.09204	0.4
230.03514	0.2
242.10252	0.8
260.11197	0.7
272.54663	0.4
308.11395	0.2
326.12350	2.3
326.15918	0.3
344.13339	3.7
344.22214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38279	2.0
52.55265	2.1
53.03944	4.9
55.05513	22.5
57.03428	4.0
57.07085	11.3
59.04986	4.5
65.03934	5.2
66.01643	2.2
67.05511	29.0
69.03413	6.9
69.07070	51.4
69.54082	14.1
70.06596	12.8
71.04977	8.5
71.08620	6.4
72.08163	4.1
77.34665	2.1
79.05499	22.1
79.67736	2.0
81.03421	3.1
81.07061	100.0
83.04984	8.8
83.08611	14.5
84.04481	5.3
84.08160	10.7
85.02891	3.7
85.06544	8.5
86.09690	8.0
87.04475	3.6
91.05486	23.6
93.07045	72.8
95.05000	14.2
95.08612	72.4
95.09148	1.6
97.06538	11.1
97.10172	10.2
97.33707	2.0
98.09652	1.8
98.21552	3.7
98.97530	4.5
99.08074	4.3
103.05457	2.5
105.07038	30.2
107.04942	3.4
107.08604	46.4
109.06518	8.8
109.10166	44.1
110.07188	2.8
111.08092	14.4
111.11675	4.5
113.09636	2.3
114.70947	2.2
115.07562	2.9
117.07028	4.6
119.08568	21.2
120.08123	4.3
121.06496	7.9
121.10151	38.1
123.04424	2.3
123.08114	4.0
123.11717	34.9
125.09630	6.4
126.01070	13.5
129.10262	3.8
130.05005	3.1
131.08566	6.1
133.10162	17.3
135.11703	22.4
136.06221	2.3
137.05894	5.9
137.09627	3.1
137.13248	16.6
139.11185	6.2
144.09613	2.0
145.10147	12.0
147.04372	4.4
147.11687	10.7
148.03947	20.9
149.09531	2.3
149.13290	14.1
151.11163	10.4
153.12773	5.9
155.10730	3.3
157.10010	2.4
159.08011	2.7
159.11684	9.5
161.13271	8.4
163.11229	10.8
163.14833	5.7
166.05048	3.5
169.12247	2.8
171.11678	2.9
175.14857	3.8
177.16391	5.3
181.12262	11.2
187.14853	3.2
189.16388	2.6
190.04865	2.3
199.13246	2.6
200.14497	4.0
201.14742	2.4
201.16449	2.8
202.15909	8.8
214.18028	4.9
215.17894	5.1
245.22873	2.1
246.07918	25.4
255.11110	3.0
271.24139	6.4
289.25250	8.5
297.23218	2.9
301.11874	13.7
307.26382	7.2
308.12234	2.4
308.16110	2.4
325.22705	15.5
325.26926	3.6
343.20001	15.3
343.24170	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.4
51.85723	1.3
53.03951	2.9
55.01868	2.0
55.05513	17.9
57.03434	3.5
57.07077	10.7
59.04992	4.6
65.03939	2.9
67.05505	24.2
67.14245	1.2
69.03429	7.6
69.07069	63.7
69.28291	11.0
70.06592	14.9
71.04993	7.0
71.08613	3.8
73.02940	1.8
79.05491	15.7
81.03423	1.5
81.07056	100.0
83.04977	7.7
83.08619	18.3
84.08145	4.9
85.02891	1.7
85.06538	19.0
86.09712	2.6
91.05476	12.8
93.07041	39.1
95.04967	5.5
95.08607	58.1
96.04508	1.7
97.02847	1.7
97.06528	11.7
97.10151	3.2
99.08099	15.8
101.06039	1.5
105.07034	22.2
107.04994	1.8
107.08587	33.3
108.08141	1.3
109.06527	5.4
109.10155	34.3
110.06057	1.7
110.07187	2.1
111.08072	21.6
111.11716	13.7
113.06019	2.3
113.09664	2.9
115.07574	1.7
117.07008	4.3
119.07932	1.5
119.08601	16.6
120.08150	1.9
121.06553	9.9
121.10136	23.8
122.06039	4.2
123.08047	2.5
123.11707	62.2
125.09647	4.7
125.13293	2.0
127.11195	16.9
129.10216	2.0
130.07794	1.6
131.08588	3.9
133.10150	7.8
135.08043	1.8
135.11691	21.1
136.07593	1.9
137.05986	2.0
137.09663	3.0
137.13261	12.9
139.11183	6.2
143.08566	2.9
145.10130	9.7
146.06099	2.1
147.11687	9.7
149.13240	8.2
150.09131	2.3
151.07506	1.4
151.11163	2.4
151.14673	1.6
153.12747	33.4
155.14256	2.1
157.10115	1.7
159.11705	7.6
161.13271	5.6
162.05493	1.4
163.07478	1.4
163.11168	3.5
163.14818	3.9
165.12729	9.0
165.99919	1.4
166.08603	1.5
167.14343	2.5
171.13805	4.4
172.03928	1.6
173.04305	1.8
173.13292	4.1
175.14830	4.3
177.12711	2.1
177.16394	2.8
183.13722	1.7
185.13304	1.5
187.14865	2.4
189.16527	2.0
191.18034	1.9
193.15903	2.2
201.16388	3.0
203.17969	4.1
204.06516	1.7
205.06947	2.7
206.07080	2.9
209.19003	3.3
219.17630	1.5
221.19080	2.5
237.18420	7.4
252.43347	1.3
271.24243	3.4
277.25296	7.0
289.25220	11.6
295.23221	1.5
295.26221	8.2
307.26279	41.3
311.10321	1.8
325.18954	2.3
325.27356	14.0
327.12775	3.3
343.16364	1.8
343.19922	3.6
343.24399	18.4
344.18481	2.0
344.25555	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	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.05516	19.2
57.03435	3.2
57.07075	8.3
59.04998	3.1
61.25584	1.5
67.05508	14.6
67.62865	1.3
69.03425	5.1
69.07071	100.0
69.57930	10.2
70.06599	8.0
70.83717	1.5
71.04998	4.0
72.08167	2.2
73.02901	1.5
77.81625	1.3
79.05497	7.7
81.03381	2.0
81.07061	51.5
83.04980	3.5
83.08616	9.8
84.08140	4.2
84.30848	1.3
84.92936	1.4
85.06554	8.4
86.09682	2.4
91.05477	7.5
93.07056	20.4
95.04976	5.1
95.08610	29.2
97.02888	1.5
97.06535	6.2
97.10178	6.2
98.97565	1.6
99.08097	5.7
101.06004	4.3
103.05475	2.0
105.07029	11.1
107.05013	1.8
107.08603	12.6
109.06510	3.6
109.10173	21.1
111.08102	3.0
111.11723	27.1
117.07009	2.3
119.08589	8.5
121.06496	6.7
121.10141	12.4
123.08062	3.0
123.11704	25.2
124.83562	1.4
125.09664	1.9
127.11182	2.8
129.10201	2.0
131.08556	2.9
133.10150	4.4
135.08040	1.7
135.11702	8.2
137.05911	2.3
137.09612	3.3
137.13234	4.4
139.11191	22.0
145.10081	7.8
146.07835	1.5
147.04445	2.0
147.11679	5.2
149.13249	4.8
151.11292	2.0
151.14789	3.0
153.12750	6.2
155.14383	1.6
157.12241	3.7
159.11725	3.6
161.05986	3.4
161.13300	3.2
163.11201	4.2
163.14810	2.2
165.12794	4.5
167.14293	2.5
172.03963	2.2
173.04277	4.3
173.13200	2.4
174.04611	4.2
179.14288	2.3
183.13782	2.5
185.13284	1.6
187.14796	1.6
191.14207	1.7
192.54239	1.6
194.00996	1.7
204.06496	4.0
205.06941	5.2
206.07219	6.0
246.18433	2.2
263.23886	1.5
277.25360	2.5
289.25192	3.0
295.26306	13.6
300.19553	7.2
307.26346	24.4
311.12939	2.7
325.14420	1.6
325.21909	2.4
325.27399	4.9
343.23801	3.5
344.22208	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	343.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.05507	25.4
57.03437	6.0
57.07077	8.9
59.05001	3.3
62.03278	1.9
67.05508	29.8
69.03429	7.0
69.07071	80.8
70.06590	17.1
70.24990	7.0
70.25337	3.3
71.04986	7.8
71.08631	2.6
72.08167	2.8
77.03938	2.6
79.05502	17.9
81.07058	100.0
83.04965	3.5
83.08606	16.5
84.04512	2.7
84.08146	9.5
85.06551	22.7
86.09705	4.8
91.05486	15.3
93.07050	43.1
95.04963	10.4
95.08614	65.8
96.08119	2.3
97.06535	13.5
97.10159	9.1
98.97604	2.4
99.08115	12.8
102.38066	2.1
105.07043	21.0
107.08593	30.8
109.02953	2.2
109.06538	6.6
109.10165	43.1
110.07166	3.6
111.08089	13.1
111.11739	16.2
113.06006	2.7
117.07005	4.3
119.08587	16.2
120.08142	2.8
121.06490	12.8
121.10152	31.0
123.08102	6.8
123.11710	30.3
125.09628	5.1
127.11196	4.6
129.06963	2.2
129.10239	4.2
131.08583	4.5
133.10164	7.0
135.08122	3.2
135.11699	21.0
137.05893	3.4
137.09602	2.9
137.13295	13.1
139.11177	15.9
143.08557	3.7
143.58258	2.2
145.10124	14.3
147.04401	5.3
147.11705	12.1
149.06010	2.5
149.09612	3.0
149.13258	9.4
151.07545	2.9
151.11176	2.2
151.14839	5.3
153.12761	16.5
157.12260	4.5
159.07924	2.3
159.11655	6.3
161.13278	6.8
163.11211	6.9
163.14839	4.5
165.12761	7.6
167.14250	2.4
173.13225	3.2
173.35243	2.4
177.16437	3.0
179.14273	2.6
181.12273	4.4
187.14890	3.7
189.16354	3.8
200.51401	2.1
203.18202	2.3
246.18607	2.4
249.16350	2.4
271.24161	5.2
271.54218	2.0
277.25339	4.9
289.25281	8.9
295.26285	5.4
307.26315	34.3
312.29047	2.7
325.27377	18.0
343.16162	3.1
343.23352	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03942	2.6
55.01873	4.1
55.05508	12.7
57.03429	6.3
57.07066	5.9
59.04996	3.7
67.05508	20.6
69.03419	7.5
69.07063	5.3
70.12307	2.9
70.12698	3.3
71.04988	13.3
79.05493	21.5
81.03416	3.4
81.07053	19.6
83.04968	3.5
83.08622	2.6
85.06541	4.0
91.05478	20.7
93.07047	52.9
95.04972	42.6
95.08609	56.5
97.06548	15.3
98.21397	2.7
103.05419	2.4
105.07037	61.0
107.04989	2.7
107.08601	37.8
109.06535	13.1
109.10164	4.6
115.05469	6.1
117.07021	22.3
119.08587	21.4
121.06518	11.6
121.10149	17.1
123.08086	22.8
125.05976	1.9
128.06256	2.4
129.06999	5.3
130.07008	1.7
130.07802	12.5
131.08563	7.5
133.06512	3.7
133.10150	14.5
135.08046	19.0
135.11679	12.6
137.05962	2.5
137.09642	2.5
142.07780	2.4
143.08568	8.5
145.10132	68.3
147.08063	11.2
147.11705	3.3
149.09674	4.0
151.07556	37.0
153.09106	2.8
155.08595	3.5
157.10098	10.2
159.08044	2.3
159.11699	6.3
161.09628	9.0
161.13359	2.0
163.11194	56.3
163.12564	3.2
165.09135	13.1
167.08662	2.2
169.10172	4.8
171.11676	3.6
173.09656	3.9
173.13225	1.9
175.11212	4.5
177.09160	4.2
179.07010	2.2
181.10170	2.5
181.12131	2.2
185.09674	2.3
185.13223	2.0
187.11172	4.3
189.12685	9.7
191.14284	2.7
193.10147	2.2
197.13345	3.0
201.12741	2.4
203.14305	5.9
207.13812	4.1
209.13293	3.0
209.15370	4.6
215.14272	3.1
217.12286	2.1
221.15398	22.4
223.14822	3.3
233.15370	5.8
240.23015	2.0
263.16531	6.2
269.15314	2.7
286.19366	3.6
287.16458	2.6
287.20041	2.7
291.25021	1.7
307.20734	2.8
325.21722	10.8
343.22687	100.0
344.23047	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	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.02391	2.9
53.03944	4.2
55.01870	10.1
55.05512	17.0
57.03428	7.9
57.07066	6.7
59.04997	2.9
65.03925	4.7
67.05511	28.0
69.03422	6.8
69.07065	11.5
70.06588	8.7
70.56265	2.7
71.04993	17.9
78.72383	2.5
79.05505	22.2
81.03415	3.9
81.07064	37.4
83.04974	10.1
83.08620	8.2
84.08134	7.5
86.09694	4.3
91.03951	3.3
91.05485	30.7
92.83690	2.6
93.06490	4.0
93.07050	61.7
95.04981	46.5
95.08611	72.8
97.06538	22.8
98.09713	3.3
103.05463	3.3
105.07042	70.6
107.05027	4.0
107.08607	42.4
109.06543	14.0
109.10145	15.7
110.10467	5.3
110.82876	2.6
115.05450	5.7
116.06206	2.7
117.07023	23.5
119.08585	33.4
120.08098	3.4
121.06542	18.8
121.10136	17.4
123.08096	21.7
123.11713	5.1
125.09612	3.3
129.07001	4.6
130.07780	12.2
131.08568	12.8
133.06479	6.7
133.10138	22.1
134.10498	5.3
135.08055	19.9
135.11696	16.0
137.05971	9.3
137.09624	4.4
139.11183	3.0
141.07019	3.1
141.96620	2.9
142.07762	4.9
143.08621	13.3
144.09349	4.2
145.10126	65.1
147.04433	4.5
147.08069	15.1
147.11708	7.9
149.09596	6.7
151.03909	6.7
151.07558	39.7
151.11148	3.4
153.09177	3.7
155.08548	3.6
155.10640	2.9
157.10143	16.7
159.08067	6.4
159.11687	9.4
161.05969	19.1
161.09592	8.6
161.13330	3.7
163.11186	47.8
165.09097	11.6
167.07027	3.5
167.10703	3.8
169.10069	3.9
171.11676	5.1
173.13225	6.3
175.11189	5.1
175.14700	3.4
177.09109	4.6
179.07054	3.9
181.10115	3.1
181.12212	3.6
183.11765	4.0
185.13251	4.0
187.11234	4.5
189.05519	3.4
189.12755	10.5
191.07008	3.7
191.14305	4.6
192.07784	8.0
195.11607	3.7
197.13235	3.0
203.14297	6.9
207.13774	5.6
209.13371	3.8
209.15411	4.4
215.14372	3.1
221.15393	23.3
233.15387	5.2
263.16403	6.3
269.15201	3.6
287.16205	3.3
307.20496	4.9
325.21613	13.2
343.11710	8.0
343.18857	6.3
343.22693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03940	4.0
55.01871	4.5
55.05516	11.0
57.03426	5.5
57.07066	4.9
59.04994	3.7
63.38674	1.9
63.54184	1.6
63.95214	1.5
67.05511	20.9
69.03419	8.7
69.07066	4.9
70.24536	3.0
71.04996	17.7
79.05502	19.6
81.07063	25.3
83.04974	5.8
83.08617	3.8
85.06552	4.0
91.05494	27.6
91.39759	1.7
93.07047	57.4
95.04972	44.2
95.08613	62.4
97.06538	15.8
99.89051	1.6
102.27444	1.8
103.05453	2.8
105.07043	70.1
105.79085	1.5
107.04980	4.0
107.08601	40.9
109.06503	12.4
109.10135	5.3
115.05421	3.4
117.07031	29.9
119.08588	26.5
121.06516	16.0
121.10143	12.7
123.08086	21.5
128.06219	2.3
129.06992	4.6
130.07764	16.1
131.08563	7.8
133.06511	3.6
133.10118	12.0
135.08064	23.1
135.11679	11.1
137.05983	2.8
137.09619	4.0
142.07726	3.7
143.08554	9.1
145.10135	68.3
147.08102	9.1
147.11687	4.9
149.09637	4.4
151.07547	35.4
153.09068	3.8
155.08609	3.7
155.10628	2.3
156.09363	2.5
157.10168	10.1
159.08037	2.7
159.11736	8.4
161.09619	7.8
161.13261	2.4
163.11183	52.9
165.09122	12.7
169.10133	2.8
171.11720	6.4
173.09631	4.6
173.13237	4.6
175.11212	4.9
177.09161	3.2
179.07072	3.6
181.10059	3.2
181.12238	3.3
183.11626	3.1
185.13200	2.5
187.11154	6.2
189.09114	2.2
189.12801	7.9
191.14380	4.7
195.11771	3.2
197.13245	3.2
199.14751	2.2
203.14320	7.6
207.11964	2.2
207.13863	5.2
209.13235	2.9
209.15242	2.7
215.14392	3.9
221.13353	3.7
221.15347	24.1
233.15355	4.9
239.14233	2.2
243.13838	2.3
263.16489	7.1
269.15268	3.7
286.19205	4.1
287.16333	3.6
307.20581	2.2
325.21689	10.8
343.22681	100.0
344.22726	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	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03941	2.2
55.01848	3.9
55.05506	10.7
57.03431	8.2
57.07061	5.6
59.04971	4.5
65.03930	1.7
67.05504	16.8
69.03431	7.6
69.07054	4.2
70.77423	3.7
71.04652	1.6
71.04991	17.2
79.05489	15.5
81.03392	2.8
81.07060	17.6
83.04964	3.8
85.06539	3.2
91.05476	23.1
93.07043	51.1
95.04381	2.4
95.04965	40.0
95.08606	60.1
97.06533	12.0
103.05481	2.1
105.07034	55.6
107.04933	2.7
107.08587	37.7
108.05742	1.7
109.06519	9.8
109.10138	2.7
111.08103	1.9
115.05431	4.6
116.06227	1.9
117.07016	20.1
119.08569	19.9
121.06508	13.2
121.10139	8.7
123.08080	22.4
125.05941	2.0
126.37737	1.3
128.06189	2.6
129.06989	4.7
130.07773	11.1
131.08553	5.5
133.06506	6.2
133.10121	11.7
134.07153	1.2
135.08061	20.7
135.11699	13.2
137.05975	2.0
137.09592	4.8
143.08569	9.5
145.06519	1.5
145.10126	60.1
147.08058	10.7
147.11642	3.1
149.09581	4.5
151.07535	34.2
153.09099	1.4
155.08528	2.7
157.10117	6.5
159.08124	2.9
159.11703	6.7
161.09601	5.4
161.13280	3.8
163.11177	52.3
165.09119	14.4
167.08607	1.8
169.10107	3.4
171.08086	1.4
171.11703	3.8
173.09674	3.2
173.13219	3.0
175.11200	3.2
175.14793	1.6
177.09096	3.8
179.07014	3.4
179.10707	1.8
181.10092	1.8
183.11668	3.2
185.13237	2.0
187.11171	4.6
187.14844	1.3
189.12753	5.9
191.10556	1.9
191.14313	3.0
193.12224	1.4
197.13312	2.9
199.14896	1.4
203.14285	6.9
207.10089	2.1
207.13786	4.6
209.13345	2.4
209.15370	4.1
213.12631	1.5
215.14328	2.8
217.12158	1.9
221.15361	23.6
225.12796	1.4
227.14406	1.7
233.15344	2.4
238.77733	1.5
243.13728	1.6
251.14320	1.9
259.17041	1.5
263.16403	6.9
269.15384	3.7
274.19064	1.7
286.19293	4.3
307.20615	2.6
325.21643	7.5
343.22675	100.0
344.23007	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	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03938	2.5
55.01881	4.4
55.05266	1.1
55.05511	11.8
57.03438	4.9
57.07077	6.0
59.04994	4.3
64.79753	0.6
65.03936	2.2
67.05507	17.9
69.03434	8.2
69.07081	4.3
70.06571	0.8
71.01338	1.0
71.04998	14.9
77.03910	0.9
79.05499	14.7
81.03410	2.7
81.07058	22.5
83.04997	4.6
83.08618	2.2
85.06529	3.2
91.04908	1.3
91.05482	26.0
93.07047	51.7
95.04970	42.2
95.08610	61.8
97.06532	10.9
103.05466	3.0
105.07035	56.9
107.04957	2.7
107.08601	39.1
109.06527	11.4
109.10158	3.3
111.04428	1.3
111.08081	1.6
113.09620	0.8
115.05463	4.2
116.06235	0.8
117.07021	22.7
119.08591	20.3
120.09341	0.9
121.06512	12.0
121.10148	12.5
122.07280	1.9
123.07207	1.2
123.08070	18.7
125.06021	1.8
125.09629	0.9
128.06227	3.1
129.07007	4.5
130.07785	11.3
131.08562	8.4
133.06473	5.0
133.10139	12.2
134.07292	0.8
135.08063	17.8
135.11697	11.7
137.06009	1.6
137.09627	3.5
139.85023	0.7
141.07037	1.0
142.07771	2.8
143.08578	9.0
144.09332	1.2
145.06485	1.8
145.10126	61.6
147.08052	12.2
147.11736	4.2
149.09622	5.4
151.07547	34.1
153.09103	2.5
155.08572	2.1
156.09358	2.5
157.10115	8.4
159.08089	3.0
159.11668	5.5
161.09637	7.0
161.13266	3.0
163.11188	43.7
165.06999	0.9
165.09128	12.2
167.07091	1.1
167.08492	1.6
168.09235	0.8
169.10153	3.5
170.10901	1.1
171.08073	1.0
171.11714	4.3
173.09625	5.0
173.13261	2.5
175.11186	4.6
177.09140	4.6
179.07018	2.6
179.08516	1.2
179.10632	1.8
181.10156	2.0
181.12218	3.2
182.10991	1.2
183.11714	2.5
185.09647	1.6
185.13286	2.4
187.11252	4.0
187.14810	1.8
188.11861	0.8
189.09093	1.9
189.12712	6.3
191.14311	2.2
193.10178	1.4
194.10938	1.1
195.11716	2.1
197.13324	3.5
199.11215	1.5
199.14745	0.8
201.12802	2.1
202.13297	0.8
203.14317	7.7
207.10040	1.8
207.11708	1.9
207.13638	5.4
209.13264	2.1
209.15369	4.0
211.14630	0.9
213.12788	1.3
215.14333	2.1
217.12302	1.5
217.15758	1.0
221.15366	24.5
223.14828	1.7
225.12779	1.7
225.16281	1.7
227.14270	1.3
233.15276	3.4
240.23268	2.6
241.15892	2.0
243.13788	1.8
245.15390	1.0
247.17006	1.0
251.14156	1.1
259.17017	1.8
263.16422	4.3
266.71628	0.7
267.17477	0.9
269.15393	2.4
269.19150	0.7
279.20932	0.9
286.19171	3.4
287.16464	1.8
287.19980	1.6
297.22336	1.0
307.20599	2.7
325.21576	9.8
343.22684	100.0
344.23083	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	343.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.2
50.55430	0.2
51.02386	0.2
53.03949	1.4
55.01863	0.2
55.05507	0.4
57.07069	0.4
59.18591	0.2
60.04581	0.2
67.05509	0.4
69.03429	0.2
69.07059	0.3
70.06594	0.4
71.25121	0.3
73.80075	0.2
77.03917	0.4
77.51115	0.2
79.05498	0.5
79.59800	0.2
81.03367	0.2
81.07061	0.7
84.08140	0.2
85.02901	0.2
86.09694	0.2
91.05483	6.5
93.07045	10.5
95.04970	1.7
95.08611	0.7
103.05472	6.5
105.04530	0.8
105.07048	1.0
107.08608	0.8
109.06564	0.4
109.10158	0.4
112.28584	0.2
119.08582	0.6
121.06508	100.0
122.06859	0.7
122.09692	0.3
131.08556	0.2
133.10124	0.3
135.11726	0.3
137.05998	0.4
143.08603	0.2
145.10117	0.7
145.55716	0.2
147.04333	0.2
147.11676	0.2
150.12796	0.3
157.10139	0.5
159.11662	0.2
173.13225	0.2
175.08653	0.9
176.21407	0.2
183.11580	0.2
185.13333	0.3
196.13309	0.6
222.11220	0.3
223.14432	1.0
240.23225	1.6
269.16495	1.0
325.21622	0.2
343.11633	0.2
343.20084	7.8
356.57599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03947	0.7
55.05511	0.2
58.44926	0.1
60.54953	0.1
66.82401	0.1
67.05515	0.3
69.93536	0.1
69.93864	0.5
70.02952	0.2
77.03944	0.4
79.05496	5.3
81.07046	0.5
91.05477	0.2
93.05786	0.1
93.07066	0.3
95.04979	1.1
95.08611	0.3
103.05477	3.8
105.07036	100.0
106.07376	0.4
107.06056	0.2
107.08594	0.2
109.10213	0.1
121.10172	0.2
122.09672	1.7
130.30148	0.1
140.10724	0.7
145.10115	0.2
146.09639	0.3
149.10730	1.0
150.12755	0.2
159.09206	1.5
160.11166	0.1
164.10732	0.4
177.13916	0.3
182.11795	0.5
212.12808	3.1
212.14819	0.2
222.11215	0.2
226.15965	0.2
240.23282	0.4
244.16988	0.2
253.17000	3.8
271.18073	1.3
281.20166	0.8
286.18069	1.3
313.19073	0.2
316.19138	0.8
343.20154	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01872	6.4
55.05507	17.6
57.07071	7.3
61.90479	4.3
65.03936	9.0
67.05513	38.7
69.03426	7.2
69.07063	17.4
70.06600	5.6
71.10561	12.0
78.31405	4.3
79.05491	32.1
81.07059	32.6
83.04962	13.2
83.08602	8.0
85.06541	6.2
90.60496	5.0
91.05477	45.1
93.07042	67.2
95.04969	84.5
95.08605	32.1
97.06525	18.3
98.69339	4.6
99.76659	4.2
103.05468	4.8
105.07030	75.1
107.08604	36.4
109.06519	12.0
109.10145	12.4
109.15967	4.6
111.11793	5.4
115.05459	8.1
117.07020	18.8
119.08591	47.1
121.06491	22.5
121.10146	62.7
123.08043	8.7
125.09618	6.8
128.06216	14.6
129.06984	11.4
131.08566	41.8
131.93474	5.7
133.06435	5.3
133.10138	35.3
135.08078	31.3
139.11226	6.1
142.07805	25.2
143.08569	28.9
145.10132	36.4
147.08054	8.7
147.11687	14.8
149.09645	14.4
155.08557	13.5
157.10075	28.5
158.10825	4.7
159.08025	24.0
159.11722	15.4
161.09645	14.7
162.28935	4.8
167.08597	7.3
167.10677	100.0
169.10164	16.5
171.11687	14.1
173.13269	19.7
175.11180	6.7
179.08524	7.0
180.09271	5.2
181.10168	9.6
182.10849	11.1
183.11679	11.4
185.09613	20.3
187.14783	5.2
187.39314	5.3
193.10167	8.5
195.11697	13.5
197.13252	10.7
199.14920	6.7
207.11673	10.8
209.13245	5.8
211.14850	6.3
221.13211	9.1
222.14220	6.8
223.14839	9.8
229.19489	5.3
233.13223	7.9
233.15375	7.6
237.16418	7.3
240.23260	40.2
241.35611	4.8
298.25345	10.6
325.21585	8.2
343.22678	18.7
343.26450	13.5
344.25940	6.3
358.38623	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	343.1027
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
56.61998	0.3
65.03957	0.8
70.06596	1.6
70.43619	0.4
70.43943	0.7
72.08142	1.0
73.08474	0.3
73.27039	0.3
75.50166	0.3
78.24970	0.3
79.05485	0.4
81.87872	0.3
84.04531	0.3
84.08144	1.0
86.09705	1.6
91.05491	11.5
110.07192	0.4
111.82564	0.3
119.04955	24.4
120.08085	0.8
129.10222	0.4
147.04422	100.0
148.04761	0.8
343.12921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01871	1.0
55.05497	1.6
55.36075	0.4
56.05023	1.0
57.03440	0.8
57.07074	0.5
61.02921	1.6
65.03935	2.0
67.05503	0.7
69.03443	3.1
69.07074	1.2
70.06598	10.9
70.63799	1.1
71.01364	0.5
71.04974	1.3
71.06942	0.6
72.08157	4.1
73.08488	0.6
74.06055	0.5
79.05483	1.4
81.03417	1.0
81.07061	3.0
83.04977	1.7
83.06071	0.6
84.04507	2.4
84.08146	4.8
85.02910	6.8
86.09220	0.8
86.09710	8.1
87.10024	0.7
88.03980	0.5
91.05489	15.9
93.07050	2.6
95.04971	4.8
95.06053	0.7
95.08608	0.8
96.08121	0.7
97.02940	2.3
97.06525	0.8
98.09711	0.6
98.20919	0.5
99.04456	0.9
102.05539	1.0
105.07039	2.3
107.04974	0.6
107.08605	3.0
109.02897	1.3
109.06492	0.8
110.07158	1.5
110.09628	0.5
112.08738	0.7
115.08694	0.6
116.07098	2.3
119.04948	29.3
119.08578	1.3
120.08092	1.5
121.06514	3.1
121.10144	3.5
122.31560	0.5
123.08096	0.6
125.05992	2.1
127.03917	1.7
129.10228	2.2
130.05009	1.2
130.07803	0.6
132.10313	0.5
133.06506	0.5
133.10176	0.9
135.08040	0.5
135.11711	1.7
136.07593	0.6
137.05995	0.6
138.05486	0.5
141.10249	0.7
143.08549	0.6
145.04959	2.1
145.10112	5.2
145.11163	0.6
147.04419	100.0
147.11671	0.9
148.04753	1.1
149.09589	1.2
163.11188	24.0
164.11731	0.6
166.19341	0.5
172.05707	0.4
175.11176	1.0
181.12250	5.2
193.12265	1.1
221.11655	0.6
318.19138	0.5
342.87326	0.5
343.13092	1.4
343.19992	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96509	3.5
59.55324	0.7
71.50623	1.3
71.95219	0.7
80.75514	0.7
84.08112	0.8
98.97585	34.1
99.97885	1.5
101.00822	1.0
102.96831	1.7
116.98622	12.4
117.98907	0.9
134.99626	3.8
158.99889	0.9
174.97588	3.4
176.97392	2.2
177.00911	3.8
192.98708	2.0
198.97820	2.6
201.00946	0.9
216.95404	2.1
216.98773	13.3
217.98801	2.1
218.98485	5.5
219.01956	7.2
220.02159	1.3
229.33560	0.7
234.96385	3.2
234.99924	12.8
235.99823	1.8
236.99553	6.1
240.98904	15.6
241.98917	1.2
253.01079	1.3
257.97696	0.7
258.96606	6.2
258.99933	39.8
259.97290	1.2
259.99911	10.2
260.95633	0.8
260.99631	2.3
261.03140	4.9
264.98776	3.9
270.99765	1.7
274.97437	2.4
275.87909	0.7
276.97595	6.7
277.00980	17.5
278.00967	6.7
278.96796	2.9
279.00732	1.8
282.99991	100.0
284.00150	6.4
292.98532	1.1
296.97717	1.5
298.97836	1.0
300.97598	18.0
301.00989	96.1
301.97998	1.1
302.01126	5.1
303.62732	0.8
318.98669	20.5
319.02130	2.0
324.02704	1.7
325.01025	18.7
336.99493	0.9
342.98697	6.4
343.02145	73.0
344.02234	3.3
360.99646	13.2
361.03317	11.2
361.53989	0.8
366.03918	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52732	3.4
53.03942	7.5
54.16084	3.3
55.01874	6.4
55.05278	3.3
55.05514	47.1
56.32392	3.9
57.03448	25.8
57.07078	8.0
59.04997	4.2
67.05513	100.0
67.22710	3.7
68.99303	4.6
69.03435	10.8
69.07078	34.7
71.04996	26.9
71.08620	3.7
71.51891	5.4
79.05076	6.0
79.05500	68.4
81.03419	10.3
81.07066	83.4
83.04982	27.4
83.08616	24.4
84.58672	3.7
85.06554	8.5
91.05484	57.0
93.06486	7.1
93.07045	81.9
95.04971	20.1
95.08617	59.0
97.06534	23.3
97.10175	34.2
98.06078	3.5
99.04475	3.8
99.08105	4.1
103.07579	3.6
104.16984	3.4
105.07045	50.2
107.04960	6.8
107.08606	68.9
109.06519	16.5
109.10159	48.8
111.08073	16.5
115.07581	7.1
117.07011	16.1
119.08585	41.8
121.06489	7.1
121.10161	44.3
122.36978	4.1
123.08082	8.4
123.11687	5.7
125.09642	33.0
129.07001	11.5
131.08597	33.1
133.10164	27.7
135.08051	14.0
135.11688	17.4
137.09665	5.0
139.11212	19.2
143.08566	10.6
145.10150	23.4
147.11720	19.9
148.68564	3.8
149.09627	18.7
149.13261	8.3
151.11209	5.2
153.09027	4.1
155.10657	4.2
157.10136	8.8
159.11673	15.3
161.09676	5.6
161.13318	9.2
163.11195	13.5
167.10664	4.1
169.10213	6.3
171.11703	13.4
173.11842	8.4
173.13287	17.3
175.11307	4.4
175.14876	4.8
181.12230	6.1
183.10143	4.3
183.11719	5.9
185.13251	11.1
187.14861	12.3
189.11159	5.3
189.12750	9.6
193.12297	6.8
195.13831	4.4
197.13239	4.8
201.16484	4.1
203.12764	8.1
213.14796	4.4
219.17397	6.0
221.15372	7.9
229.15822	6.0
229.19504	4.2
235.16837	4.2
237.30872	3.6
239.17856	6.3
240.55846	3.8
247.20648	4.2
257.19031	12.5
275.20044	50.0
289.21655	9.5
293.21051	6.4
319.21133	13.7
337.22198	17.3
342.16293	4.3
342.37241	4.7
343.22665	4.8
347.75565	4.4
358.44730	4.1
361.85669	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	6.6
55.05513	19.8
57.03423	4.8
57.07081	14.7
59.04982	3.0
64.53017	2.9
67.05505	40.8
67.90529	2.8
69.03415	3.0
69.07066	9.6
71.08615	8.1
71.52485	3.2
73.99334	3.0
79.05505	22.9
81.03418	4.8
81.07057	35.9
83.04974	10.2
83.08609	11.5
85.06548	10.6
91.05476	21.0
93.07056	25.0
95.04955	13.7
95.08607	18.6
97.06559	2.7
97.10138	4.7
99.08134	3.8
105.07025	24.2
107.04971	8.6
107.08620	24.3
109.06496	5.8
109.10153	32.7
117.06959	5.5
119.08559	10.5
120.20438	2.9
121.06493	3.5
121.10143	9.8
123.08076	4.8
123.11702	8.3
125.09627	5.4
131.08575	10.3
133.06512	3.2
133.10138	44.9
135.08066	4.0
135.11705	6.9
137.09607	9.7
145.10149	10.5
147.11713	7.4
149.09573	5.8
151.11194	43.0
159.11717	3.9
163.11160	6.4
165.09123	4.0
175.11203	6.2
177.12733	3.5
179.10657	7.6
183.13792	12.8
189.12837	3.6
193.12215	4.2
195.13722	3.6
209.11713	3.7
229.39610	3.1
229.51262	2.8
230.24759	4.6
247.20851	3.4
257.19083	4.7
275.20142	32.8
283.26151	4.3
293.21094	16.2
295.73071	2.9
307.22653	16.8
342.37292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01874	15.5
55.05515	30.3
56.56789	2.9
57.03423	9.3
57.07089	21.3
57.44709	2.9
67.05180	4.5
67.05511	64.1
67.05848	6.9
69.03427	6.4
69.07077	19.1
69.14365	3.2
69.68816	19.3
71.04977	5.1
71.08618	7.6
74.76731	3.2
79.05492	27.0
81.03409	10.3
81.07063	69.4
83.05008	20.1
83.08621	16.5
85.06526	11.1
91.05486	47.9
93.07039	44.8
95.04971	12.2
95.08606	37.8
97.06536	6.1
97.10164	8.8
99.08089	4.0
99.22563	3.3
105.07039	44.0
107.04987	6.6
107.08604	42.2
107.51418	3.1
109.06505	9.1
109.10168	59.5
110.26771	2.9
111.08097	6.6
117.07022	6.9
119.08589	22.5
120.47541	2.9
121.06512	4.7
121.10148	15.7
123.08066	13.1
123.11736	19.0
125.09636	21.6
131.08545	11.4
133.10146	95.6
135.11671	10.6
137.09613	17.0
139.11078	3.5
141.09085	5.0
145.10098	13.5
147.11690	7.5
149.09630	8.6
151.11197	100.0
157.10126	3.7
159.11664	8.2
163.09869	4.6
163.11215	12.6
165.09183	6.9
171.11707	2.8
173.09619	5.9
173.13272	4.8
175.96605	2.7
177.12686	4.3
179.10672	11.5
183.12267	4.1
183.13800	33.7
188.61539	3.2
195.13881	4.4
209.11760	3.7
229.19556	4.3
247.20627	6.9
257.18988	7.7
275.20047	53.7
280.20935	3.4
293.21219	21.4
301.21570	9.4
307.22766	22.5
311.21368	3.5
339.68155	3.2
342.30978	15.1
342.37341	58.6
359.35901	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	342.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94682	0.9
55.01854	1.0
55.05504	1.1
56.05008	2.1
56.81350	0.9
57.03194	1.1
57.03442	12.9
57.07081	53.1
59.05006	2.1
61.02911	1.7
65.03904	0.9
67.05515	9.8
69.03437	6.8
69.07046	0.9
70.06595	10.8
70.41231	1.6
70.41561	1.1
71.04992	2.0
72.08161	6.3
73.02904	1.3
74.06073	0.9
81.03409	1.1
83.01320	0.8
83.06093	1.2
83.91329	1.0
84.04511	4.6
84.08150	5.3
85.02437	1.2
85.02914	13.8
85.06553	33.6
86.09711	5.7
91.05480	3.3
92.05828	0.9
95.04970	15.1
97.02915	4.7
98.09663	1.2
99.08080	2.6
101.06013	3.3
103.07590	100.0
107.61232	0.9
110.07141	1.8
111.00836	1.0
113.06001	3.7
119.04924	5.0
120.05267	1.9
120.08101	2.5
127.03918	2.2
127.07564	64.3
129.10239	2.1
130.02165	0.9
132.10175	2.5
137.05971	2.9
138.06328	1.9
145.04913	2.0
145.08611	16.7
147.04413	15.0
148.03683	0.9
148.04778	10.9
151.40294	0.8
162.02101	0.8
163.09669	76.5
174.12816	0.9
183.11337	2.0
184.06036	1.0
187.07579	1.2
188.07858	1.1
226.85789	0.8
235.78607	0.9
324.07901	1.0
342.19022	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03987	0.9
55.01943	3.0
56.38845	0.6
56.96335	1.2
56.96634	11.2
57.03503	1.8
57.53072	0.7
61.02996	1.8
67.05551	0.9
67.62402	0.6
67.84327	0.5
69.03502	5.6
69.79676	1.5
69.80070	1.2
70.06662	2.1
71.05025	0.8
72.96114	1.4
73.02995	2.1
73.22565	0.6
79.05540	1.3
79.89614	0.6
81.03426	3.7
82.06627	0.7
83.97662	0.7
84.08215	1.8
84.73498	0.5
84.96118	1.8
85.02908	6.6
86.09760	1.3
87.04541	2.1
91.05479	8.4
93.07121	1.3
95.05031	1.4
96.04553	0.8
97.02897	3.4
97.06635	0.6
98.09212	0.7
98.09777	2.8
98.20850	1.3
98.97591	11.6
99.04475	0.7
103.04028	0.8
103.04889	0.6
103.05554	2.3
105.07033	3.6
107.05025	2.3
109.02892	1.3
110.07229	1.0
110.97557	2.9
111.04546	0.7
112.89667	1.7
113.17392	0.7
114.05619	0.7
115.03967	0.6
115.05444	3.5
116.98640	6.4
117.07021	5.5
118.06601	0.8
119.04935	4.3
119.08648	1.9
121.06570	1.8
122.06087	1.4
123.04480	1.1
125.02380	1.3
127.03996	2.1
128.06244	6.6
128.06975	0.7
128.98683	2.3
129.07019	8.9
131.00221	1.0
131.04997	2.1
131.08571	5.6
133.06490	3.1
134.06055	1.1
134.99721	1.9
135.04456	2.4
135.05373	1.1
136.06189	16.4
136.07716	0.8
137.05992	1.7
139.03891	0.8
139.91493	5.9
141.07004	7.1
142.05435	0.7
143.04907	1.2
143.08551	4.5
145.05328	1.1
145.06535	4.2
146.06047	1.1
146.99756	0.9
147.04414	6.4
147.08096	2.6
149.06033	1.3
152.00200	0.9
153.07057	1.4
155.04936	1.2
155.06067	0.7
155.08589	1.1
156.08054	1.0
157.06503	6.8
158.04922	1.3
158.06062	0.8
158.15454	1.7
159.04497	0.9
159.08058	5.9
160.06499	1.5
160.07658	1.0
161.06029	2.2
162.07799	3.6
162.09004	0.7
163.04004	0.8
163.07515	1.0
164.06989	1.4
165.05495	3.0
167.07042	0.9
167.99632	0.9
168.00880	2.9
168.99220	2.1
169.06500	5.0
170.01222	1.0
170.04878	1.0
170.99792	0.8
171.04489	1.0
171.08104	2.7
172.07567	0.9
173.06059	3.1
174.09183	0.7
175.07579	2.2
176.07129	0.8
177.05498	0.9
180.08812	100.0
182.99741	0.7
183.04506	0.9
184.07607	1.3
185.05965	4.8
186.02095	1.1
186.09187	0.9
187.00296	6.4
187.07568	4.6
188.05753	0.8
188.07188	0.7
189.00685	0.8
189.04210	1.0
189.05629	1.0
189.09114	1.2
192.06644	0.8
197.06013	2.3
199.07520	1.7
201.05434	1.6
202.08676	0.7
203.07019	4.3
203.99734	1.3
204.01657	0.6
204.06552	1.2
205.01285	2.7
205.08632	0.7
206.06876	3.3
210.01843	2.7
211.00357	1.0
212.06885	1.3
213.05449	3.2
214.08508	1.1
215.07042	4.0
217.04996	0.9
218.08240	0.8
219.06514	0.8
221.08026	1.0
222.00629	1.5
222.07765	0.8
222.09819	1.2
224.08145	4.1
225.05376	1.0
226.03773	0.9
227.07462	0.9
228.02853	1.8
229.01363	4.3
229.04836	1.3
230.08012	0.7
231.06526	3.2
233.08089	1.8
234.00768	0.8
234.07594	1.7
235.06052	1.2
238.10460	0.6
238.55739	0.9
240.01671	0.8
241.01227	1.7
241.04912	0.8
242.07982	0.8
243.06512	4.2
245.08073	0.7
247.02228	1.2
248.09093	0.9
249.07524	1.5
250.10870	0.7
252.01736	3.5
252.08673	1.7
258.07544	0.9
259.05939	2.3
260.09006	1.6
261.07343	1.8
266.10019	1.3
270.02896	3.2
270.09772	7.1
271.05856	1.5
276.08502	2.4
277.06900	2.2
278.10168	1.2
279.08667	0.9
282.02762	1.3
288.03925	1.2
288.08508	1.3
294.02585	0.7
294.09528	2.5
300.03787	1.2
301.14462	3.6
306.09619	3.6
307.07858	0.9
319.04263	1.0
319.15414	12.3
324.10773	9.5
337.16171	1.4
342.11472	90.4
343.04153	2.8
343.11673	1.0
361.05148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97889	1.9
55.05514	50.9
57.03425	2.6
57.07078	50.4
59.04980	2.0
59.47494	1.9
65.94075	1.9
67.05508	22.3
69.07072	100.0
70.95974	4.1
71.04990	4.6
71.08639	40.6
71.18114	2.0
76.44454	2.0
77.60762	1.6
79.05499	8.9
81.07064	50.7
83.04972	4.3
83.08624	78.7
85.06538	7.9
85.10186	22.6
91.05490	6.1
93.07048	15.7
95.08610	53.4
97.06532	12.7
97.10173	51.7
99.11718	3.9
101.06036	2.4
105.07027	17.0
107.08587	18.8
109.06508	4.3
109.10163	29.3
111.08076	9.4
111.11720	29.0
113.13263	2.4
115.07578	11.1
119.08609	10.1
121.10153	16.7
123.08068	5.7
123.11704	15.3
125.09642	4.2
125.13282	17.1
127.07542	5.0
127.11206	2.0
129.09138	7.0
133.10103	14.7
135.11702	11.6
137.09590	6.3
137.13248	8.9
139.11162	4.2
139.14792	5.7
141.09158	3.2
143.10652	3.9
147.11700	12.1
149.13254	10.8
151.11205	6.8
151.14796	5.0
153.12779	4.5
153.16364	3.2
155.10658	5.6
157.12221	3.1
161.13298	14.0
163.14810	6.5
165.12770	17.3
167.14322	6.6
169.12299	4.3
171.13687	3.9
175.14841	6.1
177.16331	3.2
179.14348	15.9
181.15906	3.8
183.13823	8.2
185.15358	2.5
189.16379	4.4
191.17973	2.7
193.15887	7.5
197.15390	6.3
199.16901	2.4
203.17932	2.7
205.19516	3.0
207.17430	4.1
209.18987	2.4
211.16980	2.5
217.19560	1.8
221.19029	2.8
223.20534	3.2
225.18607	1.8
231.21249	2.6
235.20601	3.3
235.80403	1.8
241.21585	2.4
249.22115	2.7
263.27335	5.9
287.24557	2.1
287.27264	9.4
289.56320	1.9
305.28369	13.5
309.84692	1.8
341.26602	7.4
341.30576	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	341.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01865	3.2
55.05511	15.0
57.03430	3.4
57.07090	7.3
59.05000	3.4
60.23191	1.2
61.31556	1.6
65.03925	1.9
67.05507	30.2
68.09718	1.3
69.03422	6.5
69.06731	2.6
69.07071	30.1
70.06586	6.3
70.41869	4.7
71.04988	5.8
71.08616	4.6
72.08168	1.8
79.05489	18.7
81.07057	100.0
82.07388	1.9
83.04968	6.9
83.08640	13.2
84.08151	4.4
85.02928	1.8
85.06522	4.7
86.09715	2.8
91.05462	12.8
93.07043	45.0
95.04958	8.5
95.08608	74.9
97.02906	1.4
97.06551	7.0
97.10167	6.1
97.83805	1.4
98.97612	2.7
99.08082	1.8
105.07034	17.7
107.04973	3.5
107.08597	36.4
109.06505	8.4
109.10157	59.3
110.07186	2.4
111.08079	8.5
111.11713	4.5
113.06026	2.0
116.04991	3.5
117.07032	3.3
119.08572	14.4
120.08089	1.9
121.06526	11.1
121.10146	29.8
122.06001	2.4
122.09700	2.7
123.04401	1.8
123.08026	3.9
123.11714	41.7
125.05987	3.3
125.09613	3.8
128.07121	1.6
131.08563	5.8
133.06520	1.7
133.10132	12.0
135.08072	2.6
135.11684	23.6
136.07555	2.7
137.05939	4.2
137.09615	5.3
137.13248	37.3
139.11162	3.0
143.07043	2.1
143.08556	4.1
144.04449	9.4
145.10136	4.1
146.06010	1.7
147.07994	1.7
147.11687	10.7
149.06055	3.5
149.09676	3.5
149.13255	15.6
150.09102	2.2
151.11171	6.0
151.14806	3.5
153.09087	4.0
155.08641	1.8
155.10652	2.5
157.08662	2.8
157.10074	3.7
159.11696	6.7
161.09616	3.2
161.13263	4.7
163.07597	1.8
163.11169	5.6
163.14864	7.3
165.09106	1.9
165.12779	4.1
167.10693	3.8
171.11732	2.4
172.03943	22.5
173.13217	2.7
175.11279	2.2
175.14850	3.2
177.12766	8.2
177.16380	6.3
181.12233	3.5
189.16386	4.1
191.17987	2.3
195.13818	6.8
201.16504	2.2
203.17937	3.4
204.06567	39.7
205.12276	3.6
205.19514	4.9
213.16399	1.9
221.15268	1.7
223.17015	1.9
227.86659	1.5
235.16965	1.6
237.14880	6.4
244.14616	1.9
245.22627	2.1
249.18604	2.7
255.15948	10.6
259.24246	6.1
262.11804	2.0
269.22614	2.3
287.23743	7.4
291.19730	1.5
295.53101	1.7
305.24759	26.7
323.15009	8.2
323.25787	3.3
341.15948	7.4
341.21381	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89861	3.1
53.03939	5.5
54.12936	3.5
55.01881	6.5
55.05510	21.2
56.05019	3.4
57.03442	3.0
57.07080	6.9
60.04517	4.4
61.02913	3.3
65.03945	8.5
67.05505	38.4
68.99776	3.9
69.03419	10.2
69.07075	54.3
70.06590	18.3
71.04990	27.6
71.51942	3.1
71.52335	4.5
72.08145	7.2
75.56892	3.2
79.05485	32.1
80.05030	3.0
81.03411	6.4
81.07059	100.0
81.07538	5.6
82.06570	5.3
83.04962	9.8
83.08604	17.6
84.04510	5.1
84.08150	17.0
85.02941	4.3
85.06553	18.7
86.09705	14.8
91.05482	28.4
92.05016	6.9
93.07047	80.1
94.04205	2.9
95.04991	15.5
95.08611	64.8
97.06530	10.3
97.10208	3.6
98.09700	5.9
99.04453	4.1
99.08089	3.7
100.11270	4.8
103.05433	4.8
103.74675	2.8
105.03424	3.5
105.07039	29.6
107.04963	5.5
107.08601	53.3
108.08134	7.2
109.06504	8.9
109.10159	55.2
110.07198	4.0
111.08103	11.9
111.11730	9.1
113.09602	3.8
117.06949	3.0
119.08609	25.0
120.04458	10.4
120.08117	13.1
121.06519	15.2
121.10145	79.4
123.04484	4.5
123.08076	14.9
123.11706	60.4
124.07623	3.0
124.08439	9.0
124.11181	3.5
125.05970	6.9
125.09646	5.0
129.07004	5.4
129.09111	4.2
129.10246	7.6
130.04970	3.0
131.08577	7.6
133.10152	14.7
134.05998	3.2
135.08043	7.1
135.11705	39.6
136.07590	13.8
137.05977	29.4
137.09596	9.7
137.13239	8.6
139.11189	11.2
143.08565	4.0
144.04459	4.6
145.10139	15.7
147.04404	4.3
147.11696	14.6
149.09651	4.7
149.13272	15.5
151.11186	8.3
153.12778	8.7
155.10669	3.4
157.10109	4.0
159.07964	3.6
159.11705	13.2
160.03879	4.2
161.09634	3.1
161.13263	5.5
162.05504	7.1
163.11198	19.9
165.09000	4.1
165.12747	6.7
166.08778	3.2
167.14357	5.5
169.10126	4.7
169.12253	8.2
172.03957	15.5
173.13341	6.3
175.07504	6.4
175.14842	4.9
177.16306	3.2
178.05019	4.1
179.07074	3.8
179.14319	3.2
181.12241	15.1
182.15436	3.0
187.07545	7.2
188.03433	80.9
189.09050	3.5
189.16328	4.9
193.15836	4.7
200.14346	37.1
201.16422	7.1
204.06615	20.9
206.04491	4.9
213.16193	3.8
217.08755	3.4
219.08115	3.4
226.68642	3.1
229.18358	3.5
269.22818	4.4
279.10205	3.6
281.77609	3.2
287.23764	12.0
291.10190	4.7
293.24731	4.5
295.10883	3.7
296.20108	7.0
297.12292	5.0
299.10376	8.7
305.24731	28.5
309.11392	3.9
309.15350	5.8
311.12711	3.6
313.12042	4.5
323.10135	6.9
323.16907	5.6
323.25815	23.0
341.07419	4.1
341.11206	11.9
341.14795	5.7
341.18698	5.1
341.22055	27.7
342.20621	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	341.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.05515	14.9
57.07068	9.1
65.03941	1.9
65.48826	1.7
67.05508	27.1
69.03441	2.8
69.07069	31.8
70.06596	2.2
70.13713	5.3
71.08615	5.4
79.05502	15.5
81.07058	100.0
83.04991	2.5
83.08613	9.9
84.08141	3.4
85.02930	2.2
85.06560	3.5
91.05466	11.9
93.07049	30.2
95.04960	6.2
95.08611	81.8
97.06524	4.5
97.10166	3.9
99.08112	2.4
104.98648	1.5
105.07024	13.6
107.04983	2.2
107.08607	33.6
108.57446	1.4
109.06515	4.7
109.10164	57.6
111.08075	2.9
111.11726	5.6
117.07077	2.2
119.08587	13.1
120.08087	2.6
121.06546	3.7
121.10152	29.0
123.08097	3.4
123.10832	2.7
123.11714	43.3
125.05984	3.4
125.09669	2.8
127.07590	3.1
128.71709	1.5
129.07024	2.3
131.08611	4.2
133.10114	9.2
135.11705	21.2
137.02327	3.1
137.09610	4.9
137.13257	43.3
139.07587	3.0
141.09145	2.2
141.12804	1.8
143.08582	2.1
144.77812	1.6
145.10133	6.8
147.11734	10.8
149.09639	3.0
149.13277	17.4
151.11150	2.3
151.14886	3.1
153.09084	2.1
155.10735	2.4
157.10117	4.2
159.11667	3.3
161.09613	1.8
161.13261	5.9
163.11201	5.6
163.14828	8.0
165.12747	4.1
167.10635	3.9
169.10060	1.8
169.12277	1.9
171.11742	2.5
172.03949	6.3
173.13283	2.8
175.07523	1.6
175.11264	1.7
175.14844	5.5
177.12776	1.9
177.16379	9.2
181.10493	1.4
181.12239	4.7
189.16359	4.9
191.17989	3.7
193.12230	2.5
195.13913	2.1
195.17299	2.0
203.14417	1.9
203.18027	3.4
204.06575	6.5
205.19577	7.1
209.15181	1.6
213.16452	2.5
221.15254	1.9
221.18941	1.5
231.17404	3.5
235.16818	2.2
249.18523	4.2
259.24243	7.3
269.22653	3.8
287.23685	7.8
305.24780	28.9
323.20206	1.6
323.25671	2.6
341.21368	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	341.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.66404	0.1
57.07084	0.2
65.03640	0.2
65.03934	0.9
67.05498	0.5
69.07059	0.3
69.57658	1.1
70.06585	0.4
71.04977	0.2
79.05494	0.4
81.07051	0.7
83.08600	0.3
84.08126	0.3
85.42267	0.2
87.66798	0.2
89.03918	1.9
91.05473	0.4
93.07033	0.6
95.04966	0.3
95.08608	0.4
98.21484	0.4
98.62840	0.2
105.07034	0.7
107.07336	0.5
107.08588	0.2
108.08118	0.6
108.14980	0.2
109.10161	0.3
110.06050	0.2
110.09678	0.2
116.04980	8.4
117.07034	0.2
119.08587	0.6
120.08167	0.3
121.06496	0.3
121.10173	0.2
122.09669	0.6
123.11694	0.2
132.04425	0.3
133.10120	0.2
134.06009	0.6
134.07457	0.2
135.06776	0.2
135.08031	0.2
137.05939	0.2
137.29852	0.1
138.09149	0.2
140.32408	0.2
143.08559	0.3
144.04448	18.2
145.05124	0.2
145.10098	0.4
146.06030	0.4
149.02271	0.2
150.09146	2.4
151.09920	0.2
157.10132	0.3
161.05988	0.2
162.05502	5.2
169.10219	0.2
172.03932	59.8
173.04285	0.5
175.07372	0.2
175.25327	0.2
189.04222	0.4
190.04948	0.6
204.06560	100.0
205.06885	0.8
216.52242	0.2
309.12186	0.3
319.30963	0.2
341.11026	0.3
341.14691	0.8
341.21262	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2226
Annotation	Ibogaline
Peak:m/z	Relative Intensity
55.01868	0.2
55.05510	1.0
56.05007	0.2
56.05856	0.2
57.03442	0.2
63.39993	0.2
67.05497	0.9
67.14143	0.2
69.03413	0.3
69.07061	0.9
69.14920	1.6
69.15330	0.4
70.06585	0.3
71.04966	0.2
72.08164	0.3
74.92844	0.2
79.05490	0.4
81.07054	1.6
83.04987	0.3
83.08598	0.5
84.04483	0.5
84.08142	0.7
84.70690	0.2
85.06558	0.4
86.09693	0.6
91.05463	0.5
93.07014	0.9
95.04969	0.4
95.08602	1.5
95.22334	0.2
96.08145	0.2
97.06517	0.3
97.10130	0.3
100.11256	0.7
103.80425	0.2
105.07020	0.6
107.08581	0.9
109.06496	0.2
109.10152	1.1
110.07167	0.2
111.08105	0.3
119.08588	0.8
120.08102	0.4
121.06483	0.4
121.10147	0.7
123.11699	0.5
125.09650	0.4
129.09149	0.4
131.08530	0.3
133.10136	0.4
135.08080	0.2
135.11729	0.3
137.05923	0.3
137.09602	0.2
137.13272	0.2
139.11108	0.2
143.07352	0.2
145.10094	0.4
147.11681	0.3
149.13240	0.3
150.30270	0.2
154.12206	0.3
158.09546	0.3
159.11714	0.3
161.13170	0.2
184.11313	0.8
185.12003	0.5
187.13620	0.4
200.14345	100.0
201.14772	0.9
201.16530	0.3
204.06564	0.2
210.14841	0.3
228.17502	2.2
229.18260	16.3
230.18904	0.9
257.04889	0.2
266.39023	0.2
277.22910	0.2
298.20401	0.2
323.20660	0.3
341.22202	30.7
342.22858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01618	0.1
55.05520	0.1
56.05042	0.1
57.07080	0.1
60.33931	0.1
63.02374	0.2
64.01909	0.1
65.03936	0.9
67.01872	0.1
67.05489	0.2
69.03436	0.1
69.07059	0.3
70.06596	0.6
71.04982	0.1
71.47141	0.1
71.52158	0.1
76.03188	0.1
77.03925	0.1
79.05487	0.2
80.01402	0.1
81.07043	0.7
83.08601	0.1
84.04474	0.1
84.08132	0.2
85.02914	0.1
86.09721	0.1
89.03915	2.7
91.05471	0.2
92.04995	0.2
93.03412	0.2
93.05811	0.1
93.07033	0.3
94.06562	0.2
95.04960	0.2
95.08598	0.4
96.92200	0.1
97.02885	0.1
97.06534	0.1
98.06032	0.1
99.08080	0.1
103.05453	0.1
105.07033	0.3
106.06557	0.1
107.04993	0.1
107.07344	0.7
107.08588	0.2
108.08125	0.9
109.06510	0.1
109.10136	0.2
110.06081	0.1
110.07157	0.1
111.08033	0.1
112.11264	0.1
116.04977	11.6
117.05808	0.1
117.06966	0.1
118.06566	0.1
119.08568	0.2
120.08105	0.1
121.06452	0.1
121.08870	0.1
121.10147	0.2
122.09686	1.0
123.04414	0.1
123.08051	0.1
123.11700	0.1
131.08530	0.1
132.04439	0.4
133.05229	0.1
133.10112	0.1
134.06018	0.8
135.06773	0.2
135.11687	0.2
136.07590	0.1
137.06023	0.1
137.15973	0.1
138.09140	0.2
143.08545	0.1
144.04443	22.0
145.05232	0.5
145.10091	0.1
146.05997	0.6
147.11618	0.1
148.07568	0.1
150.09151	2.7
150.10353	0.2
157.07640	0.1
157.10121	0.1
160.03906	0.1
161.04712	0.2
162.05505	6.3
172.03928	69.5
173.04271	0.4
174.05515	0.2
176.07074	0.3
177.19701	0.1
181.12225	0.1
189.04205	0.3
190.04967	0.4
191.10576	0.1
204.06554	100.0
205.06909	0.7
253.13350	0.2
261.06445	0.1
281.12665	0.2
305.24673	0.3
309.12311	0.4
313.15436	0.2
313.21082	0.1
323.14325	0.1
327.13153	0.2
332.05911	0.1
341.14917	1.8
341.21356	0.2
341.27875	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	341.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38750	0.1
53.03951	0.1
55.05516	0.4
57.03424	0.2
57.07076	0.1
59.45090	0.1
63.02383	0.2
65.03925	0.6
67.05502	0.5
69.07063	0.7
70.06601	0.2
71.05009	0.2
71.52143	0.1
79.05505	0.5
81.07064	1.3
83.04992	0.2
83.08610	0.2
84.08138	0.3
85.06554	0.2
87.02378	0.1
89.03916	2.1
91.05489	0.5
92.04990	0.1
93.03442	0.1
93.07025	0.6
94.06573	0.1
95.04980	0.4
95.08623	0.9
97.06519	0.1
97.10179	0.1
99.08091	0.2
105.03397	0.1
105.07057	0.4
105.93436	0.1
107.07361	0.5
107.08569	0.6
108.08131	1.5
109.06548	0.2
109.10179	0.4
110.07164	0.1
111.04427	0.1
111.11738	0.1
116.04984	9.4
117.07066	0.1
119.04963	0.1
119.08579	0.3
120.08186	0.1
120.35007	0.1
121.06500	0.2
121.10134	0.5
122.09672	0.6
123.11726	0.5
127.11208	0.1
129.07011	0.1
131.08560	0.2
132.04474	0.3
133.10120	0.2
134.06041	0.8
134.71733	0.1
135.11699	0.4
136.07574	0.2
137.09651	0.2
138.09113	0.2
139.11171	0.1
143.08607	0.1
144.04456	19.6
145.05260	0.3
145.10120	0.3
146.06017	0.6
146.06969	0.1
146.50420	0.1
147.11687	0.2
148.07526	0.1
149.09526	0.1
149.13301	0.2
150.09152	2.1
157.07611	0.1
159.08116	0.1
159.11681	0.2
160.07616	0.1
161.04594	0.1
161.13217	0.1
162.05518	5.5
166.19560	0.1
169.00415	0.1
172.03941	61.5
173.04341	0.3
173.13260	0.2
174.05495	0.3
176.03447	0.1
176.07082	0.3
181.12228	0.1
189.04251	0.3
190.04990	0.5
204.06570	100.0
205.06877	0.5
206.08102	0.1
216.16330	0.1
222.04022	0.4
231.80086	0.1
234.06374	0.1
281.12799	0.4
287.20621	0.1
296.50745	0.1
305.24649	0.3
309.12424	0.7
313.11819	0.1
313.15372	0.2
323.25803	0.2
327.13519	0.1
341.11276	0.1
341.14966	1.5
341.21054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
53.43559	0.7
55.01870	2.8
55.05515	7.0
56.38434	0.7
57.03434	3.3
57.07071	1.0
59.05010	1.5
60.04530	1.0
60.83690	1.0
64.48804	0.8
65.03930	2.5
66.66391	0.8
67.05510	43.4
69.03431	3.8
69.07072	7.0
70.06596	2.8
70.63419	2.5
71.04989	3.6
79.05498	13.4
79.96670	0.8
81.03438	5.1
81.06588	1.8
81.07060	31.6
83.04979	2.1
83.08632	2.0
83.31452	0.8
84.04533	1.1
84.08153	3.3
85.02909	7.5
85.06558	3.0
86.09727	1.0
91.05486	17.0
91.06022	1.3
93.07049	21.0
94.35321	0.9
95.01329	5.0
95.04979	7.1
95.08613	15.5
97.02911	1.9
97.06528	1.8
98.09755	0.9
100.11264	1.3
103.05459	2.5
104.72178	0.9
105.03404	1.2
105.07042	8.0
107.04971	2.2
107.08593	23.9
108.02282	0.9
109.06532	11.1
109.10162	100.0
110.07133	0.9
111.00820	1.4
111.04517	1.1
114.69762	0.8
115.05462	1.3
116.04956	2.3
117.07030	4.6
119.06111	1.1
119.08591	26.2
121.06537	2.1
121.10155	12.9
122.03635	2.4
123.04498	1.9
123.08067	4.3
123.11701	2.7
128.06189	1.4
129.01831	2.2
129.07024	4.0
131.08580	1.2
132.05713	1.2
133.02893	2.2
133.10155	2.6
134.10625	1.1
135.11687	2.7
137.04910	1.0
137.05991	37.7
137.09619	42.7
137.13237	1.0
139.11171	1.6
141.01849	3.5
144.04433	4.2
145.06567	1.0
145.10126	2.4
147.04401	1.0
147.08049	22.7
147.11649	1.4
149.05998	1.2
149.13266	1.2
150.09212	1.1
151.07574	2.4
157.06514	1.4
159.11678	1.8
160.05234	1.5
161.13254	1.4
162.05556	1.4
163.07620	1.4
165.05513	2.1
165.09123	21.7
167.10654	1.1
170.54185	0.9
172.03935	10.6
172.05223	1.7
174.06747	1.4
175.07550	5.0
177.05467	1.9
179.07039	1.2
179.08513	1.0
182.15524	1.1
183.10178	10.4
183.11647	1.3
187.07556	14.2
189.09050	4.1
191.03496	1.0
191.08629	1.2
195.11964	0.9
196.05194	1.8
199.07564	1.2
202.07707	1.0
203.08569	4.6
203.10371	0.9
204.06549	22.5
205.06493	1.0
210.14981	2.0
210.53595	1.0
211.07558	6.3
217.08638	3.9
219.08084	2.6
220.08853	1.1
227.06990	6.7
231.08110	5.0
232.08775	1.3
235.13278	0.9
239.07021	3.8
240.07860	3.8
247.07513	3.0
248.08371	7.3
251.10764	1.9
255.06532	5.5
256.07346	3.1
261.09137	1.3
263.10751	6.3
265.08652	2.1
267.12250	1.5
270.08875	14.0
271.09665	16.6
276.07831	3.8
277.08588	1.9
279.10217	2.6
283.09637	3.9
288.15906	1.0
291.10156	17.2
292.11032	1.3
296.10333	2.2
300.56866	1.1
305.24799	1.4
308.10507	3.2
311.12903	4.2
323.09335	1.2
323.12881	15.8
341.14188	9.0
341.21304	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01871	1.9
55.05512	1.4
56.05035	1.3
65.03943	2.0
67.05495	1.5
67.23847	1.1
69.03424	2.4
69.07059	2.1
70.06595	7.8
70.31609	1.0
71.04979	4.6
71.21048	1.9
71.21383	0.9
72.08160	5.3
79.05493	3.3
81.07061	2.2
83.06081	1.2
84.04507	4.5
84.08150	12.0
85.02905	2.2
86.09701	11.9
91.05485	7.3
93.03374	1.3
93.07049	1.9
94.04192	2.3
96.08102	1.2
97.92563	1.2
98.09653	0.9
103.05467	1.9
105.06978	1.3
107.08601	2.6
108.04473	1.2
109.06516	2.5
110.07178	3.3
112.03906	0.9
115.05475	1.9
117.07034	1.6
119.04948	3.9
119.08540	1.1
120.08129	2.6
121.06479	1.4
122.03671	7.7
122.06051	1.4
122.09615	1.4
123.08102	1.2
128.06241	2.4
129.07024	7.5
129.10255	3.4
130.05009	6.4
131.04924	3.4
131.08542	1.7
133.02859	5.7
134.06065	1.5
135.07968	2.0
136.07573	1.6
137.05986	100.0
138.09154	1.5
143.04945	3.0
143.08499	1.2
144.05702	4.8
145.06471	2.2
146.07280	1.2
147.04396	4.0
147.08009	1.5
149.05975	4.6
151.03903	2.2
151.07584	7.4
153.05519	1.5
157.06531	5.5
158.07260	1.6
160.05232	5.6
161.05975	3.1
163.07536	3.5
163.11237	1.1
165.05507	6.5
165.06697	1.1
167.07106	1.2
172.05190	6.2
174.06796	8.3
175.07574	19.1
177.05431	7.1
177.09108	1.8
179.07033	3.7
187.07559	42.9
189.09113	13.9
191.06990	2.4
191.08565	2.4
193.10101	1.1
196.05228	4.9
197.05980	2.8
199.07581	2.9
200.13934	1.4
202.07751	4.7
203.08568	16.4
205.06578	2.8
205.08546	2.0
206.07265	1.3
206.56561	1.0
207.08070	1.4
208.08836	1.2
211.07539	19.8
212.04675	1.9
213.05482	2.7
217.08620	13.7
219.08038	9.5
220.08888	6.0
221.09711	2.0
225.05470	2.1
227.07027	23.7
227.09116	1.9
228.07712	1.4
228.13470	1.8
231.08058	13.1
232.08897	2.4
233.06004	3.1
233.09586	1.9
235.07561	2.1
236.08383	1.3
237.09189	2.3
239.07036	15.5
240.07849	12.5
241.05011	1.2
241.08647	3.3
247.07529	6.0
248.08337	23.1
249.09174	3.6
250.06364	1.5
251.10699	5.8
253.05035	1.2
253.08713	2.7
254.09450	1.6
255.06525	17.3
256.07330	8.3
259.07553	6.1
260.08331	2.7
261.09009	3.0
262.09882	2.1
263.07574	1.9
263.10672	21.1
263.13312	1.9
264.07751	3.6
265.08630	7.0
268.07294	4.0
269.08142	2.8
270.08878	41.1
271.09677	43.9
271.12607	2.5
276.07794	13.0
277.08612	7.3
279.10178	13.0
280.10968	3.0
281.08176	1.8
281.11765	2.6
282.08740	1.4
283.09656	11.3
285.11008	1.4
288.58618	1.0
291.10172	61.8
292.10913	4.6
293.08136	7.4
293.11551	1.9
295.09500	1.4
296.10471	5.9
297.11243	3.9
305.11786	2.2
305.15033	1.1
306.13736	1.4
307.09598	2.0
308.10397	9.6
309.11053	2.3
311.12827	14.0
313.14343	3.3
323.12781	48.3
323.15823	2.4
324.14108	1.0
341.13867	28.0
341.20792	3.0
353.45023	1.1
364.45001	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
60.74216	0.5
65.03955	0.7
70.06576	0.7
70.18162	1.8
84.08145	2.0
85.02885	0.7
91.05483	10.9
98.20854	1.1
99.05591	0.5
107.50329	0.5
111.00810	1.4
119.04947	23.6
121.06570	0.6
129.01836	1.9
137.05968	1.0
147.04419	100.0
148.04803	0.7
165.05515	0.7
179.03407	9.4
222.24455	0.5
323.07651	2.7
323.12366	0.7
341.17255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
54.58685	0.7
55.01875	2.3
55.05519	5.1
57.03440	3.0
57.07087	1.1
59.05016	1.2
65.03949	2.0
67.05514	43.1
69.03435	4.1
69.07072	6.1
70.06599	3.1
70.07225	3.0
71.04999	3.7
74.02448	1.1
79.05505	11.2
81.03418	3.6
81.07066	31.7
83.04993	1.7
83.08616	2.2
84.08140	2.1
85.02927	4.8
85.06551	2.4
86.09705	1.2
91.05491	21.6
93.07056	22.4
94.04150	0.9
95.01331	4.3
95.04987	10.0
95.08621	17.2
97.02910	2.0
97.06580	2.0
97.10173	1.8
100.11253	1.4
103.05467	1.7
105.07035	9.1
107.04951	2.4
107.08611	20.9
109.06535	10.5
109.10171	100.0
110.10497	1.3
111.00791	0.8
111.08044	0.8
115.05450	1.6
116.05007	1.6
117.07030	4.5
119.04943	0.9
119.08589	21.8
120.08079	1.2
121.06520	3.6
121.10155	11.7
122.03632	1.9
123.08082	4.5
123.11711	2.7
124.08403	1.3
125.09627	1.0
128.06172	1.1
129.01859	3.5
129.07034	4.1
131.08623	1.7
133.02876	2.6
133.06487	1.1
133.10135	3.3
135.08084	1.9
135.11694	2.9
137.05997	41.6
137.09630	42.3
137.13249	1.3
139.11221	1.2
141.01863	3.0
143.08580	1.0
144.04457	3.9
144.05595	1.4
145.06496	1.7
145.10149	2.0
147.04395	1.3
147.08076	19.4
147.09222	1.2
147.11705	1.1
149.05989	1.8
149.09605	1.3
149.13269	1.9
150.09106	1.1
151.03911	1.6
151.07555	2.9
153.05539	1.4
157.06503	1.6
159.03029	1.1
159.11714	1.3
160.05179	1.2
161.09682	1.2
161.13263	1.3
162.05516	1.3
163.07526	2.4
165.05516	2.7
165.09134	21.7
168.05710	1.0
171.11693	1.2
172.03963	13.6
172.05299	1.8
173.06058	1.3
174.06798	2.3
175.07573	6.4
177.05537	3.7
177.09074	1.1
179.07066	1.1
182.15401	2.1
183.10175	10.5
187.07549	15.1
189.09152	4.9
196.05254	1.3
199.07542	1.2
203.08592	4.3
204.06587	24.5
205.08519	1.0
211.07593	4.9
211.09262	0.9
213.05457	1.2
217.08629	6.0
219.08041	2.8
220.08925	2.0
227.07088	8.4
228.07729	1.6
231.08122	3.8
232.08836	1.3
235.07430	1.0
239.07007	4.2
240.07829	4.8
247.07481	2.0
248.08377	6.1
249.08936	1.5
251.10724	2.0
255.06564	4.8
256.07330	3.0
259.07632	2.2
261.09265	1.3
262.05933	0.9
263.10703	7.2
265.08682	2.3
267.12415	1.0
268.07361	1.3
268.21603	1.5
269.22736	1.0
270.08923	16.8
270.11725	1.3
271.09653	20.3
276.07834	3.3
277.08569	2.6
279.10196	4.4
280.11130	1.2
281.08105	1.2
283.09741	5.3
287.23737	1.7
291.10181	27.3
292.10907	1.7
293.08020	2.4
296.10410	3.2
297.11124	1.6
305.24710	1.7
308.10416	3.5
311.12772	7.4
313.14548	1.0
323.12805	22.5
341.14160	13.9
341.21207	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	340.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01856	0.5
55.05512	0.5
65.33586	0.4
69.07060	0.6
69.84290	1.3
69.84693	0.7
70.06580	1.3
79.05492	1.5
81.03395	0.8
81.07053	1.6
84.08147	1.5
86.09683	0.6
91.05482	8.3
93.07050	13.3
93.07642	0.7
95.04971	2.6
95.08594	0.7
97.06535	0.6
98.20832	0.6
100.11265	0.6
103.05470	8.4
105.04520	0.7
105.07042	5.6
106.06595	0.7
107.04957	1.3
110.07159	1.0
112.42072	0.5
118.06509	0.5
119.04929	0.5
119.08587	1.0
120.08113	0.6
121.06509	100.0
122.06875	0.6
123.08037	0.6
123.11708	0.5
129.55211	0.5
129.58403	0.5
131.08585	0.6
132.08128	0.6
133.10072	0.5
134.06013	3.8
140.55626	0.5
144.04431	0.5
145.93655	0.5
148.07570	0.6
148.11215	1.8
151.07529	0.5
161.07086	0.5
166.12265	1.9
172.03963	2.4
174.07892	0.9
176.10716	9.7
203.11800	26.8
204.06580	4.8
204.12044	0.6
220.14485	9.1
240.13750	0.5
268.16962	2.8
276.08945	0.5
277.60040	0.4
296.16464	8.0
313.19202	2.3
322.09064	1.1
331.14951	0.5
340.20169	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93742	2.3
53.03947	4.0
54.66215	2.2
55.01861	5.6
55.05501	13.5
57.03427	6.5
57.07067	2.8
63.16179	2.2
67.05505	49.3
69.03431	5.6
69.07068	10.4
79.05503	14.9
81.07059	45.7
82.65484	2.2
83.04989	27.1
83.08617	4.4
85.06518	7.1
91.05482	31.6
93.07043	24.6
95.04953	5.0
95.08601	7.9
97.06521	4.3
101.05946	2.1
105.07032	35.4
107.04945	3.2
107.08607	38.5
109.04891	2.3
109.06506	6.6
109.10153	52.6
115.07561	2.4
117.07076	4.4
119.08581	5.6
119.29279	2.4
121.10122	4.9
123.11719	17.5
125.06007	2.6
127.07527	3.0
131.08597	6.4
133.10136	89.5
149.09587	6.4
151.11186	100.0
161.09593	3.5
175.11234	3.4
177.09065	6.9
179.10687	14.1
183.13828	37.9
211.13258	5.0
229.14340	4.4
245.52705	2.2
263.19943	2.9
273.18423	8.7
288.95340	2.3
291.19565	11.3
305.21173	9.3
340.29150	2.5
340.35654	6.3
340.39328	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	340.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01875	0.4
55.05511	0.9
56.05043	0.2
57.03427	0.3
58.06604	0.4
65.03973	0.2
65.34955	0.1
67.05502	0.7
68.05033	2.0
69.03436	1.8
69.07072	2.5
70.06591	0.4
70.30017	0.5
71.04992	2.8
71.08616	0.2
73.59661	0.2
74.02430	0.7
79.05495	2.0
80.54375	0.1
81.07053	3.2
82.91127	0.2
83.04975	0.5
84.04500	0.7
84.08138	0.7
85.06548	0.4
86.09702	0.3
87.04447	0.2
91.05480	1.4
93.07047	6.4
95.04964	0.7
95.08623	0.7
96.04493	100.0
97.02898	0.8
97.04812	0.5
97.06506	0.7
98.09677	0.2
99.04460	0.6
100.11206	0.2
103.05470	0.3
105.07034	2.5
106.27830	0.1
107.04944	0.4
107.08598	4.8
109.06509	1.0
109.10175	0.3
110.06059	0.5
110.07163	0.3
111.08087	0.7
111.11733	0.3
113.06007	0.3
114.05532	34.1
117.07023	0.7
119.07820	0.2
119.08558	1.0
120.08134	0.3
121.06487	1.4
121.10146	3.7
122.06023	0.3
123.08042	0.5
123.11688	0.2
127.07530	0.2
130.07790	0.4
130.08650	0.9
131.08557	0.4
133.10135	0.5
135.08034	0.5
135.11693	0.9
136.07568	0.9
138.09097	0.2
139.07481	0.2
139.11154	0.6
140.07085	0.2
145.10135	2.3
146.06029	0.2
147.11662	0.3
148.07510	0.2
148.09731	0.2
149.08409	0.4
149.09610	1.7
150.09120	0.4
151.11200	0.7
158.07268	0.2
160.04001	0.2
163.09862	0.3
163.11189	3.9
164.07133	1.1
166.08621	0.2
167.10686	1.0
172.03940	0.3
173.09625	0.7
175.11070	0.3
182.08121	0.4
191.10608	1.1
192.06503	0.2
193.12210	0.3
199.74628	0.1
204.06554	0.7
220.13399	0.2
238.59357	0.2
267.00128	0.1
278.17636	0.2
280.15598	0.4
295.25482	0.2
304.08322	0.2
308.14865	0.8
309.12363	0.2
322.16663	0.3
322.20087	0.5
340.17554	8.1
340.21542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35690	1.6
53.03943	2.6
54.11847	1.7
55.01860	7.7
55.05489	5.4
56.05021	8.6
57.03409	5.6
60.04514	3.1
65.03950	3.3
67.05485	5.3
69.03452	9.2
69.07059	5.3
70.06603	27.6
70.63787	5.5
71.04969	3.9
71.06925	2.5
71.96082	1.9
72.08159	12.0
74.06068	1.7
79.05502	10.0
80.68723	1.6
81.03422	4.7
81.07038	6.9
82.06576	2.6
83.04948	1.9
84.04506	11.2
84.08150	24.8
85.02888	7.4
86.09710	23.7
87.00861	2.8
87.10024	2.1
91.05482	24.9
93.07030	9.0
95.04953	5.2
95.06094	3.3
95.08601	2.5
96.04465	2.9
97.02882	4.3
97.06519	3.9
98.09689	32.9
99.04454	2.6
101.24978	2.2
102.05507	2.1
103.05461	7.0
105.01845	5.2
105.03379	2.3
105.07026	19.9
107.04948	8.2
107.08586	2.7
108.04485	3.5
109.02889	3.1
109.06525	3.5
110.06025	2.1
110.07199	12.1
115.03924	4.6
115.05455	7.9
115.08710	2.5
116.07074	2.3
117.07034	19.9
118.06526	2.2
119.04945	10.8
119.08597	8.9
120.08140	9.3
121.02844	2.6
121.06503	8.7
121.10115	2.8
122.06031	2.8
123.04392	2.3
123.08068	4.2
127.03932	3.6
127.61926	1.7
128.06192	11.9
129.07014	32.5
129.10231	7.0
130.04991	4.5
130.07764	2.4
131.04916	5.7
131.08575	27.3
133.06494	8.6
133.10094	6.1
135.04414	3.6
135.08043	3.6
136.07558	6.9
137.05957	6.8
141.07019	11.4
142.07800	9.0
142.17441	2.2
143.08580	19.2
143.11784	8.8
144.05701	3.3
145.06490	14.3
145.10153	18.0
146.09628	2.0
147.04451	16.2
147.08072	12.4
147.11720	3.8
148.04774	3.6
148.07565	2.6
149.05972	3.0
149.09599	4.6
151.07501	2.0
153.06984	5.4
154.07721	6.2
155.06067	2.9
155.08542	15.5
156.07709	3.8
156.09322	3.6
157.06552	11.8
157.10085	10.7
158.07236	6.4
158.09509	2.3
159.04402	2.2
159.08031	12.6
159.11641	7.4
160.07529	2.8
161.06001	4.2
161.09598	5.6
162.05489	3.4
162.09200	2.0
163.11172	3.2
165.07008	3.2
165.09076	3.3
166.07701	4.3
169.06464	3.2
169.10089	5.4
170.07253	3.1
171.08113	9.7
171.11699	13.7
172.08849	2.5
173.06027	6.6
173.09604	16.2
173.13213	4.4
174.09164	2.4
175.07576	9.7
175.11179	5.4
176.10655	2.1
177.05563	4.2
177.09082	6.0
180.06514	2.7
181.10124	6.8
183.08118	4.9
183.11687	4.7
185.06007	6.4
185.09651	5.8
186.09134	2.2
187.07512	7.5
187.11137	11.0
189.09103	6.5
189.12794	4.3
190.08609	1.9
191.10611	4.2
197.09605	6.9
199.11176	17.3
201.09169	12.2
201.12706	4.1
203.07117	3.8
203.10471	4.5
204.10005	2.2
205.12146	2.5
209.09569	4.0
210.07629	2.6
211.07437	3.0
211.11461	3.7
213.09084	2.7
215.10744	16.8
217.08545	2.6
217.12207	9.8
219.10100	3.0
221.11765	2.4
225.09239	3.9
225.26631	1.9
227.10660	18.8
229.08566	3.2
229.12195	6.7
231.10094	3.6
231.13750	2.4
233.08083	2.0
233.11723	5.6
237.11177	2.0
242.11737	2.5
243.10144	10.5
244.13338	5.5
245.11761	20.8
247.09720	2.2
247.13335	8.2
249.11311	3.3
255.10097	7.9
259.13348	4.4
261.11255	18.1
263.12943	12.4
264.12296	2.1
271.09689	2.7
272.12781	3.5
273.11200	20.7
277.14380	13.4
278.13840	2.1
279.12323	22.4
287.12842	4.6
290.10434	2.8
290.13748	6.4
291.12405	13.9
305.13882	7.8
308.11359	2.8
308.14835	24.7
322.12766	4.8
322.16806	14.0
323.15744	3.3
340.13864	8.1
340.17520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03954	12.9
55.05500	32.4
57.07076	15.2
67.05505	46.7
69.03441	13.0
69.06788	7.7
69.07076	82.7
70.06597	17.1
70.70217	19.8
79.05486	27.4
81.07068	100.0
83.04999	14.1
83.08648	20.7
84.08144	20.1
85.06543	23.4
91.05471	21.1
93.07041	44.5
95.04935	17.7
95.08601	94.3
97.06521	17.0
97.10175	22.3
105.07060	41.6
107.08610	61.4
109.06531	13.6
109.10161	76.5
111.08076	13.9
119.08562	27.3
121.06523	8.7
121.10119	54.0
123.11709	59.1
125.09653	9.0
131.08603	10.5
133.10126	31.9
135.07936	10.2
135.11693	29.1
137.09622	18.8
137.13322	12.6
139.11201	11.1
143.08516	12.1
145.10086	18.4
146.12991	8.0
147.11644	29.6
149.13222	19.7
157.10194	11.9
161.13272	19.6
169.10059	14.0
173.09702	10.1
173.13365	10.5
185.13309	10.4
189.16402	10.9
192.69527	9.0
193.12219	14.1
223.93608	9.0
229.12022	9.4
253.17914	28.4
303.23203	76.3
304.05151	10.4
321.24295	20.3
329.40472	9.3
339.19510	19.6
339.23212	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	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
50.40438	1.9
53.03950	3.9
55.05518	13.8
57.03439	6.6
57.07067	5.4
57.73885	1.9
59.03716	1.9
65.03940	3.0
67.05508	85.3
69.03460	2.5
69.07082	21.3
70.81886	3.1
71.04994	3.1
71.08617	2.1
79.05495	41.0
81.07059	98.9
83.08608	11.8
84.08133	1.9
85.06541	5.0
86.30219	2.0
91.05480	24.8
91.67162	2.0
93.07045	56.8
95.08610	94.1
97.06538	7.0
97.10190	6.5
99.08125	2.8
105.07043	24.5
107.08601	45.1
109.06509	4.7
109.10158	48.7
111.08091	5.2
111.11768	2.6
113.09710	3.1
117.07009	8.5
119.08593	23.3
121.10147	35.6
123.08052	2.8
123.11703	19.7
123.16454	3.3
125.09683	3.1
130.07784	2.6
131.08586	21.5
133.10126	16.2
135.11684	36.2
137.09625	3.1
137.13301	3.3
139.11191	3.7
141.43367	2.2
143.08490	2.9
145.10126	21.6
147.11687	19.1
149.13251	21.9
151.11266	2.7
151.14774	4.5
157.10152	3.3
159.11687	21.9
161.13278	6.2
163.14835	7.9
165.12750	3.1
173.13252	14.7
177.12813	2.5
187.14822	5.5
193.05139	2.7
195.13809	2.9
219.21051	4.0
229.19543	32.9
247.20584	100.0
254.03142	2.1
265.21597	8.7
289.18039	2.6
321.24295	16.7
321.27551	3.3
339.19379	4.5
339.25363	32.1
339.28906	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	339.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.9
55.05509	0.8
60.29517	0.7
65.03948	0.8
70.06591	2.7
71.04973	0.7
71.21167	1.0
72.08170	1.6
76.31129	0.6
79.05498	4.0
81.07062	6.1
82.06591	0.9
84.04506	1.4
84.08147	2.5
86.45189	0.7
90.93098	0.6
91.05475	3.8
93.05801	2.0
93.07040	1.5
94.06569	3.0
95.04936	1.1
96.04514	1.0
96.08124	2.5
106.06573	1.2
108.04457	0.7
108.08124	1.5
109.06522	2.3
110.06059	7.7
110.07172	0.9
118.30798	0.6
118.40177	0.7
119.04967	1.0
120.04484	1.1
120.08086	0.8
122.06028	20.5
123.06824	2.3
124.07595	17.2
134.06020	21.4
136.07582	89.9
137.07938	3.5
138.05476	0.8
138.09183	1.0
140.06131	0.8
140.07040	4.3
147.04410	3.7
150.05492	5.3
152.07066	97.7
153.07446	1.1
158.08102	2.0
164.07071	100.0
165.02539	0.6
166.08618	1.1
168.06592	1.7
170.08138	13.1
172.11209	1.4
182.08130	28.9
186.12703	1.3
193.09695	1.6
194.10046	1.7
198.06018	0.8
200.10707	2.4
214.12230	2.5
223.69043	0.6
232.13252	1.9
242.11716	2.2
243.11180	0.9
251.90524	0.7
260.12799	5.5
275.14063	0.7
285.12253	2.6
303.13394	68.0
321.10977	1.2
321.14459	21.8
333.38702	0.7
339.07849	0.8
339.15378	2.9
339.18878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
50.89344	0.4
53.03953	1.5
55.01878	1.1
55.05515	23.0
57.03444	14.7
57.06868	0.4
57.07088	4.2
59.04982	0.5
59.05306	0.4
65.03955	2.2
67.05508	56.4
69.03416	0.6
69.07071	30.4
69.63306	2.2
70.99944	0.4
71.05001	1.8
71.08639	2.0
79.05496	15.8
79.95674	0.4
81.07060	50.8
82.07406	0.7
83.04980	2.0
83.08623	14.3
85.06551	2.5
85.10190	0.9
91.05486	8.7
93.07050	15.5
93.07645	0.8
95.04980	0.6
95.08611	40.0
97.06516	3.0
97.10175	7.5
98.20724	0.4
99.08092	1.1
101.06078	0.5
105.07027	7.9
106.07361	0.5
107.08595	8.2
109.06532	0.7
109.10164	15.8
111.08083	1.3
111.11730	1.4
113.09686	0.6
117.07044	0.5
119.08593	6.5
121.10146	7.0
123.08058	0.9
123.11717	6.6
125.09634	0.7
127.11270	0.5
128.60553	0.4
131.08551	0.7
133.10133	5.4
135.11708	3.9
137.09619	0.7
137.13263	2.4
139.11223	0.6
145.10207	0.7
147.11691	4.2
149.13255	2.6
151.14833	1.1
153.12714	0.6
161.13225	3.0
163.14845	2.4
163.16039	0.4
165.12793	0.5
175.14865	1.6
177.16489	1.3
181.15817	0.7
189.16365	0.8
203.17854	0.5
235.30482	0.4
245.22539	1.0
245.50580	0.4
263.23688	2.8
299.41147	0.5
319.26260	1.0
337.27374	100.0
338.27652	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2738
Annotation	Subamolide C
Peak:m/z	Relative Intensity
51.58133	0.5
53.03936	1.7
55.01871	1.0
55.05514	23.4
57.03439	15.8
57.07079	4.0
62.18563	0.5
65.03947	1.3
67.05508	53.5
69.07072	31.4
71.04984	1.6
71.08611	2.1
79.05494	12.1
81.07059	51.2
83.04963	2.1
83.08156	1.0
83.08622	16.0
84.53568	0.5
85.06543	1.4
91.05486	9.8
91.65998	0.5
93.06486	1.1
93.07044	13.9
95.08610	37.5
97.06554	3.2
97.10154	6.6
98.21558	0.9
99.08082	0.8
105.07027	6.6
107.08586	7.2
109.06522	0.6
109.10160	12.9
111.08083	1.8
111.11719	1.7
119.08596	5.8
121.10162	5.9
123.08086	1.0
123.11712	7.6
125.09676	1.3
131.08589	0.6
133.10112	5.0
135.11694	3.3
137.13237	2.4
139.11116	0.7
147.11697	2.9
149.13301	2.8
151.14648	0.7
153.12752	0.6
161.13257	3.3
163.14822	1.5
175.14822	2.3
189.16396	1.0
193.15775	0.6
214.69191	0.5
245.22679	0.9
263.23718	2.6
289.41479	0.6
337.27377	100.0
338.27686	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	2.7
67.05512	1.2
69.85860	1.7
69.86272	1.0
70.06593	0.8
70.98102	0.8
84.08142	1.9
85.08120	0.6
86.97540	0.5
93.13802	0.5
98.09698	9.9
98.21468	1.0
98.97562	3.3
110.97578	1.3
112.99158	1.1
115.50330	0.5
116.98668	0.9
123.91837	0.6
126.12785	1.3
128.98611	1.1
131.00191	3.8
140.14392	3.0
144.13847	10.1
146.99663	1.2
149.01225	3.6
156.13828	3.3
158.15411	100.0
159.15790	1.0
167.02315	0.7
167.90707	0.5
189.00734	1.1
191.02283	0.7
203.02405	0.7
212.97035	0.6
219.01900	1.0
229.80635	0.6
262.39902	0.6
263.00784	1.0
277.02289	0.7
295.06967	1.2
333.38205	0.6
337.08594	7.3
357.00565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03946	1.9
55.05515	26.3
55.70756	1.0
57.03195	1.2
57.03443	15.0
57.07087	5.8
60.33041	1.0
62.48698	1.0
65.03927	1.1
67.05507	52.1
69.07070	29.4
71.04983	1.4
71.08620	2.0
71.53132	2.1
79.05496	12.3
81.07060	46.5
83.04990	1.2
83.08620	16.9
85.06540	1.2
86.73780	1.0
91.05489	8.8
93.07053	13.1
95.08614	41.5
95.20911	1.0
97.06533	3.5
97.10180	8.3
105.07047	6.4
107.08594	6.5
109.10166	14.4
111.08080	3.0
111.11708	2.6
119.08604	5.6
121.10155	6.1
123.11745	6.9
133.10132	5.8
135.11685	3.2
137.13277	2.7
139.11200	1.6
146.56821	1.4
147.11699	4.0
149.13214	2.8
151.14774	1.2
161.13290	2.4
163.14856	1.4
175.14876	2.0
245.22719	1.7
263.23727	3.3
291.21243	1.1
337.27383	100.0
338.27734	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65190	0.5
53.03941	0.7
55.01867	1.0
55.05512	4.1
57.03442	2.8
58.06316	1.1
58.06604	21.2
58.89430	0.7
61.02932	4.1
69.03435	10.4
69.07072	17.8
70.06581	3.9
71.05005	1.6
71.20624	1.1
72.08153	1.7
73.02930	3.3
73.03550	0.6
81.03434	3.5
83.08648	0.6
85.02913	19.2
86.09700	1.8
87.04482	3.8
91.03960	1.4
97.02901	7.6
99.04446	2.2
101.02326	1.0
101.07092	0.6
109.02887	2.8
110.07211	0.7
110.21818	0.6
112.08694	0.7
127.03930	4.6
129.10245	0.8
129.18675	0.5
130.04921	0.7
136.07588	0.8
145.04973	2.0
156.17493	31.9
174.18546	97.5
177.05399	0.7
202.57733	0.7
216.19633	1.8
217.53810	0.6
237.53096	0.6
335.67798	0.7
336.23819	100.0
337.24347	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
67.90688	1.8
70.41315	7.0
83.60117	2.0
95.43392	2.1
98.09699	3.7
98.97617	4.7
100.59158	2.3
109.77942	2.0
112.89614	73.4
114.89350	32.8
116.89146	2.4
131.00191	2.8
133.03494	2.7
139.91481	21.6
141.91280	3.5
144.13898	3.0
145.03471	3.4
158.15433	13.6
158.48814	2.2
205.35159	2.2
217.01906	5.4
262.75787	3.3
337.08954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.8
57.03430	1.4
64.03884	1.2
67.05493	4.1
69.07062	1.2
69.60918	0.9
71.52197	1.3
75.46260	0.9
78.13528	1.1
79.05517	2.1
81.07046	4.4
82.09357	0.8
83.04955	1.0
83.08629	1.0
84.08121	1.4
91.05459	2.6
93.07048	3.6
95.08587	4.2
95.40150	1.0
105.07029	3.4
107.08582	3.1
109.10112	1.9
109.78940	0.8
119.08551	2.2
121.10125	2.6
129.07005	0.8
131.08603	2.1
133.10097	2.0
135.11681	1.0
143.08636	1.9
145.10106	1.8
150.02219	0.9
157.10135	1.1
197.13307	1.5
244.25568	0.9
317.17941	1.5
335.21921	100.0
336.22046	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	335.2217
Annotation	Phomactin A
Peak:m/z	Relative Intensity
55.01869	2.5
55.05493	6.8
57.07061	4.2
58.06586	1.8
59.04762	2.2
59.05003	30.5
65.03916	1.7
67.05505	16.9
69.03416	4.1
69.07041	4.1
70.06570	3.8
70.40972	1.8
71.52195	3.3
79.05502	9.0
81.07055	12.2
83.04955	2.5
83.08629	4.4
84.08121	2.9
85.06514	2.8
86.06039	2.3
87.04456	1.8
88.07635	13.7
89.07955	3.5
89.91373	1.9
91.05486	10.5
93.07054	12.6
95.04966	6.7
95.08611	34.7
97.02856	2.2
97.06529	3.4
104.07095	2.1
105.07017	12.6
107.04957	3.3
107.08598	20.4
108.54881	1.8
109.06494	5.8
109.10152	8.0
117.07037	2.9
119.08571	13.2
121.06499	4.8
121.10143	10.2
122.07284	2.3
123.04441	2.4
123.07219	2.9
123.08080	51.7
131.08559	8.8
131.09439	2.3
133.06487	3.6
133.10152	8.0
135.08043	6.8
135.11674	3.5
142.12286	5.6
143.08588	3.2
145.10153	4.9
146.05931	2.5
147.08057	6.3
147.11705	4.2
149.09627	7.3
151.07552	100.0
155.08586	2.6
155.10635	4.6
157.10194	2.8
159.08070	4.7
159.11708	2.1
161.09601	3.8
163.11179	2.4
171.11647	2.5
173.13258	4.8
174.09100	4.7
175.11168	4.8
185.13222	2.3
187.11217	2.3
189.12770	29.4
191.14337	3.7
192.11444	6.6
197.11708	7.5
207.13812	89.8
215.14496	2.6
229.12419	2.2
233.15431	14.8
243.25212	10.7
261.14822	2.4
267.17386	2.3
285.18439	3.4
287.27859	5.2
299.20218	2.3
303.19614	5.1
317.21973	9.5
335.22186	67.4
335.29785	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
55.05492	1.0
60.26510	0.3
67.05497	1.9
69.07044	0.7
69.72017	0.5
69.72423	1.5
70.06559	0.5
79.05478	1.1
81.07050	1.7
84.08128	0.3
91.05476	1.4
93.07041	1.5
95.08598	1.3
97.10107	0.4
100.11241	0.6
103.54172	0.3
105.07025	0.9
107.08567	0.6
109.10155	0.5
117.07041	0.3
119.08549	1.0
120.25356	0.4
121.06463	0.5
121.10141	0.9
131.08580	0.6
133.10133	0.6
147.11656	0.5
157.10077	0.5
159.11707	0.4
161.13252	0.3
171.11757	0.4
187.14755	0.5
233.08037	0.7
235.13068	0.5
246.94884	0.3
294.24274	0.6
317.21069	0.7
317.24728	0.7
335.21927	100.0
336.22171	1.4
336.25568	0.9
340.86499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
52.30441	0.3
53.03944	5.4
55.01863	1.3
55.05524	1.6
65.03945	0.3
67.05513	2.0
69.03433	2.8
69.07056	1.0
69.16896	0.7
69.17300	2.4
70.06589	0.8
71.04991	1.5
76.50911	0.3
79.05496	3.7
80.26698	0.3
81.03422	29.7
81.07061	5.7
83.04982	1.3
84.08144	0.4
85.06545	0.7
91.05492	2.7
93.07040	7.5
95.04987	1.7
95.08620	2.0
97.02896	1.1
97.06533	1.3
99.04455	3.3
105.07040	9.4
107.04951	0.9
107.08601	8.8
109.02884	100.0
109.06525	2.2
109.10148	1.2
111.04440	1.9
111.08087	1.3
115.05476	0.5
117.07057	1.7
119.08578	4.4
121.06510	5.1
121.10147	6.1
123.04454	0.8
123.08065	1.1
125.02354	1.0
126.05501	0.3
127.03919	5.0
128.06216	0.4
129.07034	0.8
130.07802	0.9
131.08562	1.5
133.06509	1.0
133.10130	2.2
135.08051	2.8
135.11682	2.8
137.05925	0.6
137.09631	0.8
139.07530	0.6
142.07683	0.3
143.08568	1.6
145.06511	0.6
145.10124	9.0
147.08072	1.4
147.11691	1.4
149.05981	1.0
149.09627	2.5
151.07481	0.8
151.11221	0.5
155.08554	1.0
157.06540	0.3
157.08649	0.4
157.10167	1.2
159.08080	0.6
159.11671	0.5
161.09645	4.6
162.10448	0.5
163.07591	0.9
163.11189	16.8
165.09187	0.7
169.10172	0.6
171.08115	0.8
171.11644	0.4
173.09648	2.0
175.07571	0.5
175.11223	1.1
177.12686	0.3
179.10732	0.8
181.12234	1.8
183.08139	0.6
183.10052	0.3
183.11723	0.6
185.09636	0.4
187.07466	0.5
187.11217	0.7
189.05501	0.6
189.09137	2.6
191.06992	0.4
191.10677	14.0
199.07584	0.4
201.09102	0.7
201.12714	0.5
203.10791	0.9
207.10141	0.8
209.11676	3.3
211.11160	0.6
213.09247	0.5
215.10838	0.4
215.14474	0.4
217.08548	0.3
219.10237	0.6
225.12845	0.9
227.10828	0.5
227.12744	1.6
229.12305	0.9
243.10368	0.3
243.13811	1.2
253.12234	2.8
255.13857	0.5
257.11984	0.6
271.13300	6.0
277.10904	0.8
281.11707	1.9
289.14362	2.6
299.12836	4.7
317.13895	2.8
317.21185	0.4
323.92188	0.5
335.15024	3.8
335.22409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
53.03948	6.0
55.01868	1.5
55.05504	1.1
65.03931	0.5
67.05499	2.1
69.03431	2.6
69.07070	0.7
69.81493	0.4
71.00064	0.6
71.04999	1.3
79.05493	3.8
81.03420	32.9
81.07059	5.8
83.04975	1.2
85.06551	1.0
91.05477	2.8
93.07045	7.6
95.04970	1.6
95.08610	1.8
97.02906	1.1
97.06535	1.8
98.09695	1.1
99.04451	3.9
99.10052	0.8
101.06017	0.4
103.05460	0.3
103.10443	0.3
105.07043	8.6
107.04944	1.0
107.08595	8.2
109.02883	100.0
109.06541	2.4
109.10167	0.6
110.03165	0.7
111.04430	2.0
111.08107	0.6
117.07005	1.8
119.08567	3.7
121.06506	5.3
121.10146	5.7
121.42899	0.4
122.06029	0.7
123.04435	0.9
123.08099	1.3
125.02369	1.1
127.03923	5.9
128.06245	0.5
129.07021	1.0
130.07762	0.7
131.08575	1.4
133.06546	0.7
133.10158	2.1
135.08061	3.4
135.11684	2.8
136.07597	1.4
137.06001	0.4
137.09610	0.6
142.07921	0.4
143.08559	2.1
145.06482	0.7
145.10132	9.4
147.08063	1.4
147.11700	1.5
149.05992	0.8
149.09625	2.7
151.07631	0.6
155.08542	1.1
157.10104	1.0
159.08069	0.7
161.06050	0.6
161.09618	4.7
163.11186	18.6
164.06999	1.8
165.09123	0.7
167.10692	0.8
169.10123	0.5
171.08081	0.5
172.08809	0.5
173.09592	2.7
175.07535	0.7
175.11160	1.1
178.05803	0.8
179.10725	1.2
181.12267	2.8
182.08162	1.5
183.08109	0.7
185.09682	0.7
187.07533	0.7
189.05492	0.5
189.09132	3.0
191.07060	0.4
191.08936	0.9
191.10664	14.2
191.12354	0.7
197.09651	0.4
201.09158	0.5
201.12617	0.4
203.10706	1.1
207.10135	1.0
209.11688	3.5
211.11247	0.9
213.09103	0.6
215.10722	0.8
217.08562	0.5
225.12721	0.7
227.12743	1.3
229.08611	0.7
229.12247	0.9
235.11301	0.4
239.10869	0.4
243.10181	0.8
243.13943	1.4
253.12209	2.2
257.11758	0.6
261.14920	0.8
271.13315	5.3
277.10751	1.2
281.11829	1.5
289.14337	3.2
299.12775	5.1
299.20154	0.5
317.13837	2.5
335.14999	4.5
335.20340	1.3
344.03036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.5
53.03946	5.7
55.01868	1.6
55.05505	1.6
59.70084	0.5
61.10144	0.6
65.03937	0.6
67.05505	2.6
69.03439	2.9
69.07072	15.2
69.99102	2.4
71.04994	1.2
73.03162	0.4
79.05505	4.0
81.03423	34.3
81.07063	5.5
82.80419	0.4
83.04980	1.2
91.05477	2.7
92.05000	0.7
93.07047	7.9
95.04985	2.1
95.08620	1.9
97.02893	1.0
97.06522	3.2
98.09708	1.2
99.04459	2.8
105.07032	8.7
107.08595	8.0
109.02885	100.0
109.06560	1.1
110.42704	0.5
111.04465	1.6
111.08070	0.7
117.07038	1.5
119.08590	4.4
121.06512	5.7
121.10155	5.5
122.05994	1.3
123.08068	0.7
125.02390	0.7
127.03930	4.5
128.06180	0.5
129.06984	0.6
131.08577	1.2
133.06509	1.4
133.10158	2.0
135.04378	0.6
135.08084	3.4
135.11696	1.8
137.05954	0.7
137.09673	0.6
137.61914	0.4
138.05481	0.8
140.07083	1.4
142.07809	0.9
143.08588	2.3
145.06529	0.9
145.10136	9.1
147.08060	1.3
147.11743	1.2
148.03944	1.2
149.05962	0.8
149.09625	2.7
150.05504	12.3
151.07602	0.5
155.08574	0.8
157.10147	1.2
161.06075	0.7
161.08429	0.9
161.09598	5.1
162.09195	0.5
163.11185	17.2
165.09193	0.8
166.05020	3.5
167.10719	0.8
171.08049	0.8
173.08366	0.8
173.09581	3.2
174.12775	0.6
175.11185	0.6
176.03397	1.1
179.10750	0.9
181.12274	2.1
183.11642	0.7
185.13298	0.5
187.11147	0.5
189.09129	2.8
191.10677	13.3
193.88348	0.7
200.10748	1.7
201.09225	0.8
202.12317	1.3
203.10716	1.4
207.10176	1.0
209.11710	2.9
211.11244	0.6
213.09206	0.6
218.11717	4.4
225.12737	0.8
227.12810	1.2
228.10233	1.7
229.12259	0.9
243.13739	1.0
246.11354	3.4
253.12283	2.4
255.13756	0.6
257.11938	0.5
271.10721	1.1
271.13333	5.2
272.09351	0.7
281.11749	1.7
281.80383	0.5
284.11273	0.6
287.10516	0.6
289.11746	1.3
289.14407	2.1
299.10483	0.8
299.12979	3.7
317.10782	4.1
317.14038	2.6
335.12357	3.5
335.15244	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	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
55.05487	1.2
56.05008	0.7
57.02131	0.4
65.03915	0.4
67.05487	0.6
69.85317	1.9
70.06272	0.5
70.06594	7.0
71.06905	0.8
72.08134	1.9
72.08484	0.5
76.03954	0.4
84.04491	1.1
84.08141	4.2
86.09698	3.2
87.09988	0.7
90.05506	0.4
91.05476	0.8
92.05011	0.5
93.07040	0.5
94.06533	1.2
95.04959	0.5
95.88383	0.4
96.04469	1.1
97.02883	0.6
101.07092	0.5
108.04442	1.4
108.08101	0.8
110.06017	1.2
110.07153	0.8
116.07056	0.8
117.07028	0.4
118.06525	0.4
120.04449	1.6
120.08105	2.0
121.06539	0.4
122.06001	2.4
124.03922	0.9
124.07573	1.4
128.06232	0.8
129.06978	1.1
129.10216	1.6
134.05995	0.7
136.03964	1.0
136.07576	5.0
138.05467	0.5
141.06917	0.4
143.07242	0.9
144.08075	2.6
145.06404	0.4
146.06021	0.7
146.08432	0.5
146.09612	1.5
147.09196	0.8
148.03911	1.2
148.06401	0.5
148.07529	1.1
150.05486	0.8
151.08627	0.6
152.07043	0.7
154.06497	0.5
155.07309	0.8
155.08527	0.6
156.08092	2.2
157.08830	0.8
158.06018	0.7
158.08418	0.8
158.09624	2.4
159.06757	0.5
160.07584	2.4
161.10776	0.5
162.05519	1.0
162.09161	0.5
164.07036	1.7
166.05061	0.6
168.08110	0.8
170.06010	0.6
170.09673	3.4
171.09233	0.6
172.07590	6.8
172.09933	1.2
172.11195	1.0
173.07153	0.7
173.10703	3.2
174.05640	0.4
174.07826	1.5
174.09155	3.1
175.08704	4.3
180.08165	0.5
182.08339	1.2
183.06732	1.0
183.09210	0.7
184.06044	0.8
184.07578	9.6
185.06978	1.0
185.08438	0.8
186.07816	1.4
186.09222	5.3
187.08630	2.6
187.12291	4.9
188.09416	1.6
188.10889	0.8
189.10228	4.2
192.02957	0.5
197.10715	1.6
198.09187	11.1
199.06940	0.6
199.08571	2.8
200.05292	0.5
200.07059	10.1
200.09398	4.4
200.10789	1.3
201.06520	0.7
201.10223	12.1
202.08603	1.2
203.08304	0.5
209.07098	0.4
211.08647	3.8
212.07166	2.7
212.09125	0.5
213.06517	2.6
213.10078	2.1
214.07008	3.5
214.10666	0.7
215.08292	2.1
215.11798	16.1
216.08748	1.1
217.09726	6.2
225.10207	3.0
226.08647	5.8
227.08134	8.1
228.06535	2.3
228.08945	2.7
229.09718	28.9
230.10292	0.5
231.11272	0.9
239.08086	2.4
240.06497	0.5
241.09795	2.4
242.08250	0.7
242.10547	2.1
243.07437	0.9
243.11304	31.1
244.08276	0.6
245.09222	27.8
253.09766	7.5
254.08116	1.5
256.08395	0.6
257.09192	13.1
258.09982	1.7
259.10751	5.8
260.09082	0.5
261.12305	0.7
269.09286	0.6
271.10773	100.0
272.08871	0.7
272.11346	0.8
273.12326	3.5
275.10388	0.9
277.11914	0.7
281.06207	0.7
281.09213	12.4
286.09488	0.7
287.10263	27.7
288.11014	1.4
289.11835	11.0
299.10275	33.2
304.10477	0.5
305.07758	0.7
305.11307	11.7
307.12918	0.8
317.11319	34.3
335.12372	15.8
335.15878	1.1
335.19388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72500	0.6
53.03951	1.3
55.01865	1.2
55.05515	4.8
55.27168	0.6
56.05041	1.2
56.96552	0.8
57.03437	1.5
65.03931	1.0
66.61964	0.7
67.05505	4.8
69.03431	2.1
69.07070	3.5
70.06593	4.0
71.04998	1.4
71.21359	0.8
79.05484	6.3
81.03417	1.9
81.07063	7.0
83.04975	2.8
83.08608	1.4
84.04517	1.3
84.08147	5.5
86.09706	2.2
91.05478	6.9
93.07043	13.3
94.07376	1.0
95.04972	2.7
95.08602	5.6
95.45071	0.6
97.02892	1.0
97.06535	4.2
98.09691	17.6
98.97594	1.1
99.04509	0.8
103.05467	4.4
105.07029	7.1
106.06536	1.4
107.04967	1.2
107.08615	4.5
109.02885	4.7
109.06512	2.3
109.10167	2.2
109.27515	0.7
110.07201	1.1
111.04444	0.8
111.08091	2.4
117.03397	1.1
118.06520	2.7
119.04938	1.0
119.08577	2.3
120.08106	1.6
121.06505	100.0
121.10127	1.3
122.06830	3.1
122.09681	1.4
122.10493	0.8
123.07240	1.1
123.08068	4.0
125.09659	0.9
129.10246	1.4
130.06493	0.9
131.07362	1.3
131.08507	1.0
132.08093	1.8
133.06497	0.9
133.10117	1.7
134.09662	0.9
135.08089	1.4
135.11685	0.8
136.07561	2.2
140.14323	2.4
145.02846	2.8
145.10178	0.9
146.06836	0.7
146.09607	1.8
148.07553	0.9
149.05943	0.7
149.09636	1.1
151.07509	0.8
152.03450	1.3
153.12752	2.3
158.15393	1.9
160.11253	2.1
162.09100	4.4
163.11134	1.2
174.12674	0.8
174.92586	0.7
176.10674	3.2
177.05482	3.4
190.12219	6.1
193.89955	0.8
201.12735	0.7
204.13867	1.4
214.05061	2.1
218.15402	65.3
244.12146	0.7
244.17079	1.1
244.20570	1.0
246.11244	4.8
246.15010	0.9
256.09830	1.0
272.20068	7.8
274.10718	3.8
290.21167	0.9
316.19174	0.8
316.22751	21.7
334.13058	10.0
334.20172	8.5
334.23758	91.9
335.23962	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	333.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.05510	2.8
56.05046	0.3
57.07097	0.3
65.03957	0.5
67.05512	3.1
68.05036	0.9
69.07081	1.5
70.06597	6.2
70.06965	0.5
70.51017	0.9
71.04977	0.5
79.05493	7.6
80.05013	0.6
81.07058	21.2
82.06596	1.1
83.07383	0.6
83.08618	0.5
84.08147	1.7
91.05485	2.8
93.07048	6.1
94.06578	1.2
95.04970	1.6
95.08607	2.6
96.08120	1.9
97.06554	0.5
98.98490	1.1
103.05475	0.7
105.07034	2.5
106.06579	0.4
107.07440	0.3
107.08598	5.7
108.08141	2.7
109.06493	1.9
109.10181	0.8
110.09699	1.1
112.11302	0.3
117.07033	0.9
119.08605	1.9
120.08114	8.4
121.06515	3.4
121.08887	0.8
121.10141	1.5
122.06847	2.6
122.09679	2.2
123.08067	1.2
124.11234	0.6
125.09662	0.4
129.06958	0.3
131.08591	0.8
132.08061	0.4
133.06491	0.6
133.08873	0.3
133.10132	1.5
134.09662	4.3
135.08076	1.7
135.10445	0.5
135.11542	0.4
136.11205	3.8
137.10796	0.3
137.11987	0.4
138.12784	8.7
142.07712	0.3
143.08611	0.3
145.10150	0.8
146.09625	1.4
147.08051	0.6
147.10411	0.3
147.11697	0.3
148.08830	0.9
148.11205	7.3
149.11993	1.4
149.13277	1.8
150.11632	0.6
150.12791	6.6
151.07553	1.1
151.12302	0.3
151.13509	0.4
153.09131	0.7
157.10120	0.4
159.11699	0.6
160.11234	2.3
161.09615	0.4
161.12006	0.4
162.12794	2.3
163.07564	1.0
173.13222	0.4
174.12791	2.4
175.13564	0.5
176.14378	1.1
188.14407	2.0
189.15152	0.5
190.15900	1.1
216.17465	1.2
218.19040	100.0
219.19377	1.0
247.13327	1.7
287.24817	7.7
315.19586	0.5
333.18991	3.2
333.25281	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	334.2016
Annotation	alpha-Eucaine
Peak:m/z	Relative Intensity
55.05513	0.5
67.05515	3.2
68.61080	0.4
69.07056	0.5
69.15484	4.5
70.06607	6.3
71.04984	0.4
71.09979	0.4
73.66890	0.3
81.07084	0.6
84.08153	1.7
89.03918	2.8
95.52504	0.4
96.08133	0.7
97.08890	0.5
98.09704	100.0
109.10141	0.7
111.10461	0.7
112.11266	0.6
112.27361	0.5
117.03394	12.8
118.81667	0.4
134.03618	0.9
135.04457	0.5
140.14357	33.3
145.02863	41.3
149.06006	3.8
158.15424	24.5
163.03943	0.6
177.05493	60.6
178.05827	0.6
291.72580	0.5
334.20154	86.5
335.20468	0.9
336.20538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.206
Annotation	Ptilodene
Peak:m/z	Relative Intensity
50.88127	1.3
53.03940	4.8
55.01871	3.2
55.05508	7.7
55.48317	1.1
57.03434	3.0
57.07075	2.4
59.04986	2.2
65.03934	3.1
67.05511	20.6
69.03431	8.7
69.07075	6.6
69.89593	1.1
70.06583	2.9
71.04993	5.5
79.05492	20.5
79.05925	2.6
81.03420	2.1
81.07059	18.0
83.04991	22.5
83.08617	5.5
84.08128	4.9
85.02899	3.1
85.06564	1.9
86.09718	2.0
91.05488	49.9
92.05842	1.9
93.06483	2.5
93.07048	40.2
94.06593	1.3
94.07372	2.6
95.04978	47.9
95.08609	19.0
97.02921	1.6
97.06533	12.3
97.10175	1.2
98.97594	1.3
98.97812	1.1
98.98483	13.5
99.04436	1.5
103.05475	7.0
104.05769	2.4
105.07034	27.4
107.04965	6.0
107.08606	33.5
108.05724	1.7
108.69698	1.2
109.02840	1.5
109.06532	18.8
109.10162	17.2
111.04436	3.7
111.08083	3.7
113.09660	1.3
115.05485	3.1
116.06264	2.5
117.07030	17.6
119.04947	2.0
119.08591	100.0
121.06515	50.1
121.07385	2.7
121.10156	32.3
122.06835	21.0
123.04409	3.7
123.08067	14.1
123.11742	3.5
125.05980	1.8
125.09656	3.9
128.06241	4.9
129.06999	9.2
131.08574	12.3
132.05673	5.2
133.06487	4.9
133.10146	10.7
135.08054	25.8
135.11653	2.9
136.08780	2.9
137.09639	8.6
139.07550	1.4
139.11183	1.3
143.08549	5.8
144.09363	2.7
145.06461	3.7
145.10115	11.6
146.07239	1.7
147.08055	63.1
147.11693	8.9
149.09645	21.3
149.13232	2.0
151.07538	5.1
151.11191	2.1
153.09094	4.0
155.08496	1.3
155.10594	1.8
156.09329	2.3
157.10161	6.1
159.08029	5.0
159.11737	7.4
160.08806	1.5
161.09625	13.0
161.13257	3.3
163.07558	2.7
163.11121	1.8
165.09125	9.2
167.10675	17.9
169.10144	2.1
169.34245	1.4
170.10999	2.7
171.11682	5.8
172.08888	1.9
173.09636	5.0
173.13252	7.2
175.07544	17.0
175.11195	5.3
175.14798	2.9
176.98969	2.4
177.12802	1.9
179.10698	1.9
181.10190	2.2
183.11703	3.0
185.09662	2.1
185.13216	3.7
187.11139	6.8
187.14812	2.9
188.11925	1.5
189.12750	23.7
191.14272	4.5
193.08609	34.6
193.10324	2.1
195.11705	1.9
197.09654	1.9
197.13211	3.0
199.11157	3.3
199.14767	2.2
201.12808	3.8
203.14268	5.1
203.15950	1.4
204.15138	2.7
205.12195	2.0
205.15887	1.3
207.13873	1.6
209.13319	2.1
209.15320	2.3
211.14807	2.2
212.12796	1.8
213.12801	6.8
213.16422	1.7
215.10748	1.9
215.14339	4.8
217.12216	2.4
221.13277	1.9
221.15344	2.0
225.16396	1.4
227.14270	2.0
229.15808	4.1
231.13736	2.0
233.11659	1.9
233.15352	8.8
239.14255	1.9
241.12181	2.8
243.11240	1.6
247.16663	1.5
257.15265	1.9
259.13354	2.1
269.18967	4.7
271.17059	1.3
273.12335	2.3
279.17343	1.9
287.20081	8.1
291.50589	1.4
297.18604	6.6
315.19684	25.4
333.14468	7.0
333.20288	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.206
Annotation	Japodagrone
Peak:m/z	Relative Intensity
53.03935	1.7
55.01876	2.2
55.05519	10.6
57.03420	1.6
57.07084	6.9
59.04992	3.1
65.03945	2.5
67.05509	10.2
69.03435	7.5
69.07063	4.0
69.94759	4.3
70.06573	2.5
71.04996	10.0
79.05069	2.0
79.05498	20.6
81.06600	1.3
81.07063	24.3
83.04984	12.1
83.08621	2.9
85.06519	1.7
88.03976	1.7
91.05489	21.5
93.07064	12.2
95.04977	45.2
95.08607	16.5
97.06525	6.3
97.10162	3.4
98.98475	9.8
99.04465	2.5
100.38371	1.1
100.98834	1.1
105.07036	18.8
107.04951	3.2
107.08606	54.7
109.06527	54.9
109.10152	3.6
111.08112	5.1
113.06015	1.0
115.05450	1.6
117.07027	5.8
119.06062	2.8
119.08601	8.8
121.06522	2.1
121.10136	3.0
123.08080	28.0
125.06013	2.2
125.09648	13.6
129.07002	1.5
131.08588	4.2
133.06514	2.8
133.10153	5.9
133.84972	1.0
135.08063	52.3
135.11649	1.2
137.06001	2.1
137.09654	1.7
143.08604	2.9
145.10139	4.2
147.08055	8.0
147.11646	1.8
149.09668	1.4
151.07549	30.5
153.09114	16.7
155.10681	1.3
156.09413	1.6
157.10103	2.5
159.08026	2.2
159.11700	2.9
160.69760	1.0
161.09602	2.5
163.07458	1.0
163.11133	1.8
165.09154	1.1
169.10229	1.5
171.11703	1.9
172.08813	1.9
174.10492	1.3
175.11040	1.3
177.09004	2.2
179.10629	1.2
181.12154	1.0
185.13290	1.2
187.11203	2.9
189.09251	1.1
189.12759	4.4
195.11815	1.4
196.72348	1.0
197.09641	1.8
207.13792	3.5
213.12723	2.3
215.10756	1.8
217.12325	1.5
218.19025	5.3
221.15234	1.5
241.12198	1.1
248.68369	1.0
259.13235	4.4
282.56860	1.0
297.18613	1.4
315.19604	7.1
333.20621	100.0
333.31192	3.8
347.92010	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.6
61.46455	0.4
66.34714	0.4
67.05505	0.9
69.03440	0.6
69.07076	0.6
70.06573	1.3
70.10303	1.3
70.98737	0.4
79.05487	1.5
81.07049	1.8
83.04971	1.0
83.08651	0.4
84.08145	0.6
85.06513	0.4
86.09716	0.5
88.07628	0.7
91.05481	1.6
93.07034	1.1
95.04939	0.6
95.08628	0.6
97.06536	0.6
98.20927	0.5
98.98472	5.2
105.07036	2.0
107.08601	3.6
107.92191	0.4
109.06514	1.5
109.10168	0.9
111.08055	0.5
114.31521	0.5
117.07021	0.8
119.08582	0.8
121.06524	1.0
123.08076	0.5
125.09636	4.7
133.10153	1.0
134.09700	0.4
135.08047	2.4
145.10136	0.6
151.07474	0.4
153.09091	0.7
157.10112	0.6
159.11696	0.5
161.09619	0.5
161.13380	0.5
163.07518	1.0
176.10677	0.5
176.98979	1.2
187.11197	0.5
209.08073	0.8
231.10168	0.8
234.70602	0.4
273.14590	0.5
333.20374	100.0
334.20758	1.5
334.29587	1.3
341.25378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	PGB3
Peak:m/z	Relative Intensity
51.84293	1.1
62.58275	1.1
67.05501	2.0
69.76812	1.4
71.28421	1.3
81.07039	1.4
83.04964	1.7
93.07050	1.9
95.08606	1.4
97.10184	1.2
98.98473	16.3
100.98907	1.2
105.07044	3.3
107.08636	1.7
119.08551	2.9
145.10226	1.2
149.09554	1.2
156.37453	1.3
176.98907	1.5
284.79871	1.3
315.19305	31.8
333.20395	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2061
Annotation	Japodagrone
Peak:m/z	Relative Intensity
53.03937	1.6
53.09192	0.8
55.01869	1.9
55.05518	8.3
55.92749	0.7
57.03428	1.5
57.07090	5.7
59.05009	4.0
61.30305	0.8
62.79586	0.7
65.03944	3.0
66.45818	0.7
67.05509	8.9
67.60583	0.7
67.77029	0.7
69.03431	7.6
69.07079	4.4
70.06596	3.5
70.68875	2.2
71.04996	10.4
79.05498	21.1
81.03426	0.8
81.07059	31.0
83.04981	10.7
83.08604	1.6
84.08121	0.9
85.06538	2.1
91.05489	18.8
93.06489	1.2
93.07050	12.6
94.04185	1.8
95.04971	40.6
95.08611	11.6
97.02887	1.3
97.06539	8.8
97.10177	2.8
98.98460	5.5
99.04456	1.8
100.98865	0.9
105.07038	17.2
106.07384	2.0
107.04962	2.9
107.08600	56.0
108.08160	1.5
109.06522	43.7
109.10143	3.7
111.04458	1.1
111.08086	5.6
115.05482	2.5
117.07018	5.0
119.06075	2.6
119.08582	5.5
120.08114	3.0
121.06493	2.5
121.10176	1.8
123.08071	22.1
125.05991	2.0
125.09633	14.3
131.08609	2.2
133.06476	1.8
133.10132	3.1
134.09702	1.1
135.08061	52.2
135.11702	1.9
136.11224	1.2
137.06012	1.7
137.09645	1.6
138.12799	1.8
145.10127	3.3
147.08049	6.0
147.11661	1.5
148.11258	2.4
149.09637	1.8
150.12799	2.5
151.07541	15.1
153.09116	16.5
155.08548	0.9
156.09312	1.1
157.10150	2.4
159.08043	1.5
159.11707	3.2
161.09634	3.0
163.11171	1.7
165.09117	1.2
169.10133	1.1
171.11713	2.6
172.08870	0.9
173.13293	1.1
175.11182	1.1
177.09155	2.2
185.13142	1.2
187.11198	3.2
189.12782	2.4
195.11708	1.1
197.09732	1.0
197.11723	0.9
199.11118	0.9
207.13934	1.9
213.12875	1.0
215.10715	2.3
217.12297	1.2
218.19043	32.0
241.12318	0.9
241.67023	0.7
247.13362	1.0
259.13309	4.3
277.14481	1.9
287.24854	2.4
297.18054	1.0
315.19608	7.5
333.20660	100.0
333.25134	3.1
334.20981	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78616	0.7
70.78954	0.5
80.07602	0.4
80.26886	0.4
81.07048	0.4
98.20886	0.5
98.98470	2.9
105.07024	0.7
107.08588	0.4
119.08536	0.5
137.05933	1.2
145.10193	0.4
186.49355	0.4
333.20374	100.0
334.20609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.9
57.07081	1.1
59.77352	0.7
61.09420	0.7
65.51631	0.7
67.05495	1.5
69.07061	0.9
70.06572	0.7
71.50880	0.8
73.99750	0.8
79.05489	1.9
81.07045	1.0
87.97289	0.7
91.37276	0.6
93.07047	2.0
94.38589	0.8
95.04996	0.9
95.08577	1.9
98.98477	12.1
105.07025	3.0
107.08570	1.6
109.10169	1.4
119.08582	2.3
121.06470	0.9
121.10124	1.6
131.08575	0.9
133.10120	2.2
135.08092	0.9
143.08513	1.0
145.10095	0.9
147.11696	1.9
148.87845	0.6
157.10130	0.9
159.11609	1.1
171.11668	0.8
173.13182	0.7
176.98875	1.5
181.73137	0.7
185.37880	0.6
193.04980	1.3
210.64113	1.4
224.65709	1.0
275.17889	1.3
333.20334	100.0
334.20804	0.8
342.06094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.2
57.03438	0.7
57.07067	1.2
58.44366	0.7
64.48508	0.6
67.05499	1.4
69.03418	1.2
69.07051	0.8
69.17593	7.0
70.06581	1.3
71.08622	0.7
79.05489	1.4
81.07052	2.9
83.04992	0.9
83.08644	0.9
84.08143	1.2
88.07648	0.7
91.05499	2.2
93.07043	2.2
95.04955	1.7
95.08598	2.1
98.09724	1.1
98.21517	1.7
98.98468	10.2
105.07040	4.4
106.07345	0.8
107.08616	3.7
109.06526	1.1
109.10187	1.0
111.08119	0.9
111.09110	0.7
119.08583	3.1
121.06551	1.2
121.10133	1.6
123.04481	0.7
123.08072	1.6
125.06010	1.6
125.09630	1.3
128.05305	0.7
131.08554	1.1
133.10135	2.3
135.08107	1.5
145.10123	1.7
147.08095	1.3
147.11713	1.5
149.02327	1.4
149.09636	0.9
151.07567	1.8
159.08084	1.1
159.11676	1.0
161.13177	1.4
163.11205	1.1
171.11678	1.4
173.13335	1.1
176.98981	1.5
185.13263	1.3
189.12715	0.7
193.05046	2.4
247.13069	2.0
259.13321	0.8
297.18512	2.5
302.24200	0.9
315.19409	8.4
333.20407	100.0
333.25821	3.6
334.20554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1158
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
55.05503	1.5
56.05032	1.2
56.96562	1.4
58.93538	0.4
60.04536	2.3
60.05663	0.6
61.02925	0.5
64.89009	0.4
67.05502	0.8
69.03421	1.3
69.07066	1.3
70.06595	6.1
70.41736	1.0
72.08164	6.0
73.08478	1.2
74.06067	1.7
81.64492	0.5
82.06582	0.6
84.04508	3.8
84.08151	13.0
84.96036	0.5
85.02896	1.9
85.04846	0.6
85.08449	1.1
86.09709	16.2
87.05579	0.7
87.10040	5.1
88.03985	0.8
90.05549	1.4
91.05459	0.9
96.04482	0.6
97.02888	1.7
97.06541	0.5
98.06067	1.0
98.97579	0.9
98.98478	8.5
100.98838	0.6
102.05527	1.4
103.05462	0.8
106.11693	0.5
107.04903	0.5
109.06541	0.5
110.06058	0.6
110.07178	1.5
110.97564	0.4
111.05643	0.4
112.08731	0.8
113.50833	0.4
115.08643	0.4
116.07098	0.7
119.04893	0.8
120.08095	1.6
121.06492	1.1
123.05613	0.6
127.03941	0.8
129.10248	5.7
130.05002	1.2
130.06522	2.1
130.08592	0.7
132.08084	1.7
132.10196	1.1
136.06184	1.1
136.07584	1.8
138.05525	0.5
143.11734	0.5
144.08110	0.4
147.04414	1.3
147.07675	0.8
147.11238	0.7
156.07655	0.4
158.05902	0.5
158.99612	0.6
159.09213	2.6
166.08537	0.5
170.05994	1.8
171.06335	1.3
176.98952	0.9
185.16428	2.2
186.16878	3.6
189.12364	0.8
197.12897	0.6
198.13228	0.5
200.18312	0.5
204.10738	0.5
213.16064	1.1
214.16272	2.0
215.13885	0.8
216.11363	0.6
216.14223	1.1
219.01840	0.7
237.02876	0.9
250.00424	0.6
268.01285	3.5
270.14838	0.5
273.09384	1.4
286.02277	1.2
296.09369	0.5
299.10214	0.7
315.13028	0.8
316.12796	0.9
333.11545	100.0
334.11884	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
56.05028	1.8
56.96335	0.7
56.96566	7.7
57.03427	2.3
60.04522	7.0
60.05648	1.4
61.02930	2.0
65.03954	0.6
66.73643	0.6
67.05473	0.9
68.05036	0.9
69.03431	5.5
69.07069	5.7
70.02944	3.7
70.06590	9.3
71.04999	1.0
71.06915	0.6
71.50842	1.1
72.04516	1.4
72.08159	4.5
72.08525	0.7
73.02915	1.8
74.06088	1.8
79.05492	1.2
81.03412	2.0
82.02956	0.7
84.04517	3.4
84.08146	16.5
84.96010	1.5
85.02908	13.5
85.04009	1.2
86.03234	0.7
86.06065	0.9
86.09710	79.1
87.04450	0.9
87.05596	10.5
87.10037	3.8
88.03997	8.0
91.05474	2.5
94.99825	0.9
96.04498	2.3
96.08126	3.9
97.02896	5.2
98.02418	6.6
98.06029	0.9
98.09693	2.4
98.97581	9.7
98.98463	7.2
99.04439	1.1
99.05573	1.5
101.00892	7.5
102.05524	0.7
103.04050	0.6
106.05020	4.8
107.04948	1.3
107.08501	0.9
108.08129	4.5
109.02866	2.2
109.08440	3.2
110.01308	0.9
110.02415	4.8
110.07183	1.8
110.09634	1.0
110.97565	2.9
111.02962	1.1
112.08710	1.3
112.11246	2.1
112.99194	0.6
113.00871	4.7
113.10754	4.2
114.05478	0.9
115.02406	1.2
115.03942	0.6
115.05012	1.1
116.03432	1.9
116.98629	3.7
117.04018	1.0
119.01926	10.2
119.04951	1.8
120.08078	1.0
121.06434	0.6
124.03977	1.0
124.99099	0.8
125.01820	0.7
127.00687	1.1
127.02415	2.5
127.03930	3.3
127.04814	0.6
128.98663	3.0
129.03976	6.6
129.10236	7.5
130.05016	1.9
130.06523	1.4
130.08676	1.6
130.10577	0.8
131.00218	0.7
131.01906	10.0
132.08078	2.8
133.03465	2.6
133.06082	2.1
134.99632	1.1
136.06209	1.0
136.07587	2.8
137.02925	0.8
137.06053	0.9
138.01588	0.8
138.09151	8.5
139.02412	0.8
139.30298	0.6
140.98595	0.8
141.06564	1.4
141.10226	12.3
142.01674	0.8
143.00179	1.5
143.01918	4.0
143.05577	0.7
145.01724	1.8
145.03471	9.7
146.99663	1.4
147.05077	23.9
147.11322	1.9
148.06108	1.7
148.07886	0.7
149.02982	1.0
149.06427	0.7
152.02312	2.7
152.07066	2.0
153.04002	4.2
153.07422	2.5
154.03851	2.0
155.01891	13.8
155.05547	0.9
155.11797	19.8
156.02689	2.9
156.13820	2.2
157.03503	6.8
157.13361	0.9
158.06049	0.7
158.99695	3.4
159.08058	0.7
159.09210	5.5
159.11380	0.9
161.01414	1.1
161.02910	8.0
161.04831	0.7
163.02718	0.8
163.04454	0.9
165.03992	2.3
165.06117	2.9
166.08672	3.1
167.01859	0.8
167.05551	1.2
168.03302	0.8
169.03433	1.0
170.06046	1.4
170.99637	1.3
171.05040	20.5
171.07448	1.0
173.01433	0.9
173.02977	14.7
173.06592	3.8
173.12805	3.7
175.04555	2.8
175.11967	0.8
177.00732	2.0
178.01082	1.0
179.01866	0.8
182.03358	2.2
182.99760	1.0
183.03462	1.3
183.05032	18.6
183.11292	14.7
185.03008	3.1
185.06630	8.5
186.04416	1.3
186.13225	1.3
187.02890	1.3
187.04564	1.3
188.19601	0.7
189.00748	1.1
189.06090	8.9
191.02283	0.9
191.03914	1.0
195.04955	1.6
196.02217	2.5
197.02975	1.4
197.06557	1.4
199.04561	1.2
200.13950	70.8
201.00764	1.6
201.06065	9.5
201.12352	2.5
201.53955	1.1
203.02274	1.2
203.03998	9.5
203.07791	1.3
204.05428	0.8
205.03764	0.7
207.05023	3.6
207.53859	3.7
211.10820	1.8
213.06090	7.0
215.07660	1.1
216.54428	6.6
219.01797	5.4
219.09691	1.3
219.13400	3.3
220.10228	0.9
221.05074	19.4
223.52789	0.8
225.00591	1.0
225.06105	7.1
226.05937	1.9
228.05429	1.4
228.13432	21.5
229.11853	3.6
231.07071	0.8
237.02805	4.5
245.05144	5.2
255.07170	10.5
257.11435	2.1
263.06134	1.3
268.07193	0.9
270.14395	0.7
273.08203	100.0
274.08371	2.1
281.11270	1.0
288.16971	1.3
289.06104	1.1
291.09253	24.1
298.14139	0.8
299.12469	3.0
307.07007	2.3
314.10834	1.2
315.12708	2.1
315.16595	3.4
316.12048	0.8
316.15356	1.1
332.59131	4.2
333.10211	22.7
333.13788	2.8
333.18784	6.0
333.60019	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.05502	2.3
56.05044	2.9
57.07071	0.7
63.86297	0.6
67.05485	2.0
68.05032	5.1
69.07074	3.0
69.76940	3.0
70.06580	1.1
74.73183	0.6
79.05489	3.7
80.05009	2.1
81.05782	2.5
81.06593	0.8
81.07057	12.5
82.06577	4.9
83.08623	0.8
83.52644	0.6
88.07651	0.9
91.05481	8.2
93.07044	12.8
93.31976	0.6
94.06564	0.9
95.04957	1.3
95.07337	2.0
95.08586	2.8
95.64355	0.6
96.08109	1.3
97.08889	1.2
98.09694	8.0
98.98481	2.7
101.58372	0.6
102.49254	0.5
103.05469	5.9
105.04495	0.7
105.07043	0.8
107.04958	29.6
107.08617	1.2
108.08120	4.3
108.76601	0.6
109.10141	1.1
110.09678	100.0
111.08109	0.8
120.05727	1.0
121.06502	59.6
133.06543	0.9
136.07574	2.2
150.09172	1.1
150.11229	1.2
166.15907	8.6
176.10698	1.5
194.15492	0.7
202.12251	1.1
208.16998	4.0
216.13829	3.6
217.14615	31.6
218.15378	7.1
270.24240	1.5
286.21646	29.7
314.21048	2.6
332.22214	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	332.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44323	0.4
53.03738	0.5
53.03953	2.4
55.05514	2.1
55.81208	0.6
56.05040	4.0
57.07071	0.7
67.05518	1.1
68.05025	4.1
69.07063	2.8
70.06585	0.8
70.63831	1.8
71.04973	0.7
77.03956	0.9
79.05491	4.0
80.05019	1.8
81.05790	3.2
81.07058	12.8
82.02866	0.5
82.06593	6.4
84.08150	1.1
90.06343	0.5
91.05491	10.8
93.07047	20.8
95.04971	2.8
95.07359	2.1
95.08623	2.0
96.08118	2.6
97.08901	2.6
98.09707	4.4
98.98470	9.9
100.98907	0.6
103.05471	12.5
105.04518	1.5
105.07045	1.5
107.04966	4.6
107.08613	2.5
108.08126	4.8
109.10150	0.8
110.09682	100.0
119.04865	0.5
119.08564	0.9
120.05753	1.0
121.06506	93.2
122.06860	0.7
124.11250	1.2
136.07559	0.9
149.13313	0.7
150.09122	1.2
166.15918	25.0
175.01602	1.4
176.01903	0.7
176.10713	1.9
176.98817	0.8
200.99449	0.5
202.12212	1.6
208.16896	0.5
216.13831	1.5
217.14618	34.9
218.15453	4.5
286.21661	54.8
287.22070	0.6
309.13174	0.6
314.21216	0.8
332.13345	2.3
332.18967	1.0
332.22223	16.3
332.31378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.6
56.05039	9.4
57.03440	1.0
58.06602	4.9
60.04527	0.6
60.05645	0.5
67.05515	0.6
69.03435	0.3
69.07078	1.6
70.02955	0.3
70.06597	6.8
70.90384	0.6
71.05013	0.6
72.08160	43.6
73.04058	1.7
74.06084	26.1
79.05486	0.3
81.07059	0.8
82.06580	0.9
83.04987	1.0
83.06098	0.4
83.08623	0.6
84.04510	9.0
84.08147	7.8
85.02901	0.7
85.08466	0.3
86.06088	0.3
86.09711	19.3
88.03995	0.3
91.05483	0.5
93.07051	1.0
94.06567	0.3
95.04971	0.5
95.08607	0.7
96.04483	0.6
96.08134	0.9
97.02896	0.3
98.06064	1.7
98.09705	1.4
98.98492	1.4
101.07150	22.9
102.05552	1.2
108.08125	1.1
110.07174	1.1
110.09683	5.5
112.07600	2.2
112.08760	0.7
112.11254	2.2
115.08705	0.4
116.07117	0.4
118.08654	0.5
119.04982	0.3
120.08117	2.1
121.06516	1.0
126.09178	0.6
128.07121	0.4
128.10730	15.2
129.10249	8.3
130.05034	0.4
130.06445	0.6
132.10213	3.0
136.06233	0.3
136.07556	1.3
137.10681	0.4
138.09145	0.6
139.08661	0.5
140.14355	0.6
142.12302	1.5
143.11803	0.7
146.05984	0.5
147.04378	0.3
148.07591	0.3
152.07109	0.3
152.10732	0.4
155.11748	2.1
156.10162	0.5
157.07634	0.7
170.11745	0.9
173.12869	100.0
175.08525	0.4
183.11330	0.4
185.16495	0.4
187.12753	0.4
187.14424	9.4
201.12354	44.7
203.06607	0.3
215.13921	5.3
219.13396	1.6
231.17101	2.7
288.18140	0.5
314.11526	0.6
331.93112	1.4
332.13211	0.7
332.18192	0.9
332.21747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98237	0.4
55.62380	0.5
56.05036	0.7
56.33305	0.4
58.60173	0.5
60.04527	18.7
69.07089	0.8
69.78051	3.0
70.02939	1.4
70.06598	1.5
79.08210	0.4
84.08141	1.2
85.07621	0.4
86.09708	82.6
87.05590	12.8
87.10022	0.7
91.05489	1.2
92.82417	0.5
93.07036	2.1
97.75737	0.5
98.09715	0.5
98.98447	0.9
103.05476	1.6
109.21676	0.4
112.11230	0.7
120.08088	3.0
121.06509	14.6
128.10715	10.6
132.10210	5.9
143.11810	0.6
164.13274	0.5
173.12865	100.0
174.13173	0.6
201.12350	34.6
212.12842	1.0
219.13393	0.9
245.18629	2.3
252.15651	0.5
268.24677	0.5
312.55273	0.5
332.18539	7.9
333.19043	0.5
341.49771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
55.05268	1.0
55.05517	9.0
56.05043	8.5
56.96566	1.0
57.03444	1.3
57.05826	1.1
58.06604	2.8
60.04534	1.6
60.05663	0.9
65.03938	0.7
67.05509	1.4
68.05025	0.7
68.99798	0.8
69.03434	1.3
69.07085	2.2
69.71072	0.6
70.06596	12.1
71.04993	1.5
71.51198	1.0
72.08166	100.0
73.02943	0.9
74.06091	44.3
77.99698	0.6
79.05487	0.8
81.07066	2.8
82.06591	1.0
82.07394	1.0
83.08614	0.8
84.04512	6.5
84.08153	14.1
85.02887	0.8
86.06069	1.2
86.09715	26.8
86.99114	0.7
88.03999	0.8
91.05463	3.8
93.07052	0.9
94.02923	0.8
94.06590	0.8
95.04999	0.7
95.06130	1.6
96.04507	1.2
97.02919	1.3
98.06090	1.4
98.09721	2.4
98.97553	1.4
98.98489	5.5
99.94434	0.6
101.07156	4.3
102.05576	1.2
103.05466	0.9
105.07039	3.6
107.05000	2.0
109.06568	0.7
110.07196	2.3
110.09730	2.0
111.09243	1.7
112.08756	0.9
112.11256	0.9
113.07190	0.6
114.05554	14.1
114.06310	1.2
119.04964	2.5
119.07378	1.2
120.08122	4.9
121.02881	7.0
121.06512	1.5
122.09676	0.7
123.04468	2.2
126.09200	1.4
128.10733	20.1
128.98502	0.8
129.10246	4.9
130.05078	0.8
132.10223	11.0
133.06532	2.8
134.06018	0.8
136.07620	4.2
137.07938	1.2
138.05493	0.8
138.09137	3.7
141.13852	1.1
142.12306	1.0
144.10231	0.7
147.04437	1.5
151.62053	0.6
155.11876	2.7
157.06863	0.8
158.07196	1.2
158.11766	0.6
161.06001	1.1
163.03976	2.4
168.10281	1.6
169.10652	0.8
169.13390	1.0
170.10756	0.9
173.12881	43.9
183.11345	3.7
187.14479	5.4
197.12943	1.6
199.07640	0.6
201.12370	51.3
202.12727	0.8
215.13914	3.0
223.07596	0.9
227.07104	1.0
232.59923	0.8
233.14984	28.1
242.03334	0.7
243.13626	1.8
251.03923	0.8
251.10768	1.5
255.10320	2.9
266.04434	1.2
267.01950	0.8
268.13358	1.0
284.04712	1.4
286.10739	1.2
288.18005	1.5
293.05200	2.3
296.19766	1.0
297.03131	0.8
297.11288	5.0
302.05829	0.8
303.01929	0.7
313.52768	0.7
314.08719	0.7
314.20850	5.0
319.92120	0.7
327.67599	1.6
331.93008	1.1
332.13596	2.8
332.17014	1.1
332.21793	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	332.1854
Annotation	Erythratidine
Peak:m/z	Relative Intensity
51.02380	0.4
53.03944	1.4
55.01868	0.5
55.05508	0.9
55.53740	0.3
56.05025	0.7
60.04536	1.5
67.05497	0.7
68.05013	0.4
69.03439	0.4
69.07052	1.0
70.06588	4.4
71.04980	0.4
71.31766	0.6
72.08157	2.0
77.03908	0.4
79.05477	0.4
81.03417	0.8
81.07070	1.1
84.04500	1.4
84.08147	3.8
85.02901	0.4
85.06574	0.4
86.06055	0.5
86.09710	5.7
87.04478	0.7
87.05602	0.3
88.04003	1.4
91.05481	8.1
93.07043	13.4
95.04981	2.1
95.06088	0.4
95.08613	0.3
96.04485	0.4
97.02850	0.3
98.06027	0.4
98.09682	0.4
98.98479	1.3
101.07080	0.3
102.05486	0.4
103.05470	9.1
103.06157	0.5
105.04520	0.8
105.07023	1.1
106.05022	1.1
107.04913	0.3
107.08602	0.9
109.06505	0.3
110.07146	1.1
112.08728	0.3
119.04954	0.3
120.08106	1.6
121.06504	100.0
122.02705	0.3
122.06849	0.6
122.09669	2.7
123.04469	0.3
123.14297	0.3
129.10272	1.4
130.04959	0.4
132.10178	0.3
135.11652	0.3
136.06201	0.3
136.07555	1.2
138.05508	0.3
139.07574	0.4
140.10718	1.8
140.14372	0.3
145.10127	0.4
149.09599	0.6
150.12712	0.4
152.07076	0.4
159.09328	0.3
160.40396	0.3
163.11188	1.4
164.10754	0.8
165.12830	0.3
167.10684	0.3
169.08606	0.5
172.40427	0.3
173.12848	1.9
182.08086	0.5
191.10713	0.4
193.12305	0.5
201.12358	0.9
211.13261	0.5
212.12811	10.5
219.13562	0.5
227.12836	0.7
260.16599	0.4
280.60904	0.3
287.15002	0.4
296.14957	0.3
302.17114	0.4
314.16214	0.5
314.19556	2.9
332.18576	53.7
333.18948	0.7
339.56091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2178
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
53.03938	1.5
55.01859	0.6
55.05500	0.9
56.05029	1.0
58.06609	0.5
60.04528	21.4
67.05522	0.9
68.05042	0.4
69.03439	0.6
69.06738	0.6
69.07073	6.5
70.02956	1.1
70.06597	5.9
70.90419	0.5
70.90729	0.5
72.08129	1.0
77.03938	0.6
78.02746	0.4
81.03381	0.8
81.07058	1.2
84.04501	1.1
84.08144	2.9
85.02896	0.5
86.09710	91.5
87.05595	9.8
87.10029	0.8
88.03996	3.6
91.05495	5.6
93.07051	12.0
95.04971	1.6
97.06569	0.6
98.98448	1.0
100.11240	0.6
103.05467	6.2
105.04515	0.8
105.06540	3.3
106.05032	1.9
107.08597	2.6
110.07162	0.6
110.09689	0.8
112.08720	0.4
120.08109	1.4
121.06509	63.9
121.10150	1.5
122.09673	2.5
128.10722	12.4
128.11682	0.8
129.10260	1.4
132.10216	6.4
135.08101	0.6
135.11690	0.7
136.07503	0.5
140.10803	0.9
145.10101	1.5
149.09618	0.5
160.42618	0.5
163.11116	2.8
167.10667	1.0
169.08603	1.0
173.12866	100.0
181.12270	0.9
183.11243	0.5
191.10648	1.1
201.12350	38.2
209.11681	0.8
211.13344	1.0
212.12811	5.7
219.13397	5.1
227.12767	1.4
245.18629	0.8
296.15054	0.7
314.15829	1.3
314.19925	0.7
332.05475	0.9
332.18600	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42622	1.1
55.05518	12.9
57.03444	8.6
57.07079	100.0
58.29564	1.1
61.86952	1.2
67.05185	1.7
67.05511	26.2
69.07070	18.6
69.60222	1.1
70.06580	4.2
70.95477	2.5
71.06902	1.8
71.08636	74.3
75.04466	3.9
75.51549	1.3
79.05487	2.6
81.06596	2.4
81.07059	37.1
83.08621	25.4
85.06541	1.3
85.10189	39.0
88.07644	5.5
89.05985	1.5
93.07008	1.8
95.08611	54.0
97.10165	13.7
98.98470	59.6
99.11713	3.7
100.98896	2.0
106.08669	2.9
109.10161	24.8
111.11709	3.2
119.08627	1.4
123.11716	13.8
125.13246	3.3
137.13237	6.0
140.01001	1.1
151.14740	2.5
165.16367	2.4
174.99246	2.5
176.98956	6.8
178.00934	1.1
221.22668	2.9
226.26979	1.2
235.17772	1.3
239.23697	30.2
254.99393	1.0
257.24615	7.3
258.37054	1.1
282.77841	1.4
294.47186	1.1
313.27386	78.0
313.33023	3.1
314.27612	1.8
331.18756	4.1
331.33990	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1343
Annotation	zinolol
Peak:m/z	Relative Intensity
53.87233	0.3
55.01881	0.5
55.05515	2.7
55.63544	0.3
56.05036	3.2
56.96566	1.0
57.03427	0.8
58.06609	0.8
58.46288	0.3
60.04538	2.5
60.05659	1.7
61.02935	0.9
67.05501	1.2
68.04716	0.4
68.05034	1.7
69.03442	1.9
69.07074	3.8
69.46128	0.8
69.46535	2.1
70.06598	11.3
71.05001	0.8
71.06944	0.7
72.08159	21.3
73.02910	1.8
74.06081	2.2
79.05499	5.2
80.05007	0.5
81.03423	0.9
81.05817	1.1
82.06602	0.7
83.05000	0.6
83.06108	0.5
84.04508	15.0
84.07636	0.9
84.08145	18.9
84.96027	0.4
85.02902	5.2
85.06520	0.4
85.08472	3.3
86.06076	0.5
86.09709	67.5
87.05522	0.4
87.10065	0.9
88.04011	0.4
90.05559	10.2
91.05479	1.2
94.02937	0.5
94.06570	0.7
95.04974	0.5
95.06098	0.6
96.04494	1.0
96.08139	13.8
97.02883	2.5
98.06055	1.0
98.09708	1.1
98.97573	0.6
98.98475	6.5
99.04436	0.4
100.07645	0.5
101.07168	0.5
101.10843	0.4
102.05542	5.3
107.04947	0.9
108.08122	1.9
109.02895	0.7
110.06065	1.4
110.07176	1.7
112.08743	1.6
113.07133	1.4
114.05565	1.2
115.08717	0.5
116.98676	0.6
118.08698	0.5
119.01849	0.4
119.04986	0.7
120.06594	1.2
120.08110	1.3
121.06490	1.0
122.06067	0.7
124.07597	16.2
124.11256	0.4
126.05496	0.5
127.03912	1.4
127.12337	1.6
128.12671	1.5
128.98633	0.5
129.06619	1.9
129.10274	4.9
130.05022	1.0
130.06551	0.9
130.08641	0.7
131.09010	0.5
134.06082	0.6
135.04414	0.4
135.06734	0.5
136.03922	0.4
136.06212	1.2
136.07582	3.2
137.08023	0.4
138.06621	0.5
138.09105	0.5
141.06589	1.0
142.08606	0.6
145.04976	1.4
147.04446	1.0
148.06029	0.6
150.05568	0.5
152.07074	63.6
155.02881	0.6
155.08171	0.5
157.13351	0.5
158.99701	0.6
159.09183	0.9
160.11293	0.6
162.09019	0.4
165.05475	0.6
168.06638	0.5
170.08131	100.0
170.11807	2.1
171.08414	0.5
171.12131	1.2
172.08708	0.6
178.12288	1.6
185.16504	17.8
185.98460	0.6
186.12294	0.4
187.14452	1.3
187.98589	0.7
188.14798	0.8
193.05028	0.9
193.09692	0.5
194.04590	0.5
195.90427	0.4
197.09207	0.8
197.12874	9.8
197.14491	0.4
201.08755	1.9
201.12427	0.8
201.53961	0.9
203.13971	1.5
210.54440	1.5
210.56281	0.4
211.04723	0.4
213.15968	8.5
215.13928	10.6
217.09715	0.5
219.01743	0.9
219.09818	0.6
219.13354	0.7
225.12334	4.4
233.15018	0.8
237.02919	0.9
243.13409	5.7
249.15967	0.5
282.56586	0.6
300.07562	0.5
311.68945	0.4
314.08841	0.5
314.12305	1.0
314.17203	0.8
314.20798	1.3
318.08536	0.5
320.67252	0.4
327.67551	0.5
327.92493	0.6
331.69183	0.4
331.86288	0.5
331.93076	3.8
332.09634	1.5
332.13400	3.0
332.17923	1.7
332.22556	6.1
332.43250	0.6
333.11597	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05511	12.8
57.03443	7.5
57.07080	100.0
57.89051	1.6
60.98335	1.5
67.05180	2.5
67.05508	25.9
69.07076	16.8
69.30917	8.5
69.31330	3.7
71.08637	74.1
75.04472	4.5
79.05499	1.9
79.44342	1.6
81.07066	38.6
83.08623	34.4
85.10188	41.1
89.06040	2.7
90.03906	1.3
93.07072	1.8
95.08614	58.1
97.10172	15.7
98.98477	32.7
99.08113	1.5
99.11730	3.9
103.07561	1.4
109.10161	26.9
111.11712	6.5
121.10121	1.7
123.11724	15.2
125.13274	3.3
137.13260	7.8
139.14830	1.9
151.14767	1.7
153.21570	1.4
165.16386	1.5
176.98920	2.2
221.22614	1.8
239.23708	33.6
257.24686	8.3
303.66602	1.4
313.27390	77.8
331.33939	4.4
335.72113	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80600	1.1
55.05511	7.3
55.09346	1.2
57.03433	5.4
57.07079	66.7
67.05508	17.8
69.07072	14.2
71.04990	1.6
71.08636	46.9
75.04481	2.8
76.78951	1.1
78.79053	1.1
79.05534	1.9
81.07061	23.1
83.08625	19.2
85.10188	27.4
86.50655	1.2
89.06008	1.2
91.05477	1.3
91.48206	1.2
93.07019	2.0
95.08614	41.6
97.10168	11.2
98.98474	100.0
99.11726	1.5
100.98888	2.9
105.07043	1.5
107.08591	1.9
109.10168	21.3
110.14979	1.4
111.11702	3.3
116.99466	1.4
123.11696	10.1
125.13260	3.2
137.13255	5.1
138.68785	1.1
139.14799	1.4
140.01057	1.5
151.11156	1.5
151.14859	2.2
157.31192	1.1
174.99246	4.7
176.98927	8.8
180.06065	1.2
221.22656	2.1
229.53630	1.2
229.56161	1.4
234.94928	1.2
239.23715	20.2
252.99686	2.2
257.24747	6.0
313.27383	58.6
331.22504	2.0
331.30325	1.4
331.34033	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	331.2842
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
52.32945	1.3
55.05515	13.1
57.03446	8.4
57.07080	100.0
63.56452	1.1
67.05511	23.8
69.07072	19.4
69.81764	5.4
71.08636	73.0
71.71222	1.2
75.04496	2.3
79.05497	1.5
80.37737	1.1
81.06590	2.2
81.07063	38.3
81.32577	1.2
83.08150	2.2
83.08627	25.4
85.10185	39.6
88.07633	1.6
89.06010	1.9
93.07053	1.4
95.08613	52.8
97.10167	14.0
98.20801	1.6
98.98477	15.9
99.11726	3.3
103.07613	2.2
109.10160	26.1
109.10844	2.0
111.11740	4.7
112.47512	1.3
123.11699	11.9
125.13297	2.7
132.32021	1.5
137.13251	7.1
139.14807	2.0
151.14867	3.4
160.10709	1.3
165.16388	2.0
174.99135	1.4
215.07745	1.1
221.22684	4.2
228.41957	1.2
239.23727	34.0
257.24802	7.1
313.27374	82.2
331.33997	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	331.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29562	0.7
53.64098	0.7
55.05504	1.4
56.05025	2.4
57.07074	0.8
60.04530	1.4
67.05491	1.1
68.05018	3.8
69.03432	4.1
69.07062	2.7
70.02968	0.9
70.06216	0.9
70.06591	15.9
71.04986	0.8
71.52447	0.9
72.08157	10.2
73.08485	1.8
74.06076	1.7
76.02221	0.9
79.05488	4.8
80.05017	0.9
81.04547	1.9
81.07053	3.5
82.05316	2.2
83.06104	9.2
84.04508	4.5
84.08139	11.3
86.09705	14.0
87.05595	2.3
87.10017	1.2
88.03987	1.2
91.05473	3.3
93.04532	4.5
93.07040	2.4
95.06096	37.7
95.08607	1.4
96.04502	1.1
97.15717	0.7
98.09668	1.0
98.98471	39.0
100.98887	1.3
102.05544	1.4
103.05453	2.5
105.07031	8.8
106.06548	7.6
107.08576	2.3
110.07168	100.0
111.05566	14.1
112.08731	36.4
118.06550	0.9
119.04951	1.3
119.08581	1.0
120.06638	0.9
120.08112	17.6
120.28165	0.9
121.06499	5.3
121.08405	0.9
121.10160	1.6
122.02671	2.0
122.06172	1.2
122.07155	15.7
122.09625	0.8
125.07076	1.2
125.09647	1.1
129.06999	0.8
129.10248	4.1
130.05023	2.2
131.08577	2.2
132.08086	2.2
133.08876	0.9
134.06017	21.6
134.09689	1.4
135.11711	1.3
136.03957	0.7
136.07578	3.3
137.05997	2.4
137.07909	1.0
138.51764	0.7
146.06017	1.1
148.11200	11.4
151.07539	0.9
156.07689	88.0
158.09596	0.9
160.07536	0.9
160.11128	1.0
161.06049	1.0
162.05521	1.6
164.03496	3.6
171.14970	1.7
172.15324	1.3
173.13248	0.9
174.13622	1.0
174.99243	1.7
175.11938	0.8
176.10712	46.5
176.98961	3.1
177.10228	4.7
182.08316	0.9
190.04961	4.4
191.14339	1.8
192.14682	4.2
195.07941	1.1
210.15704	3.6
217.73685	0.7
218.04321	0.9
223.07516	3.9
240.14973	2.2
242.16534	2.5
244.44443	0.8
250.07149	3.5
267.09744	7.4
269.16135	1.7
270.16003	5.1
277.13443	0.8
286.15598	4.6
287.18622	1.3
303.79742	2.3
313.11176	1.8
322.16699	1.0
331.12909	1.8
331.16888	6.8
331.20459	1.1
332.11557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2241
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
52.28835	0.5
70.63770	1.5
73.05189	0.7
73.55928	0.7
93.07037	0.8
98.98469	37.0
100.98904	0.6
116.99541	0.8
140.01056	0.8
172.61713	0.6
174.99243	2.5
176.98894	4.0
223.17792	0.6
252.99811	1.0
331.22446	100.0
332.22742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12737	3.9
52.23495	4.0
55.01867	12.2
55.05268	4.8
55.05517	46.1
57.03434	10.2
57.07061	13.7
67.05185	6.5
67.05510	77.2
69.03421	7.1
69.07072	37.8
69.10526	4.0
69.89278	9.9
69.89685	11.4
71.04996	10.4
71.08632	24.4
73.05982	4.6
73.63300	4.1
79.05496	57.4
81.07056	100.0
83.04989	26.0
83.08627	29.2
84.04508	11.2
85.06528	10.4
91.05484	32.0
93.06488	6.1
93.07050	82.2
95.04968	15.3
95.08606	57.3
97.06545	16.6
97.10162	10.1
97.69131	4.1
98.98480	59.4
99.08092	17.7
100.11235	8.5
105.07033	26.0
107.08598	35.2
109.06504	6.7
109.10152	16.9
111.08078	12.3
113.09576	4.7
117.07044	10.1
119.08582	19.6
121.06506	4.9
121.10142	27.7
123.11696	6.0
125.09633	13.3
129.07007	4.5
130.04996	8.2
131.08566	16.8
133.10124	29.6
135.11736	28.1
139.11189	38.2
145.10136	7.9
147.11685	15.8
149.13235	25.8
151.11174	14.4
157.10158	6.5
159.11700	16.6
161.13287	7.2
163.11197	5.0
163.79333	4.3
165.12836	5.4
174.99228	4.6
175.11192	7.5
175.14825	6.4
177.12788	14.3
189.11253	6.4
193.12283	9.0
195.13789	64.5
237.86792	4.5
241.19519	8.2
249.22136	7.3
259.20544	10.7
277.21628	64.9
279.56619	4.6
295.22696	31.8
309.94763	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	331.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.05510	4.7
56.05031	3.7
56.21248	1.9
57.03437	2.6
60.04515	2.2
65.03945	2.4
67.05520	8.9
69.03423	7.6
69.07056	4.0
69.14399	16.7
70.06596	32.5
71.04996	4.6
72.08177	8.2
72.08509	1.7
76.05457	1.7
79.05492	4.7
81.03420	2.1
81.07073	11.4
83.04988	4.4
84.04513	11.3
84.08147	26.0
85.02916	6.7
85.06554	14.5
85.08459	2.0
86.09707	32.8
87.10030	2.7
91.05482	34.3
93.07032	4.9
94.04173	2.2
95.04977	9.9
95.08638	2.2
97.06540	2.6
98.06075	3.3
98.09687	3.1
98.21567	2.8
98.98474	79.8
99.04446	2.0
103.05492	6.8
105.07035	10.6
107.04971	7.9
108.04440	1.7
108.08139	2.1
109.06520	5.5
109.10149	12.8
110.07167	6.9
111.08076	2.4
112.08710	3.1
113.06031	4.3
115.05475	2.3
116.07133	1.9
117.07027	2.3
119.04945	15.8
120.08113	12.2
121.06511	26.8
121.10146	5.4
122.03658	10.0
123.04436	2.5
123.08030	3.9
123.11703	10.0
125.05926	2.3
128.06224	3.4
128.07135	1.8
129.07016	13.9
129.10248	6.6
130.05046	2.6
131.04947	8.6
131.08575	5.1
132.10205	2.7
133.06506	4.2
134.06000	2.8
135.04420	1.6
135.08058	5.6
136.05209	4.6
136.07614	4.2
137.05981	82.8
139.11220	4.2
140.08151	1.7
145.06476	3.6
147.04420	4.0
149.05998	14.2
151.03941	3.6
151.06316	4.5
151.07550	84.8
151.11188	5.8
152.06151	3.3
157.06505	12.8
159.09258	2.7
161.05977	21.1
161.09619	5.8
163.07545	25.6
165.05807	1.9
165.06984	10.8
165.09140	5.3
166.07738	2.2
167.08598	14.2
169.12247	100.0
170.09683	1.7
171.07941	1.8
173.12880	3.8
174.06770	6.4
174.99255	4.1
175.07530	5.1
176.10754	1.8
176.98941	6.1
177.09158	3.7
178.07813	5.4
181.06485	6.2
181.10046	1.8
187.12343	1.8
189.09106	39.1
192.09225	2.8
193.06499	6.7
193.08374	1.7
193.10146	5.7
194.07204	2.5
195.08069	24.3
196.08763	3.0
197.05972	3.7
201.12300	2.2
206.07387	1.9
207.10188	7.4
209.06123	2.9
209.09605	4.0
210.06729	9.9
211.07550	3.8
212.08308	4.2
214.11116	1.6
215.11786	4.2
220.08766	2.4
221.06061	8.2
221.09554	10.1
223.07552	12.4
224.08434	4.0
225.05409	1.8
225.09038	11.1
227.10623	22.2
231.11244	2.1
234.06729	2.3
235.07584	1.9
237.09053	2.5
238.06284	5.8
240.07793	2.6
243.11305	17.9
245.11244	2.2
249.09073	7.1
253.08601	16.4
253.12291	15.3
254.09425	2.1
255.06264	1.9
255.10184	32.4
266.09476	2.5
267.10181	5.6
269.08252	3.6
269.12787	1.7
271.10806	9.1
272.10510	2.8
280.53125	1.9
281.11829	5.8
284.81549	1.9
285.11200	21.0
287.12744	55.3
301.14380	2.6
303.13245	8.7
313.11407	6.2
313.14413	15.2
331.12549	4.1
331.17038	15.3
332.18536	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01870	1.6
55.05513	16.2
57.07073	2.0
57.17965	1.3
59.04991	2.1
67.05508	16.0
69.03432	2.2
69.07076	9.5
69.78555	7.2
71.08636	55.2
71.69711	1.2
77.39045	1.3
79.05498	17.1
81.07057	27.7
83.04980	4.1
83.08624	16.0
87.04482	2.8
91.05486	12.1
93.07044	19.7
95.04967	3.0
95.08614	18.2
97.06533	3.4
97.10181	19.2
98.58642	1.5
98.98470	100.0
99.08097	53.7
99.08765	2.0
105.07025	14.0
107.04987	1.5
107.08601	12.5
109.06519	2.6
109.10160	2.4
110.42068	1.5
111.08104	2.4
113.09641	2.6
116.99472	2.0
117.07033	2.4
119.08588	8.0
121.06501	11.0
121.10155	6.1
125.09633	18.2
131.08539	1.5
133.10133	8.2
135.08063	1.7
135.11705	6.0
139.07536	2.4
145.10202	2.6
149.13292	2.0
151.11192	31.7
159.11673	2.2
161.13242	17.8
163.11221	15.0
165.12694	1.7
171.10193	4.8
171.11566	1.8
174.99210	6.5
175.99617	1.8
176.98924	5.5
177.99426	1.5
179.14310	24.2
185.13353	2.0
189.11264	23.4
198.14984	1.7
241.19630	3.2
254.99269	1.5
259.20560	8.3
277.21634	60.8
292.86960	1.4
295.22690	17.8
295.44855	1.4
312.19492	3.6
316.61240	1.3
330.20688	4.4
330.30011	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	329.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.7
57.07049	2.4
62.88697	1.8
67.05514	10.1
67.54807	1.8
69.03414	4.0
69.07072	12.6
70.03855	6.6
70.97849	1.7
71.34090	1.8
73.45222	1.6
79.05476	3.1
81.07036	15.7
83.04984	4.6
83.08611	8.7
85.06552	12.4
86.64169	1.7
87.00828	8.2
91.05444	3.4
93.07044	5.2
95.04988	3.4
95.08609	59.8
97.06514	3.3
98.98472	80.6
99.08092	5.9
105.07018	8.3
107.08613	10.0
109.06510	4.3
109.10140	6.7
111.08089	3.6
113.09652	4.8
119.08581	11.7
121.10159	16.8
123.08055	14.6
127.07555	2.7
133.10103	3.3
135.11693	7.4
137.09633	3.0
137.13286	3.2
139.11156	2.4
141.09122	2.4
149.09691	2.6
151.07524	3.5
151.11197	1.8
151.14774	3.1
153.89735	1.7
161.13280	16.1
174.99257	8.3
176.98944	4.2
179.14310	18.2
185.11787	2.2
189.12720	2.0
191.97577	1.8
195.11482	1.8
197.15381	100.0
207.13809	5.9
225.14867	7.8
239.16594	2.5
243.16029	9.3
265.14346	2.3
267.15997	2.7
283.15375	9.5
293.13626	2.3
311.14816	12.9
329.18195	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	330.2388
Annotation	Val Val Ile
Peak:m/z	Relative Intensity
53.03934	0.4
55.05516	6.9
55.06855	0.2
56.05035	1.0
57.05820	0.8
60.04512	0.2
60.05655	0.2
67.05511	0.5
69.03430	0.6
69.07069	0.9
69.67692	0.7
69.68093	0.6
70.02911	0.3
70.06595	3.5
72.08158	100.0
74.06095	0.4
76.04000	0.4
81.07024	0.4
84.04504	4.1
84.08153	2.8
86.09710	14.1
86.99049	0.3
87.05567	0.4
88.03946	0.3
91.05476	0.8
93.07030	0.3
98.09702	0.3
98.20817	0.5
98.42653	0.3
98.98470	5.4
100.07623	0.6
102.05556	0.5
103.05444	0.3
105.07053	0.4
109.10145	0.3
110.07155	0.7
112.08755	0.3
116.01668	0.5
119.04995	0.4
119.08593	0.3
120.08109	1.3
121.06518	0.8
122.02711	0.5
122.06916	0.2
129.10265	1.5
130.04984	1.9
130.08633	0.3
132.10194	2.0
136.07579	1.0
137.06110	0.3
137.07951	0.4
142.05029	0.3
143.15483	0.3
147.04436	0.3
148.07600	0.3
156.07680	0.4
168.10104	0.3
171.14935	34.9
173.13144	0.3
176.98923	0.3
177.11452	0.7
179.65086	0.3
185.16493	4.0
191.14345	0.7
199.14432	24.9
201.09796	0.3
209.15338	0.9
213.15981	2.9
217.15387	0.7
231.17062	4.9
246.11351	0.5
247.89117	0.3
274.10745	0.4
303.13019	0.4
318.10794	0.3
330.23801	0.5
334.12897	0.7
352.13986	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01883	21.0
55.05512	24.8
57.03435	6.3
57.07068	6.2
67.05509	68.9
69.03419	3.4
69.07072	22.0
70.99754	5.3
71.04984	8.8
79.05492	29.9
81.03407	8.0
81.07059	64.1
83.04968	14.2
83.08626	11.4
85.06554	12.7
89.06895	2.6
91.05488	44.2
93.07046	46.1
94.07367	4.6
95.04983	21.7
95.08611	41.3
96.05276	3.7
97.02859	4.2
97.06506	13.0
98.98472	100.0
99.04468	4.3
99.08092	3.9
105.07038	56.4
106.07362	7.4
107.04980	5.1
107.08603	50.1
109.06522	12.0
109.10164	76.1
111.08070	6.7
113.06021	5.5
117.07029	9.2
119.08587	21.1
120.08928	5.4
121.06522	6.2
121.10159	19.4
122.10444	3.4
123.08047	14.6
123.11712	16.2
125.09604	5.2
129.07031	4.4
131.08588	15.0
133.10144	95.0
135.08035	3.1
135.11752	12.7
137.09634	19.1
143.08626	3.4
145.10139	13.1
146.10481	4.1
147.11624	6.4
149.09637	8.2
149.13239	3.7
151.11191	67.4
157.10123	5.2
159.11710	9.3
160.12067	4.0
161.09659	3.7
161.13332	4.4
163.11166	10.1
163.14845	4.4
165.09122	5.2
165.12802	3.7
169.10147	4.1
169.12247	27.3
173.13217	4.8
174.99249	9.2
177.12616	3.9
179.10669	4.8
187.14903	3.2
198.13626	2.6
215.12822	9.5
229.19466	4.9
247.20526	9.6
257.19092	15.1
265.21890	2.8
275.20074	58.6
293.21097	47.5
310.31015	4.4
328.23566	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	329.1498
Annotation	H-Tyr-Phe-OH
Peak:m/z	Relative Intensity
55.05500	0.3
56.05030	0.3
56.36269	0.2
65.03963	0.3
65.34599	0.2
67.05502	0.3
70.06591	2.0
70.90569	0.5
71.06928	0.4
72.08163	1.2
75.58971	0.2
76.55656	0.2
84.04494	0.9
84.08150	2.5
86.09719	1.9
88.93320	0.2
91.05485	22.3
97.04011	0.4
98.98470	11.0
103.05473	0.7
107.04945	1.8
109.06527	0.7
110.07214	0.2
115.08721	0.4
118.06541	1.0
119.04949	16.3
120.08114	9.1
121.06521	1.8
129.05544	0.2
129.06586	0.3
129.10210	1.5
131.04915	0.3
132.08099	0.5
136.07584	100.0
137.05968	0.2
137.07942	0.5
137.09618	0.5
143.04495	0.5
146.06017	1.3
147.04425	0.4
150.09119	0.2
165.09088	0.4
166.07382	0.4
166.08650	4.7
166.09967	0.3
168.10234	0.9
174.97905	0.2
174.99226	1.4
176.98868	0.5
195.52556	0.2
200.12959	0.2
206.08122	1.6
224.10362	0.3
230.07803	0.4
230.15817	0.3
270.11002	0.4
283.14398	1.1
284.12851	0.5
312.12222	1.3
314.73798	0.2
329.06500	0.4
329.15103	6.7
329.19067	0.4
329.22443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
54.36534	0.7
55.01870	2.1
55.05515	8.7
57.03429	2.0
67.05505	20.5
69.03428	1.1
69.07077	7.0
70.12270	1.7
70.12670	1.3
71.04988	1.8
71.42065	0.8
74.41566	0.7
79.05497	16.9
81.03402	2.7
81.07064	16.4
83.04990	1.7
83.08629	4.6
85.06559	1.1
91.05488	11.5
93.07053	15.3
95.04979	4.9
95.08614	11.5
97.06534	2.8
97.10185	6.1
98.20807	0.9
98.98472	100.0
105.07044	10.8
107.04955	0.9
107.08605	12.8
109.06494	1.7
109.10167	10.5
111.08096	1.8
116.99501	1.0
117.07021	2.4
119.08587	7.8
121.10166	8.2
123.11710	1.4
125.09662	4.5
129.07011	1.7
131.08589	4.3
133.10114	6.8
135.08086	1.5
135.11696	2.0
137.09633	6.6
139.11229	1.0
140.01115	1.0
145.10078	3.8
147.11716	3.5
148.74759	0.7
149.09625	1.4
149.13274	0.9
155.10686	2.4
157.10164	2.1
159.11731	2.4
171.11636	0.9
172.13425	1.1
173.11804	5.3
173.13129	1.3
174.99251	9.5
175.99612	1.7
176.98936	2.9
181.12323	0.9
187.14867	0.8
189.11238	3.5
193.12270	1.2
195.14020	0.8
211.13261	1.7
223.13341	1.0
226.11435	0.7
235.16904	1.0
239.17978	1.3
252.00374	1.5
257.19046	1.2
274.01257	0.8
275.20081	11.1
293.21182	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	1.9
55.01863	3.8
55.05515	50.9
59.04989	3.4
67.05510	13.3
69.03424	6.9
69.07067	10.9
70.06570	2.3
70.77184	3.1
70.77534	3.5
73.36249	1.6
79.05500	22.7
81.07062	15.2
82.93130	2.1
83.04964	5.2
83.08620	29.1
83.09066	2.7
91.05476	10.0
93.07027	11.1
95.08612	6.0
97.06573	2.4
97.10178	74.8
98.98473	37.3
105.07043	10.7
107.08604	82.1
119.08589	7.5
121.10160	2.3
124.11243	2.4
125.09634	69.5
131.08557	4.5
133.10123	9.6
135.08080	7.1
143.10722	4.7
143.55826	1.8
145.10138	6.8
147.11696	6.6
149.09625	3.0
153.09183	2.5
159.11719	3.2
160.32541	1.8
171.10175	19.7
171.11514	3.3
174.99321	3.7
181.12239	3.2
189.11229	100.0
191.29720	1.8
223.13339	1.9
239.17935	3.1
257.19092	9.3
275.20059	79.8
293.21240	9.4
328.26382	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01867	1.7
55.05513	10.4
56.62846	0.6
57.03425	1.8
57.07075	1.2
59.05003	1.3
65.03926	1.0
67.05508	20.2
69.03416	2.1
69.07069	6.8
70.06598	5.5
70.63728	1.1
70.64061	1.5
71.04991	1.4
72.06585	0.7
79.05495	20.4
81.03418	1.5
81.07056	14.3
83.04998	2.1
83.08623	8.0
85.06525	0.8
91.05486	11.4
93.07048	18.7
95.04965	4.4
95.08614	11.6
96.08143	0.8
97.06526	1.7
97.10172	7.1
98.98469	100.0
99.08114	0.9
100.98848	1.0
103.05499	0.8
105.07032	10.8
106.23856	0.7
107.08594	12.3
109.06536	1.4
109.10165	9.7
111.08084	1.6
116.99516	1.5
117.07016	2.1
119.08595	7.6
121.06524	2.6
121.10147	11.5
123.11755	1.0
125.09636	6.8
131.08582	3.7
133.10104	4.5
135.08086	1.8
135.11696	1.8
137.09651	3.4
140.01129	1.4
145.10141	3.2
147.11690	3.0
149.09657	1.4
149.13269	0.9
153.09084	0.9
155.10692	2.0
159.11745	2.0
161.13268	2.4
163.11079	0.9
171.10208	0.8
171.11691	1.0
173.11766	6.7
173.13161	1.4
174.99231	9.0
175.99586	2.2
176.98959	2.6
183.11687	0.8
189.11247	8.2
211.13235	1.0
229.19356	1.0
242.14735	0.8
250.51550	0.8
251.00093	0.9
252.99835	1.1
275.20013	8.6
293.21146	2.1
328.15060	1.6
328.19037	0.8
328.26297	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	328.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14183	0.5
52.05958	0.5
53.03937	0.5
55.01864	0.7
55.05511	1.2
55.28609	0.5
56.05027	2.0
56.96568	1.3
57.03442	5.5
58.06604	0.5
60.04533	2.5
60.05646	1.4
61.02922	2.0
63.28232	0.4
67.05502	1.0
68.05018	0.6
69.03435	4.9
69.05817	0.9
69.07064	0.8
69.65711	3.1
70.06596	7.3
71.04604	1.0
71.04995	16.0
72.08157	4.1
73.02911	0.5
74.06073	0.5
81.03417	1.7
82.06585	0.9
84.04499	2.7
84.08147	22.8
85.02911	11.9
85.03434	0.5
85.08487	0.6
86.09708	3.7
87.04487	1.1
87.05607	0.6
89.06036	100.0
91.03953	0.8
91.05499	2.0
93.07050	0.6
95.04971	1.2
96.08146	0.6
97.02900	4.2
98.06065	2.3
98.09707	1.1
98.97524	1.5
98.98471	53.2
99.04452	12.8
102.05570	0.6
103.07589	0.8
107.04977	1.0
109.02888	0.9
109.07658	0.5
110.06052	1.3
110.07171	3.6
110.97591	1.0
112.08711	0.6
113.05998	1.2
113.07163	0.7
115.03946	0.9
116.99528	1.3
117.05492	2.3
119.04975	1.9
120.08083	0.9
121.06538	1.2
121.08595	0.8
126.05469	0.6
127.03938	2.3
129.10249	4.7
131.07042	13.3
135.06882	0.9
136.07594	5.5
138.06540	0.6
140.14296	0.5
145.04958	1.3
147.04430	2.5
149.08099	64.9
156.07767	0.7
158.53941	0.6
158.99591	0.7
163.03949	0.7
164.07089	0.7
166.08656	1.0
174.99257	5.3
175.99532	1.2
176.98984	1.0
207.11385	1.4
219.01764	1.1
231.56454	0.7
237.02898	1.1
245.11176	0.5
251.00272	0.9
252.00140	0.6
266.16275	0.5
273.14651	0.8
291.48264	0.6
298.06015	0.7
310.09290	1.3
311.07483	0.6
312.93060	0.5
319.68076	1.5
323.93750	1.9
324.18649	1.2
328.13324	1.0
328.19556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.3
55.01883	4.3
55.05515	14.7
57.03445	6.1
57.07070	6.9
65.03945	3.8
67.05515	32.2
67.36006	2.6
69.03411	3.5
69.07083	16.6
69.19541	21.1
69.19956	8.7
70.25148	2.4
71.04978	5.1
79.05499	26.7
80.99474	2.8
81.03409	5.8
81.07063	34.3
83.04958	3.7
83.08623	3.5
85.06530	5.7
91.05486	41.0
93.06483	5.7
93.07050	86.4
95.04978	74.5
95.08614	60.3
97.06535	19.4
98.98478	100.0
103.05453	4.8
105.07038	63.1
107.08607	42.5
109.06503	10.4
109.10146	23.3
115.05450	3.5
117.07018	19.6
118.16293	2.6
119.07813	4.8
119.08591	71.4
121.06516	19.9
121.10167	39.9
123.08067	15.4
123.11672	7.9
128.06229	8.5
129.06993	10.6
130.07776	7.1
131.08585	34.2
133.06523	3.1
133.10136	46.1
135.08043	10.7
135.11684	18.1
137.09555	4.4
139.11174	3.3
141.07022	5.5
142.07803	11.4
143.08562	19.3
144.09317	9.2
145.10120	51.7
146.07245	3.3
147.08005	6.6
147.11650	16.4
149.09654	6.9
149.13217	3.7
151.11096	3.5
152.06129	3.3
155.08652	7.2
156.09412	6.2
157.10117	35.7
158.10866	3.2
159.11688	43.3
161.09619	16.4
161.13187	5.0
163.11188	4.4
167.08575	3.8
168.09349	4.3
169.10150	16.5
171.11707	16.1
173.09602	4.2
173.13321	21.3
174.99229	16.0
175.11205	7.5
175.14842	21.0
179.08508	3.4
181.10141	5.3
182.10916	5.3
183.11703	12.9
184.54689	2.8
185.13237	10.0
187.11206	7.6
187.14845	21.0
189.12743	4.6
189.16347	5.1
193.10135	6.1
195.11635	5.4
196.12488	3.1
197.13246	9.9
199.14856	11.7
201.16391	4.0
206.10995	3.6
207.11728	5.5
209.13213	10.4
211.14870	9.9
213.16341	4.6
217.15785	6.8
221.13228	5.0
222.71957	2.7
225.16429	6.4
229.15926	4.2
233.03685	3.7
235.14854	6.6
239.17993	4.2
253.16006	5.7
265.19550	3.3
291.21136	5.2
309.22180	9.3
327.07779	14.9
327.23175	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	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.5
53.83781	1.9
54.49299	1.8
55.01858	4.5
55.05513	12.2
57.03423	3.7
57.07067	7.5
59.05000	3.6
65.03937	3.5
66.08937	2.7
67.05513	30.9
69.03439	2.2
69.07083	15.6
70.02018	9.2
74.34563	2.0
77.03904	2.7
79.05505	20.0
81.03434	4.3
81.07068	30.6
83.04983	2.9
83.08620	4.4
85.06551	3.0
91.05485	36.9
93.07053	75.2
95.04983	77.9
95.08617	51.7
97.06539	19.7
98.98478	100.0
105.07044	59.0
107.08610	33.0
109.06524	7.7
109.10168	29.0
115.05425	3.1
116.06229	2.1
117.07040	14.4
119.08595	64.9
121.06556	16.4
121.10162	30.7
123.08064	9.6
123.11730	10.3
128.06253	6.6
129.07004	7.5
130.07759	4.0
131.08582	27.0
133.06497	3.5
133.10150	50.5
133.48311	2.2
135.08078	10.4
135.11694	11.2
135.12602	1.9
137.09570	3.9
139.11230	2.9
141.06940	3.0
142.07745	11.3
143.08594	19.2
144.09344	6.9
145.10146	37.3
147.08043	4.2
147.11687	15.7
149.09619	6.8
149.13284	4.4
155.08589	6.1
156.09366	7.0
157.10147	31.8
158.10933	4.7
159.08049	4.4
159.11703	41.0
161.09642	14.9
161.13283	6.5
168.09326	2.5
169.10117	14.3
170.10927	2.7
171.11710	16.4
173.13251	14.1
174.99292	12.6
175.11226	4.2
175.14854	19.4
175.25400	2.2
179.08537	4.8
181.10120	3.9
182.10922	2.9
183.11719	8.8
184.12471	3.2
185.13297	9.5
187.11232	11.4
187.14825	17.0
189.16411	3.1
193.10147	4.5
194.10675	2.9
195.11758	3.0
197.13289	8.1
199.14806	8.1
201.16376	6.1
208.12471	2.7
209.13321	9.0
211.14804	8.2
213.16451	3.0
215.14325	4.7
217.15935	6.8
221.13365	2.5
223.14911	4.5
225.16394	5.7
227.14294	3.7
235.14911	4.1
241.15741	3.5
249.16577	3.2
251.00035	4.5
253.15912	4.1
265.19388	3.3
291.21078	5.7
309.22165	7.4
327.07715	2.9
327.23178	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.01873	0.7
55.05507	3.4
57.03433	1.3
57.07070	1.6
58.22283	0.6
66.31777	0.7
67.05518	6.3
69.03434	1.1
69.07079	3.8
70.02069	1.9
79.05496	5.7
81.03416	1.2
81.07064	10.6
83.04986	1.6
83.08642	1.0
91.05479	7.7
93.07051	16.3
95.04983	10.7
95.08614	8.5
97.06534	6.2
98.21455	0.8
98.98477	100.0
105.07047	13.5
107.08620	7.4
109.06509	3.0
109.10177	5.6
115.05515	0.9
116.99535	1.1
117.07017	3.1
119.08598	10.2
121.06509	3.1
121.10162	12.1
123.08078	2.2
123.11755	1.2
128.06262	1.7
129.07018	3.0
130.07759	1.7
131.08589	6.7
133.10143	7.4
135.08125	1.5
135.11703	1.9
137.09702	0.7
140.01097	1.5
141.06956	1.0
142.07777	2.5
143.08601	4.7
144.09346	0.8
145.10136	8.2
147.08012	0.9
147.11707	2.3
149.13261	0.7
151.11220	0.7
153.07031	1.1
155.08571	1.0
156.09384	1.4
157.10132	5.8
159.08040	0.7
159.11700	8.5
161.09641	3.2
161.13326	0.9
169.10165	2.1
170.10956	1.2
171.11768	3.4
173.13383	2.2
174.99231	14.7
175.14862	2.4
182.10963	1.1
183.11780	1.9
185.13326	1.1
187.11195	2.0
187.14864	3.0
189.12749	2.0
189.16437	0.9
193.10226	1.0
195.11827	0.7
195.13829	0.9
197.13312	2.4
199.14919	1.7
209.13171	1.5
211.14896	1.3
221.13200	0.8
227.02762	0.8
232.04468	0.7
233.03638	0.8
239.18001	0.8
251.00099	2.7
253.15837	0.7
309.22049	1.7
327.08005	2.6
327.14435	0.7
327.23102	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2168
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.03933	1.4
55.01883	2.0
55.05516	14.1
57.03425	1.4
57.07087	0.6
59.05006	0.9
65.03934	0.6
67.05509	11.5
69.03439	4.5
69.07074	4.7
69.95679	1.7
71.05003	1.2
77.01623	0.6
79.05502	8.6
81.03431	2.9
81.07062	13.2
83.04983	3.6
83.08624	9.4
84.08150	0.6
84.40750	0.4
85.02881	0.4
85.06548	1.7
86.09688	0.5
87.04466	0.6
91.05486	5.5
93.07049	12.5
95.04975	8.5
95.08610	13.7
97.06513	2.4
97.10181	13.7
98.09707	0.9
98.98472	100.0
99.08092	0.9
103.05488	0.5
105.07035	5.7
107.04956	1.3
107.08608	7.5
109.06531	1.9
109.10160	4.1
111.04428	0.8
111.08112	2.2
115.05460	0.5
116.99508	1.9
117.07034	1.6
119.08577	5.6
121.06508	2.2
121.10153	5.1
123.04478	0.5
123.08078	26.8
123.11723	3.9
125.05976	0.5
125.09641	11.2
129.07054	1.0
129.09106	0.6
131.08565	2.1
133.06506	0.8
133.10155	3.5
135.08025	2.1
135.11699	2.2
137.09627	3.2
137.13318	0.4
139.07549	0.7
139.11205	1.2
140.01062	0.5
143.08600	1.2
143.10631	0.7
145.10120	4.0
147.08070	1.5
147.11710	1.2
149.06013	0.6
149.09598	0.7
149.13206	0.6
151.11224	1.6
153.09126	1.0
155.08600	0.5
157.10153	1.3
159.11752	1.4
161.09712	1.1
161.28851	0.4
163.11234	1.7
165.09131	5.2
165.12796	0.5
168.13905	0.5
169.10100	0.7
169.12292	3.2
171.10152	1.5
171.11554	0.9
173.09537	0.5
173.13275	0.6
174.99236	14.8
175.11198	0.8
177.05458	1.3
177.12762	1.2
181.12251	0.5
183.10298	0.5
185.13310	0.6
187.13287	6.1
187.14827	0.8
189.11224	10.7
191.10709	0.5
193.12250	1.1
195.13879	1.9
197.13300	0.5
200.14409	1.2
201.14674	1.3
205.12315	0.4
205.15825	0.5
211.13309	1.8
217.15765	0.5
223.13237	2.0
231.17369	0.4
241.14211	2.1
245.19078	0.9
250.99992	2.7
255.17563	1.9
263.20224	1.2
273.18503	13.3
291.19562	17.1
291.26752	0.5
309.13358	1.0
309.20569	7.0
327.14230	1.7
327.17407	1.3
327.21671	1.1
327.25302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1437
Annotation	(+)-Macrosphelide C
Peak:m/z	Relative Intensity
53.03941	4.0
55.01867	5.2
55.05513	9.7
57.03437	2.0
57.07074	3.3
57.51438	1.5
59.04988	6.2
67.05510	21.2
68.99788	3.7
69.03085	2.5
69.03435	36.1
69.07076	20.9
71.04987	1.7
76.74714	1.6
77.03937	1.7
79.05499	11.7
81.07063	33.6
83.04556	2.4
83.04989	26.4
83.08646	9.6
85.06547	7.8
87.00844	12.0
87.04458	4.6
91.05487	13.9
93.03425	1.6
93.07051	80.0
95.04980	8.4
95.08616	46.4
95.09192	1.1
96.83105	1.4
97.06550	9.9
99.08096	2.7
101.06023	7.5
105.07022	6.9
107.04968	5.6
107.08607	19.4
109.06535	12.6
109.10176	10.6
111.04481	2.0
111.08094	31.1
115.03917	3.1
115.07550	2.7
117.07014	4.2
119.08567	6.6
121.02893	1.6
121.06507	25.1
121.10149	19.9
123.08075	4.9
123.11710	2.0
125.06012	3.6
127.07575	3.6
129.05493	14.0
129.09158	10.7
131.08549	4.8
133.10141	9.1
135.08124	3.6
135.11713	21.0
137.09592	3.5
139.03899	3.1
139.07545	39.3
143.07060	7.4
144.09349	2.0
145.10126	2.2
149.05980	13.5
149.09650	3.0
149.13271	10.5
151.11200	26.0
157.08615	8.6
159.11716	12.3
163.11180	4.0
167.05702	1.6
167.07057	6.7
171.06474	3.7
177.12759	28.6
185.08124	3.1
187.11255	2.5
195.13824	65.9
199.77345	1.6
205.12233	10.9
223.13300	26.4
241.14355	100.0
291.12357	2.3
306.77164	1.7
309.13324	57.1
327.14395	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2478
Annotation	Holadienine
Peak:m/z	Relative Intensity
55.05515	2.0
56.05038	0.6
57.03435	3.1
60.79074	0.4
67.05484	1.6
68.04998	0.5
68.05853	0.5
69.07049	1.6
70.02953	0.5
70.06255	0.6
70.06593	6.6
71.04992	0.7
71.32471	1.0
79.05495	2.9
81.03374	0.4
81.07059	3.2
82.07373	0.8
83.04951	0.6
83.08618	0.7
84.08121	1.2
85.06523	0.5
86.09689	0.9
86.35501	0.4
91.05473	3.0
92.05752	0.5
93.07057	2.9
94.07378	0.7
95.04948	1.4
95.08590	1.4
96.08113	1.1
97.06515	1.1
98.98470	42.3
101.57996	0.4
105.07008	3.3
107.08616	1.2
108.08096	0.5
109.06538	2.2
109.10135	0.9
115.05431	0.5
116.99479	0.5
117.07034	1.5
118.06535	0.7
119.08582	2.6
120.08089	1.9
121.06487	2.8
121.10146	0.8
122.06847	2.1
122.09636	0.7
123.11658	0.5
128.06239	0.7
129.07034	2.3
131.08614	2.3
132.08928	0.5
133.08929	0.8
133.10133	1.8
134.09627	1.0
135.08064	0.7
135.10512	0.4
135.11646	0.5
136.11203	0.9
137.12064	0.5
137.13171	0.5
141.06982	0.7
142.07779	1.2
143.08554	2.2
145.10118	1.8
147.08055	2.1
147.10439	0.5
147.11646	0.9
148.08455	0.7
148.11182	1.4
155.08533	0.8
157.10135	1.8
158.09618	1.8
159.08049	0.8
159.10493	0.6
159.11682	1.0
160.11206	1.6
161.09598	0.9
161.11977	0.6
162.09891	0.5
169.10069	0.6
170.09619	1.2
171.11720	1.6
172.11226	1.2
173.09642	1.0
174.12814	1.8
174.99226	7.2
184.11180	1.1
185.11917	0.8
185.85129	0.5
186.12715	1.1
187.13564	2.6
188.14333	1.5
189.12714	1.0
190.12271	2.3
198.12738	0.9
199.71861	0.6
200.14348	59.9
212.14398	1.0
214.12245	1.0
214.15923	3.1
216.13847	1.5
224.14346	1.0
226.15927	5.9
228.13864	0.9
228.17439	1.9
229.18213	3.9
238.15942	0.9
240.15108	0.8
240.17450	4.0
242.15372	1.5
244.16997	10.6
248.17307	0.6
251.00009	1.0
254.15337	0.7
254.19057	2.5
256.16916	0.9
257.17715	10.0
258.15790	0.9
268.16925	0.9
268.20599	4.2
269.21436	1.3
270.18579	0.9
270.22116	0.7
276.16739	0.7
296.20132	0.9
298.25137	2.0
308.23764	1.1
324.23163	0.7
326.24780	100.0
327.25195	1.3
327.60013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.0
55.01874	10.1
55.05511	10.6
57.03421	1.8
57.07074	1.2
63.06058	0.9
65.03929	1.2
67.05510	33.1
69.03433	4.0
69.07069	12.8
69.81241	4.4
71.04984	6.4
72.51763	1.1
74.99867	0.9
79.05499	15.2
81.03419	2.3
81.07057	37.3
83.04997	8.4
83.08622	2.8
84.08149	1.2
84.69669	1.0
85.06544	5.0
90.68562	1.0
91.05484	27.0
92.05808	2.0
93.07053	17.8
94.07381	1.3
95.04974	10.2
95.08614	10.1
96.05320	2.7
96.08922	1.2
97.06539	3.7
97.10258	1.0
98.21519	1.2
98.98471	100.0
99.04458	3.1
99.08098	1.1
103.05493	1.2
105.07037	31.6
106.07389	1.0
107.04964	2.1
107.08601	34.3
109.06522	6.2
109.10160	57.2
110.10490	1.6
111.04454	1.1
111.08082	2.6
113.06009	3.3
116.99497	1.5
117.07030	3.7
119.08577	8.1
120.08911	3.1
120.77924	1.0
121.06512	3.0
121.10143	3.5
123.08083	2.8
123.11708	8.6
125.09650	1.8
127.03895	1.3
127.07584	2.5
128.06267	1.4
129.06982	2.3
130.07364	1.1
131.08540	6.3
133.06508	2.4
133.10136	64.9
134.10449	1.4
135.08080	3.1
135.11688	2.5
137.05991	2.9
137.09624	1.5
140.01082	1.2
143.08568	4.0
144.08939	1.5
145.06430	1.3
145.10117	5.7
146.10495	1.9
147.08096	2.4
149.09641	3.5
151.11189	44.3
155.08630	1.1
157.10106	3.1
158.10504	2.2
159.11668	2.9
160.12036	1.8
161.09610	2.6
162.09975	1.0
163.07503	1.1
163.11064	1.2
169.10120	1.2
169.12248	16.4
170.10497	2.5
171.11545	2.4
172.12167	1.0
173.09656	2.1
173.13307	1.1
174.99234	16.2
179.10670	2.6
181.12320	1.3
182.10510	1.4
184.12015	1.3
187.11282	1.2
194.10442	1.7
195.11584	1.5
196.12120	2.0
197.11765	1.2
198.13684	1.2
199.14790	1.1
208.12091	1.8
212.15250	1.1
215.12837	6.2
224.15218	2.0
236.21651	1.2
238.16788	1.2
245.19078	3.0
250.16608	1.3
251.00052	3.1
255.17430	1.0
263.20157	2.4
268.17685	1.3
270.15787	1.8
273.18491	6.2
291.19550	15.6
308.21033	3.4
309.20679	1.7
326.21912	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	326.2119
Annotation	Daphniyunnine C
Peak:m/z	Relative Intensity
50.16941	0.2
53.03931	0.2
55.01860	0.2
55.05494	0.8
56.05021	0.3
57.03426	0.4
60.05641	0.3
66.39522	0.2
67.05508	1.0
68.05842	0.2
69.03443	1.1
69.03754	0.2
69.07081	1.3
69.07398	0.3
70.06586	1.5
70.07391	0.3
71.04977	0.8
71.51828	0.2
72.07814	0.2
72.08159	2.3
79.05491	0.9
81.03402	0.2
81.07059	2.5
82.03801	0.2
82.07387	0.5
83.04964	0.4
83.08597	0.5
84.04501	0.3
84.08160	1.4
85.02866	0.3
85.06523	0.3
86.09680	0.6
88.07621	0.2
91.05474	1.2
93.07050	1.6
94.06555	0.3
94.07369	0.3
95.04959	0.5
95.08611	1.4
95.31541	0.2
96.04536	0.2
96.08121	0.2
96.08917	0.3
97.02887	0.2
97.06512	0.5
98.06043	0.2
98.09682	1.0
98.98473	15.2
99.08029	0.2
103.05463	0.2
105.07037	1.1
106.07342	0.3
107.04946	0.5
107.08621	1.1
108.08089	0.3
108.08938	0.3
109.06521	0.6
109.10159	0.8
110.07133	0.4
110.10474	0.3
111.08041	0.3
113.07138	0.2
116.10786	0.3
116.99480	0.3
117.07023	0.2
119.04906	0.3
119.08575	0.7
120.08095	0.6
121.06506	1.3
121.10121	0.7
122.06016	0.4
123.04521	0.3
123.08103	0.5
123.11678	0.4
124.12054	0.3
129.06958	0.2
129.10184	0.2
131.08571	0.3
133.06499	0.2
133.10123	0.3
134.10527	0.2
135.11729	0.3
136.07571	0.4
137.05981	0.8
137.07907	0.2
138.06308	0.6
140.14360	0.3
145.06456	0.3
145.10168	0.2
146.05989	0.2
147.08015	0.6
147.11685	0.3
149.09633	0.3
150.09196	0.2
159.11670	0.2
160.03961	0.2
160.07579	0.2
161.05992	0.2
163.11217	0.3
165.09145	1.5
174.99236	2.3
175.07555	0.3
179.14336	0.2
184.11131	0.9
185.11961	0.6
187.10919	0.2
187.13600	0.2
198.12868	0.2
200.14354	100.0
201.14716	1.1
210.09148	0.2
228.17462	2.1
229.18263	6.0
238.12262	0.2
239.13135	0.3
241.14333	0.3
248.10071	0.4
251.00154	0.5
251.07288	0.2
254.15424	0.8
256.43765	0.2
272.79874	0.2
290.17749	0.5
290.25699	0.3
291.15869	1.4
299.50568	0.2
308.18771	0.7
308.26511	0.4
309.13708	0.3
309.17111	0.5
314.42517	0.3
325.68039	0.3
326.21164	52.5
327.14554	0.3
327.21552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01863	3.1
55.05499	2.9
56.34811	0.9
57.03437	1.1
57.07083	1.5
63.39908	0.9
64.19818	1.0
67.01876	1.3
67.05507	20.1
68.81574	0.9
69.03415	3.5
69.07070	6.7
69.72826	0.9
70.06578	2.9
70.65612	2.0
70.65948	1.2
71.04986	1.3
79.05493	11.5
81.03416	3.3
81.07066	8.8
81.88870	0.8
83.04972	1.5
83.08624	1.5
84.04474	1.1
86.09653	1.2
91.05483	9.1
93.07040	8.1
95.04969	17.9
95.08611	5.1
96.04489	2.1
97.06549	5.4
98.09704	2.0
98.98473	44.7
100.11259	15.8
103.05457	1.0
105.07043	6.4
107.04943	4.0
107.08604	16.0
109.06519	12.8
109.10162	15.3
110.06024	3.1
110.07106	1.2
110.09705	1.0
111.03208	1.1
111.08113	1.7
112.03960	2.4
115.05422	1.1
117.07027	9.4
119.08611	5.6
120.08105	6.0
121.02840	1.3
121.06516	12.1
121.10132	1.6
122.09631	1.1
123.08070	3.0
124.03973	4.4
124.07569	1.3
133.10156	1.3
134.09642	3.0
135.08060	30.4
136.05203	3.5
136.08826	1.4
137.09624	37.6
138.05499	5.7
138.09109	5.1
139.07526	1.1
143.08545	1.6
145.06493	3.5
147.11809	1.0
148.07590	2.8
151.07501	2.7
152.10706	6.3
161.09586	1.3
162.09190	4.9
163.07553	41.4
164.07091	0.9
164.08350	2.2
165.09119	2.5
166.08650	42.0
174.99214	5.2
180.10217	12.5
181.08627	3.8
190.08644	5.0
191.07016	14.2
193.08618	1.0
200.14326	7.6
208.09677	12.4
226.15887	1.2
235.17072	1.7
244.16989	1.7
251.00044	1.6
252.19589	2.1
257.17700	1.6
263.16385	12.7
276.19632	1.2
280.19083	100.0
308.18567	86.2
326.19928	3.6
326.24771	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	326.16
Annotation	Monocrotaline
Peak:m/z	Relative Intensity
53.03931	0.5
54.90076	0.4
55.01878	2.2
55.05266	0.6
55.05514	4.4
56.05027	1.0
57.03418	1.3
60.04529	0.5
65.03947	0.5
66.03465	0.7
67.05507	2.6
68.05015	0.6
69.03425	2.2
69.07059	1.7
69.73404	0.6
70.06597	8.5
70.44311	1.3
71.04998	2.2
72.08170	2.3
73.06453	0.4
79.05499	5.4
81.03416	1.3
81.07053	4.5
82.06566	0.8
83.04970	0.7
83.08614	2.0
84.04507	3.0
84.08147	13.2
85.02910	3.1
85.06533	0.5
85.08458	1.8
86.09709	6.0
91.05486	9.3
92.05811	1.2
93.07048	4.7
94.02927	1.0
94.06573	0.9
95.04958	1.9
95.08585	1.2
96.04494	0.7
96.08173	0.7
97.02881	1.0
97.06514	1.7
98.06022	0.9
98.09679	2.2
98.98478	8.1
102.05511	0.5
103.05461	1.3
105.07043	4.7
106.06547	1.3
107.04951	3.6
107.08614	2.7
109.06490	1.2
109.10137	0.9
110.06010	0.8
110.07200	3.2
110.07844	0.7
111.08082	12.1
112.03970	1.2
112.08747	1.0
113.02357	0.6
115.03944	0.5
115.05447	1.7
115.08681	0.4
117.07017	2.9
118.06538	0.7
118.08822	0.4
119.04938	6.2
119.08572	1.6
120.04519	0.5
120.05249	2.4
120.08084	3.9
121.06510	1.8
121.10200	0.5
122.06017	2.2
123.04423	0.7
123.08054	1.5
123.11685	0.7
127.03939	0.8
127.12304	1.3
128.06206	1.2
128.12625	0.6
129.07018	4.6
129.09264	0.6
129.10228	3.2
130.04958	0.7
130.06480	1.0
131.03400	0.8
131.04926	0.9
131.08577	3.4
132.04433	2.7
132.08063	0.5
133.06488	1.9
133.10147	3.4
134.06017	3.3
135.04417	1.4
135.08066	0.9
136.06163	0.5
136.07562	3.0
137.05957	1.5
140.14346	1.2
141.07011	1.2
142.07768	1.2
143.04935	0.6
143.08536	2.6
144.08096	1.3
145.06456	2.1
145.10109	2.8
146.06035	2.9
146.07071	0.6
146.09598	0.5
147.04420	14.4
147.08032	1.3
147.11633	0.7
148.04759	15.2
148.07561	0.7
149.05891	0.6
149.09645	1.3
151.03847	0.6
151.09987	1.1
151.11121	1.0
152.07094	0.9
153.05418	0.5
155.08530	1.5
156.08070	0.9
156.09306	0.8
157.06464	1.9
157.10104	1.5
158.05963	0.8
158.09698	0.6
159.04451	1.0
159.08073	1.2
159.11679	0.9
160.07530	0.7
161.05983	1.1
161.09666	2.3
162.05548	2.9
163.07542	0.7
164.06979	0.9
165.05505	0.7
165.07011	0.5
166.05893	0.7
166.07787	0.6
169.10135	0.7
170.05971	0.7
171.08090	0.9
171.11667	2.1
172.07555	0.7
172.11263	1.1
173.06010	1.0
173.09639	2.7
174.05479	0.8
174.09103	0.8
174.99236	1.4
175.11186	1.1
176.07123	1.1
177.05479	0.7
179.10602	0.5
180.06575	1.1
181.10083	1.2
182.09567	0.6
183.11664	0.5
184.07588	0.7
185.05919	0.6
185.09639	1.1
186.12842	0.6
187.11147	1.5
189.09106	0.8
189.12650	0.8
190.12215	0.8
191.10614	0.5
192.06584	1.1
194.11830	0.7
198.12706	0.7
199.11234	3.1
200.10739	2.6
201.09077	1.9
203.10695	0.6
209.09720	0.5
211.11102	0.5
212.12811	1.4
214.12314	1.1
215.10678	0.9
216.13849	1.6
217.12300	1.2
218.11761	2.7
219.10136	1.1
220.09923	0.5
226.12236	2.3
227.10780	2.5
229.12180	0.9
234.11104	0.6
242.11726	1.4
244.13297	2.9
245.11717	1.6
246.11241	1.8
255.10063	0.6
260.12756	1.1
261.11234	0.7
262.14282	1.0
263.12723	0.9
264.12375	0.6
272.12808	1.4
273.10947	0.5
276.16196	0.5
278.13895	1.0
279.12253	1.4
290.13812	1.7
291.12219	1.0
308.14920	100.0
309.15292	1.0
325.42990	0.6
325.93042	0.5
326.12396	2.4
326.15945	27.9
326.19418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.057
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35133	0.5
70.31387	1.0
96.11414	0.5
98.97591	8.4
98.98447	2.2
101.00886	2.8
116.98634	3.5
119.01928	3.1
134.99649	0.9
140.98846	0.6
158.99904	2.3
172.94290	0.6
177.00964	8.7
178.01050	0.7
182.99751	1.0
187.95148	0.6
199.98009	1.2
201.00885	3.4
216.98677	0.5
217.04099	1.7
217.46248	0.5
217.99094	2.4
219.02010	16.2
220.02147	2.9
223.98030	0.8
225.00882	2.7
233.82780	0.6
236.00217	3.1
236.40726	0.5
240.99017	0.6
241.99033	6.4
242.99374	1.1
243.01997	13.3
244.02007	0.7
259.00012	0.9
260.00146	10.7
261.03073	100.0
261.97272	0.8
262.00388	1.1
262.03186	6.8
263.03488	0.7
265.98935	0.8
266.03635	0.7
277.01212	0.8
278.01187	4.5
279.00635	0.8
279.98325	3.1
282.99805	2.5
284.00119	33.1
284.04764	2.9
284.99741	2.4
295.66287	0.7
297.99539	0.6
301.01001	1.7
302.01178	30.8
302.97385	0.6
303.00772	2.3
303.04453	2.3
326.01093	4.0
344.02258	13.5
345.02060	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2742
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
51.11906	1.9
53.03928	2.5
55.01868	5.0
55.05305	2.1
55.05511	20.3
56.05032	7.1
56.07655	2.2
57.03441	4.0
57.07079	10.3
59.04996	2.4
60.04532	18.1
60.05653	19.4
65.03930	3.9
67.05505	37.8
68.05010	6.2
69.03410	6.3
69.05807	3.9
69.07069	73.9
69.26707	15.6
69.27115	3.5
70.06596	59.1
71.04978	9.3
71.06933	2.3
71.08635	5.5
73.02887	2.4
77.95113	2.0
79.05503	20.2
81.03417	4.9
81.07062	100.0
82.06584	3.8
83.05006	10.1
83.05428	2.0
83.08623	16.9
84.04485	4.1
84.08150	88.7
85.02894	7.0
85.06546	16.0
85.07681	3.6
85.08469	5.7
86.09689	6.5
91.05490	24.2
93.06496	3.3
93.07050	48.3
95.04979	16.3
95.08607	53.4
96.04462	4.2
97.02869	5.6
97.06537	10.3
97.10163	8.8
98.06032	3.0
98.07165	2.6
98.09680	6.0
99.08084	4.2
101.06023	2.7
103.05490	3.0
105.03411	2.9
105.07050	28.6
107.04928	3.1
107.08597	41.9
109.06493	8.3
109.10164	41.7
110.07161	8.0
111.08088	26.0
111.11721	13.1
112.08717	10.1
112.57895	3.3
113.07126	7.2
114.05479	2.2
114.68845	2.4
115.07608	2.3
115.08691	2.7
117.07008	3.1
119.04935	8.2
119.08578	19.0
120.04481	2.2
120.08085	4.9
121.06500	7.6
121.10163	22.2
123.04464	4.2
123.05505	2.3
123.08075	6.3
123.11710	31.7
124.07555	3.5
125.09624	5.3
129.10245	17.3
130.05003	3.6
131.08556	6.2
133.10132	15.4
134.06032	5.6
135.06764	5.2
135.07994	3.5
135.11688	19.1
136.07582	25.1
136.11143	2.5
137.05957	8.3
137.06953	2.9
137.07953	2.8
137.09662	2.5
137.13266	13.9
138.06558	2.9
139.11189	16.7
140.08209	2.8
145.06535	3.7
145.10115	8.0
147.04411	7.2
147.08075	2.4
147.11720	13.4
147.58765	3.6
148.07590	3.1
149.13237	9.6
151.11188	15.3
151.14789	2.5
153.12755	17.5
155.09245	2.7
156.10095	5.8
159.11705	6.3
161.09618	5.3
161.13248	7.6
163.11241	4.6
163.14838	6.8
165.05435	4.2
165.12801	10.1
169.12251	4.3
173.13303	2.5
174.13560	3.4
175.03929	6.2
175.11041	5.1
175.14815	4.7
176.07140	2.7
177.12668	2.3
177.16396	3.5
181.12239	12.1
183.13861	3.2
186.09103	3.2
187.14799	4.7
189.16391	6.0
190.05017	3.2
195.06320	2.4
195.49181	2.0
198.15317	2.2
198.39346	1.9
203.10588	2.9
203.17924	3.5
221.11678	3.6
233.15321	2.6
245.22624	6.5
261.19333	2.1
269.16904	2.5
271.24213	5.1
277.25269	2.4
279.90741	3.0
287.14734	9.5
287.48282	2.9
289.25345	19.6
295.66022	5.1
296.16614	2.3
297.91498	3.7
302.41901	3.4
307.13846	5.6
307.20364	10.9
307.26324	29.4
309.41934	8.1
309.66531	3.2
310.16348	3.5
310.41599	3.0
313.67371	20.2
313.92322	9.9
314.17462	5.4
316.17117	4.1
320.67249	16.4
320.92230	8.7
321.17349	2.4
324.92841	24.1
325.14786	3.3
325.17972	17.7
325.21341	7.1
325.24844	3.1
325.27576	3.4
325.43103	5.2
329.84552	5.9
330.17725	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	325.2741
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03941	2.4
55.01869	4.5
55.05514	26.7
56.05030	3.2
56.96572	1.9
57.03430	7.4
57.07079	16.2
59.04985	2.4
60.04537	11.2
60.05653	10.0
67.05507	36.8
68.05020	4.5
69.03423	7.1
69.05807	4.7
69.07069	54.5
69.48755	11.9
70.06594	26.7
71.04991	8.3
71.08633	5.6
73.06440	1.7
74.17040	1.7
79.05496	23.6
80.04997	1.8
81.03429	2.7
81.07058	100.0
82.06567	1.9
83.04980	7.9
83.08621	23.6
84.04504	6.7
84.07637	2.9
84.08146	58.4
85.02908	3.2
85.06547	11.6
85.07655	2.7
85.08467	2.4
86.09695	3.3
91.05485	22.3
93.07044	67.6
95.04963	17.5
95.08607	77.2
96.04500	1.7
97.02902	2.7
97.06542	9.7
97.10185	12.4
98.06074	2.4
98.09676	5.3
98.97608	2.0
99.04450	1.9
99.08088	5.2
101.06011	3.5
105.07030	19.7
107.04975	3.3
107.08591	37.2
109.06526	12.3
109.10156	46.1
110.07179	4.7
111.08086	36.4
111.11717	7.5
112.08725	6.4
112.57854	1.9
113.06019	1.8
113.07138	5.1
115.07583	2.4
117.07041	3.8
119.04919	4.0
119.08595	16.4
120.08135	2.8
121.06505	5.5
121.10143	34.4
122.07076	1.6
123.04446	3.1
123.08067	6.4
123.11708	35.8
125.09637	6.3
127.07638	2.1
127.09815	3.0
129.06975	1.7
129.10237	10.0
130.05019	10.9
131.08592	4.0
133.05177	1.7
133.06390	2.3
133.10156	18.2
134.06010	2.4
135.06802	4.7
135.08046	2.0
135.11702	18.4
136.07591	17.4
137.09616	5.7
137.13219	12.0
138.06599	2.5
139.11189	12.5
145.02870	3.5
145.10143	6.4
147.04453	2.2
147.07663	4.9
147.11714	8.4
148.07607	3.2
149.09636	4.7
149.13239	11.0
151.11174	14.2
151.14780	3.6
153.12743	8.2
155.10660	4.0
156.10120	4.4
157.12314	1.9
159.11673	4.7
161.09636	3.3
161.13287	6.0
163.09987	1.8
163.11137	7.9
163.14839	5.3
165.12801	5.3
165.16425	2.9
167.10655	2.3
167.14346	3.8
169.12251	4.6
173.13283	3.0
174.09186	2.9
175.11246	2.4
175.14911	3.2
177.05429	4.8
177.12917	1.8
177.16397	4.1
179.14336	2.1
179.18036	2.5
181.12210	8.8
187.14890	3.4
189.16397	4.0
191.17947	3.3
195.13911	2.1
207.10223	3.3
207.17357	2.7
209.19099	8.2
215.17966	3.3
217.19510	2.7
221.11725	2.9
235.20641	3.0
238.14444	4.5
238.85736	1.8
244.09700	9.6
246.14937	6.9
261.25717	2.0
271.24222	8.1
272.13104	1.9
277.25241	2.6
289.15436	1.5
289.25180	11.8
290.13986	5.7
295.66110	3.3
296.16144	2.0
302.66986	1.6
307.20502	2.3
307.26276	28.2
308.14911	2.3
309.16888	1.7
309.41870	2.6
309.66599	6.0
311.82965	1.8
313.67258	11.8
313.92410	7.9
314.17639	3.2
316.16742	1.9
316.41739	1.8
320.42642	2.9
320.67142	12.9
320.92395	4.7
321.17572	2.1
324.92780	15.1
325.12027	6.8
325.18124	15.4
325.21268	4.9
325.27359	50.5
325.42960	4.9
329.84650	2.0
335.85367	1.9
339.69092	1.8
343.14462	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
55.01861	3.8
55.05514	29.3
57.03432	3.3
57.07080	12.4
59.04987	4.1
59.05265	1.7
60.04506	3.0
60.05640	5.6
67.05508	33.1
67.28278	2.2
69.03417	4.1
69.07069	65.0
70.06599	15.3
70.63591	4.1
70.63930	2.6
71.04984	4.3
71.08629	4.6
79.05476	14.5
80.05849	1.9
81.03444	2.2
81.07059	85.1
83.04957	4.0
83.08617	33.0
83.42565	1.8
84.08151	24.2
85.06531	7.9
86.09676	3.8
91.05483	12.2
93.07044	24.9
93.67829	2.0
95.04957	8.9
95.08608	100.0
96.08988	1.9
97.02914	2.0
97.06532	8.5
97.10167	23.2
99.08086	5.6
101.06061	2.0
105.03355	2.9
105.07047	17.6
107.08594	27.4
109.06510	7.3
109.10161	77.9
111.08043	7.4
111.11715	13.0
112.08710	2.9
113.07158	4.2
117.07017	3.8
119.08590	13.9
120.08077	2.4
121.06484	8.4
121.10154	18.0
123.06759	2.0
123.08066	4.5
123.11709	53.0
125.09630	5.8
125.13275	6.0
129.10220	5.4
131.08571	5.2
133.10161	13.0
135.08084	3.0
135.11694	12.7
136.07574	6.5
137.05986	3.4
137.09682	4.2
137.13275	22.1
138.43263	1.9
139.11189	7.2
140.07986	2.1
145.10104	7.1
147.04420	2.2
147.11684	8.5
149.13290	16.7
151.11157	4.4
151.14793	11.6
153.12747	5.5
155.10677	5.1
157.10071	2.3
157.12321	3.1
159.11751	5.9
161.09624	2.8
161.13249	8.2
163.14819	6.1
165.12756	4.5
165.16455	2.4
169.12204	2.9
173.13312	3.5
175.11198	3.3
175.14796	4.4
177.16409	5.7
179.14348	2.3
179.17932	6.7
183.13831	4.7
187.14754	2.1
189.16449	4.7
191.17871	3.9
197.15495	2.7
200.14410	3.1
201.16336	3.1
203.08804	2.0
205.19528	3.7
207.17429	5.4
211.16818	1.8
215.17995	4.1
225.18468	2.8
237.18439	2.5
247.24324	2.1
261.25714	9.4
271.24188	10.7
275.20114	5.0
289.18033	2.9
289.25244	33.8
307.26355	13.5
313.67337	3.5
320.67047	3.0
320.92227	2.6
324.92694	3.3
325.18054	6.9
325.21606	5.0
325.27460	3.2
326.24753	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07071	2.1
53.03947	5.6
55.01878	6.4
55.05513	29.8
56.05023	3.7
57.03436	11.0
57.07062	4.0
59.04995	8.3
60.04533	4.3
60.05640	6.7
65.03928	3.6
67.05510	49.0
69.03433	5.2
69.07069	26.1
70.06598	14.4
70.69418	2.6
70.69754	3.8
71.04996	22.9
73.06543	2.5
79.05499	38.5
81.03419	6.1
81.06590	3.6
81.07059	52.5
82.06562	2.3
83.04993	6.7
83.08629	16.8
84.08150	26.6
85.06541	8.6
85.10252	1.9
86.09698	6.9
87.04496	2.4
89.03853	2.1
91.05479	40.4
93.07049	40.5
95.04962	17.5
95.08612	42.8
95.09155	1.6
96.87350	1.8
97.06531	22.3
97.10169	14.7
99.08138	4.1
105.03413	2.4
105.07037	59.6
106.80408	1.9
107.04952	8.2
107.08592	31.7
109.06541	15.9
109.10165	23.5
111.04464	2.6
111.08067	7.2
112.08736	2.4
113.06042	2.6
113.07143	2.5
115.22821	2.1
117.07025	11.7
119.04956	2.8
119.08585	46.4
121.06512	37.5
121.10139	22.8
123.04427	3.1
123.08100	13.7
123.11714	5.8
124.03960	2.5
125.05992	3.6
125.09619	11.3
129.07024	4.1
129.10266	4.1
131.04916	2.6
131.08580	22.1
133.06549	4.1
133.10133	36.0
134.06052	2.9
135.08051	19.4
135.11688	12.2
136.07570	7.8
137.05972	4.5
137.09633	11.7
137.13263	3.7
139.11189	4.9
141.06966	2.2
143.08598	7.0
145.06506	3.2
145.10126	22.3
147.08069	24.1
147.11685	19.8
149.05994	2.5
149.09660	14.1
149.13252	7.1
149.33958	1.9
151.07539	2.6
151.11165	5.2
152.11507	2.8
155.08592	5.7
157.10204	6.7
159.08057	19.4
159.11690	17.7
161.09608	13.8
161.13303	6.9
162.89891	1.9
163.07549	3.0
163.11176	10.9
165.12776	3.5
166.08611	2.2
169.10117	4.6
171.08063	3.0
171.11693	7.5
173.09692	6.4
173.13268	7.2
175.11177	4.1
175.14948	2.1
176.10670	4.6
177.09200	2.0
177.12787	3.7
179.14284	2.4
181.10239	2.7
181.12181	2.7
183.11676	5.7
185.09656	2.1
185.13196	2.1
187.14868	3.5
189.11211	4.5
189.12753	2.4
193.10118	3.5
193.12222	2.2
195.11778	2.3
197.13316	4.9
206.04465	11.9
213.16438	3.8
215.14449	2.5
215.18010	3.0
223.14851	2.3
229.15929	7.0
229.19487	4.0
233.15419	11.9
239.14392	3.3
239.18019	5.8
247.16945	10.5
247.20590	5.0
249.18481	5.7
251.16516	3.1
253.15746	3.1
257.15341	9.9
257.19000	12.4
261.18588	3.4
271.16940	9.0
275.16629	6.2
275.20062	100.0
287.14819	3.6
289.18045	23.9
289.25284	2.4
293.21188	5.1
307.19080	13.1
307.22699	44.4
307.26059	4.1
320.92294	2.1
324.93008	9.1
325.17770	2.5
325.21252	14.0
326.24881	4.6
330.70743	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	325.2161
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03935	5.4
55.01859	5.1
55.05500	8.4
56.17778	1.7
57.03419	2.7
57.07058	3.6
60.42063	2.0
65.03918	2.7
67.05508	16.3
69.03413	4.3
69.07066	12.5
70.06573	2.2
70.76089	3.2
70.76428	3.4
74.35861	1.9
77.03901	2.1
79.05498	21.2
81.03419	3.5
81.07055	24.8
81.44405	2.1
83.04968	3.7
83.08634	4.2
84.08126	2.8
85.06534	4.5
91.05479	26.9
93.07045	38.1
94.13381	1.7
95.04375	3.0
95.04969	44.4
95.08613	17.3
97.06536	21.1
100.55827	1.7
105.07034	47.6
107.04916	2.9
107.08591	19.6
109.06523	5.4
109.10139	10.6
115.05446	3.8
116.06214	1.9
117.07009	11.1
119.04990	3.1
119.08579	36.5
121.06503	7.2
121.10149	18.9
123.08025	2.7
123.11685	2.3
128.06229	6.9
129.07016	10.6
130.07774	3.5
131.08556	16.7
133.06468	5.0
133.10139	14.9
135.08058	4.2
135.11688	5.0
140.55891	1.6
141.06985	6.9
142.07779	12.6
143.07655	2.4
143.08582	21.8
144.09325	2.3
145.06406	2.7
145.10133	34.8
147.08064	6.8
147.11694	5.3
149.09578	4.5
149.13240	2.0
153.06976	3.5
154.07745	2.8
155.08563	12.5
156.09346	8.4
157.10133	28.4
158.10939	2.1
159.08066	7.6
159.11705	14.8
161.09613	11.4
165.07030	5.8
166.07764	4.5
167.08554	12.3
168.09363	5.2
169.10124	20.1
170.10884	4.7
171.07991	2.9
171.11705	15.7
173.09618	2.3
173.13278	11.1
175.11229	2.2
179.08530	9.5
179.74232	2.0
180.09329	6.3
181.10149	15.1
182.10895	10.9
183.11696	17.2
184.12329	2.8
185.09647	17.3
185.13287	6.6
187.11198	2.3
187.14841	3.2
191.14261	3.2
192.09360	5.6
193.10106	17.5
194.10931	9.0
195.07944	3.8
195.11703	19.1
196.12445	3.9
197.09639	2.5
197.13306	21.1
198.14034	2.5
199.11147	3.8
199.14836	7.9
201.12752	5.1
203.08458	3.3
204.09201	2.2
205.10201	4.9
206.10985	6.9
207.11694	18.9
208.12430	9.9
209.09590	3.1
209.13258	19.3
210.10359	2.2
211.11241	2.3
211.14836	11.7
213.12747	5.1
213.16289	2.4
215.14259	2.5
216.62936	1.8
217.10181	2.2
217.15855	2.2
218.11024	4.3
219.11749	5.3
220.12524	2.8
221.13284	9.3
222.13953	4.4
223.14822	19.7
224.15515	2.3
225.12711	7.6
227.14314	7.9
229.15968	2.2
231.11696	3.1
232.12479	2.5
233.13222	12.3
233.15483	5.9
234.14032	2.6
235.14740	4.6
237.12686	3.5
237.16385	8.9
239.14317	3.3
239.17958	2.7
241.15903	4.9
245.13248	3.7
246.14032	2.0
247.14795	6.0
249.16360	4.9
251.14290	14.5
251.18138	2.2
255.17274	2.9
259.14832	3.8
263.17880	7.0
265.15936	4.5
265.19470	2.9
267.17514	3.1
269.15305	11.2
274.17255	5.1
279.21075	10.5
281.18881	2.6
289.19592	9.9
297.22141	13.4
307.20581	40.5
307.26178	2.6
325.21606	100.0
326.25104	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2159
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03947	5.0
54.30695	1.6
55.01884	10.9
55.05513	19.3
57.03428	5.9
57.07071	8.3
63.24657	1.6
67.05509	28.6
69.03423	7.3
69.07069	23.6
70.06589	5.5
71.04992	5.7
71.32598	2.8
79.05495	33.1
81.03432	5.9
81.07061	43.5
83.04996	9.1
83.08619	10.7
84.08147	12.0
85.06545	7.9
91.05483	43.3
93.07046	47.8
95.04975	62.5
95.08612	24.2
97.06535	78.4
97.10175	6.9
100.40015	1.7
103.05489	5.3
105.03416	2.4
105.04543	1.9
105.07035	67.0
107.04946	7.9
107.08598	34.6
109.06498	15.2
109.10166	22.1
111.08088	5.4
113.06033	3.5
115.05465	4.8
117.07027	16.7
118.07902	1.9
119.04923	2.4
119.08585	48.6
120.08125	1.8
121.06503	14.0
121.10147	22.3
123.04353	1.9
123.08065	5.8
123.11752	5.9
125.09662	6.0
127.07603	3.2
128.06238	10.4
129.06996	12.3
130.07770	3.5
131.08568	24.9
133.06494	7.0
133.10133	32.6
135.08084	6.3
135.11703	6.0
137.09619	5.1
139.11188	1.9
141.06981	7.8
142.07796	17.5
143.08578	30.3
144.09319	4.3
145.06474	4.3
145.10132	37.4
146.07256	2.4
147.08066	8.3
147.11696	9.2
149.06032	2.3
149.09673	6.8
151.11226	8.6
153.07014	4.4
154.07832	2.2
155.08539	15.4
156.09398	9.8
157.10133	37.3
158.10953	5.0
159.08086	10.1
159.11716	20.1
160.08655	2.0
161.09636	14.1
161.13264	3.7
163.11011	1.7
165.06996	8.6
166.07808	6.0
167.08553	15.2
167.10732	2.4
168.09363	5.4
169.10114	21.3
170.10881	3.7
171.08128	4.0
171.11690	15.6
172.12468	3.8
173.09642	6.7
173.13295	15.2
175.11108	4.0
175.14844	2.5
177.09099	3.8
177.12714	3.1
178.07750	2.2
179.08630	13.5
179.10719	2.3
180.09378	5.2
181.10121	19.2
182.10904	11.8
183.11679	22.4
184.12503	3.7
185.09653	15.2
185.13261	10.0
187.11189	4.5
187.14876	3.1
189.11266	3.2
189.12837	4.4
190.11484	2.5
191.08582	3.4
191.14363	2.5
192.09407	6.7
193.10114	19.0
194.10918	10.6
195.11719	20.8
196.12492	5.3
197.09639	3.2
197.13239	22.7
198.10408	2.5
198.14041	3.6
199.11183	6.4
199.14783	9.7
201.12793	4.4
203.08540	3.9
204.09378	3.0
205.10132	5.8
205.12138	2.8
206.10902	5.9
207.11720	17.6
208.12480	11.3
209.09685	2.8
209.13289	22.0
210.10403	2.9
210.13977	2.6
211.11205	4.1
211.14856	10.7
213.12784	7.7
213.16312	2.5
215.14368	5.8
217.10095	5.4
218.10968	6.4
219.11736	6.6
219.13829	2.3
221.13321	12.2
222.14021	3.1
223.11290	2.8
223.14841	18.1
225.12807	9.4
225.16452	4.4
227.14359	9.4
229.15857	2.9
231.11746	3.1
232.12640	2.5
233.13290	15.2
233.15434	7.5
234.14069	3.0
235.14912	4.7
236.12018	2.9
237.12793	5.4
237.16486	9.9
239.14340	2.9
241.15912	7.9
243.17519	4.0
245.13196	2.8
247.14931	4.9
248.15778	2.6
249.16473	4.7
251.14291	15.2
255.17326	2.5
259.14868	5.0
261.18607	4.4
263.18076	7.0
265.15848	3.6
265.19211	2.0
269.15234	11.7
271.17096	4.0
272.17413	3.3
274.17303	4.2
279.21231	8.6
281.19138	4.0
289.18164	16.6
290.18420	3.5
297.22083	9.7
307.20728	38.8
325.21664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21014	1.0
55.01869	1.3
55.05502	2.5
56.05045	4.8
56.05259	0.8
57.03173	1.0
57.03443	2.0
57.07075	1.0
60.04532	6.2
60.05657	7.0
67.05515	6.3
68.05025	4.0
68.05859	0.9
69.03430	1.7
69.05811	1.6
69.07079	1.7
70.06601	22.1
72.08154	2.7
73.06414	0.8
74.06067	1.6
79.05486	3.7
80.04990	1.9
81.07050	3.5
82.06591	2.4
84.04511	12.1
84.08154	38.8
85.02919	13.3
85.06535	1.2
85.07676	1.6
85.08475	1.0
86.06081	7.2
86.07218	1.0
86.09711	9.4
87.04465	1.0
91.05499	4.9
93.07050	6.4
94.06586	1.1
95.01321	1.1
95.04962	1.6
95.28211	1.0
96.04477	1.8
96.08128	2.9
98.06044	3.9
98.07195	1.0
98.09705	2.4
98.21548	1.6
102.05558	9.4
103.05467	0.9
105.07067	1.3
107.08591	2.8
108.08134	34.2
109.06522	1.6
109.10178	1.2
110.07164	3.7
110.09677	3.9
112.03967	1.1
112.08724	4.2
112.57964	1.4
113.07121	2.5
114.05533	1.4
115.08668	1.0
119.04956	3.6
119.08600	1.9
120.08076	5.1
121.06487	1.3
122.06062	1.1
122.09662	4.0
123.10499	1.5
124.07602	3.7
124.11246	1.2
127.09779	1.0
127.12305	1.0
129.10284	8.5
129.22293	0.9
130.05020	72.4
130.06554	2.3
133.10114	1.3
134.09653	1.3
135.06801	2.3
135.11697	4.9
136.07579	9.9
137.06027	5.2
137.06918	1.3
137.08023	1.1
138.06628	1.0
138.09129	1.9
140.08238	1.1
142.05046	1.2
147.04448	5.5
148.07530	2.0
150.12819	10.9
151.13553	1.9
152.14357	92.4
154.15912	3.0
158.06084	1.9
158.97502	0.9
162.08971	1.0
163.03937	1.3
163.08701	1.0
166.04945	0.9
166.08644	1.2
168.06570	1.1
170.06013	1.4
174.09221	1.1
178.15901	2.7
186.09068	1.1
196.16983	29.3
201.09090	2.7
202.89690	0.9
212.12863	1.6
217.13385	0.9
219.07779	1.1
235.18039	2.9
236.16606	0.9
238.11848	0.9
253.23784	0.9
261.19666	1.3
264.15985	14.2
266.17435	1.0
273.15192	1.2
281.18634	71.5
281.40430	1.2
283.20270	1.9
287.14700	3.5
295.66339	1.0
297.91675	1.7
298.16614	1.1
302.42068	2.8
304.91498	1.0
307.13385	1.1
307.16437	5.4
307.19907	1.1
308.14960	1.6
308.18582	3.6
309.41803	1.7
309.66306	1.4
313.67334	6.0
313.92410	4.0
314.67172	1.7
316.41931	1.1
320.42993	1.5
320.67245	6.6
320.92233	2.5
324.92896	8.1
325.03659	1.4
325.07178	1.6
325.17847	8.8
325.21265	100.0
325.43069	1.6
326.21579	1.4
329.84604	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	325.2008
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.76338	1.8
52.31701	1.9
53.03951	12.5
55.01874	12.9
55.05519	21.8
57.03439	14.0
65.03940	2.6
67.05509	56.5
69.03432	9.8
69.07069	21.3
69.97673	3.1
69.98077	4.9
70.06577	5.8
71.04984	9.6
79.05501	35.4
81.03413	22.6
81.07054	55.5
81.07533	3.5
83.04989	24.6
83.08614	8.5
83.16766	1.8
84.08144	10.3
85.06529	9.6
86.09731	2.0
91.05476	34.8
93.07045	39.4
95.04981	24.1
95.08605	34.6
97.02921	2.0
97.06535	100.0
97.10141	5.6
99.04468	3.1
103.05418	2.9
105.03425	1.8
105.06393	3.4
105.07043	36.0
107.04969	20.7
107.08607	29.5
108.05783	2.6
109.06481	11.9
109.10156	33.2
111.04455	17.0
111.08069	9.8
113.05995	7.1
117.07031	9.5
119.05038	2.3
119.08596	18.8
120.08138	2.0
121.06504	20.9
121.10138	12.0
123.04440	3.8
123.08107	13.7
123.11715	6.3
125.06010	4.5
125.09637	7.2
128.06241	1.9
129.05464	1.8
129.07016	4.9
131.08597	13.8
133.06496	7.2
133.10139	35.8
135.08072	11.0
135.11679	13.2
137.05968	2.5
137.09622	3.9
141.07007	3.0
143.08578	3.9
145.06523	11.6
145.10144	9.9
147.08061	10.5
147.11731	5.1
147.58873	2.1
149.05928	3.1
149.09659	5.9
149.13248	7.6
151.07599	2.2
151.11157	16.8
155.08574	3.8
157.10141	3.8
159.08057	13.2
159.11693	11.8
161.09622	8.9
161.13327	2.5
163.07535	4.7
163.11205	4.1
163.14801	3.5
167.08672	3.3
169.10152	6.6
169.12262	2.5
171.11731	2.6
173.09616	2.8
173.13275	3.9
177.09138	2.8
177.12804	10.3
185.13316	2.1
187.11159	11.8
187.14876	2.4
189.11198	2.8
193.12273	4.1
195.13838	6.3
197.13316	2.8
200.14346	2.8
205.12218	5.2
208.12674	3.0
211.13248	3.9
221.11719	4.9
223.13252	15.9
223.15045	1.9
225.16272	2.6
229.15948	2.3
233.15500	10.2
237.14848	2.6
241.14297	20.9
243.17426	3.6
247.17004	4.6
251.14310	2.3
253.15707	2.4
257.15424	3.9
261.18573	12.7
271.17020	14.8
275.16312	4.7
289.17999	61.8
289.21274	3.0
301.44128	2.1
307.18976	32.4
307.25961	2.1
324.92905	2.9
325.20303	11.3
326.24847	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	325.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
53.10081	0.7
55.01853	1.5
55.05510	8.1
56.05032	1.7
57.03415	1.1
57.07062	1.0
60.04531	4.5
60.05635	3.4
66.04652	0.9
67.05186	0.8
67.05510	11.2
68.05029	3.9
69.03430	25.9
69.05808	0.8
69.07067	8.2
70.04250	3.0
70.06253	1.1
70.06596	11.4
71.04979	2.2
72.08135	1.5
79.05496	7.8
80.05021	3.1
81.03413	2.5
81.07059	38.3
82.22084	0.8
82.37640	0.7
83.04961	1.9
83.08632	1.8
84.08144	16.4
85.02921	1.5
85.06538	2.1
86.06059	3.5
86.09669	0.9
87.04470	96.4
91.05472	6.5
93.04531	1.6
93.05788	1.5
93.07053	8.3
94.06559	1.6
94.07347	0.8
95.04954	3.2
95.06094	6.5
95.08614	12.5
96.04509	1.8
96.08120	2.2
97.02877	2.0
97.06534	2.4
97.10178	5.0
98.06038	2.8
99.04446	1.7
99.08092	1.3
103.05438	1.3
105.07037	4.6
106.06576	1.6
107.04964	1.5
107.06084	9.9
107.08591	6.7
108.08108	1.8
109.06524	10.1
109.10168	5.7
110.07176	1.3
111.04431	0.9
111.08057	2.3
112.07571	2.2
112.08720	2.1
113.07129	1.2
115.05433	0.9
117.07019	1.3
119.04976	1.6
119.08556	3.1
120.08075	1.2
121.06542	4.6
121.08885	1.8
121.10136	3.4
122.06052	1.3
122.09672	31.9
123.05554	70.3
123.08025	3.8
123.11697	5.3
124.07587	1.4
124.08416	1.1
125.07007	0.8
125.09574	1.5
127.03909	2.3
127.09820	1.2
129.06999	0.9
129.10236	2.9
130.08604	1.0
131.08612	1.4
133.10121	2.9
134.06053	0.9
135.06786	1.7
135.07994	0.8
135.11681	3.0
136.07610	5.8
136.11148	1.1
137.05983	58.1
137.09549	1.0
137.13301	1.5
138.05511	6.9
138.06461	1.6
138.12735	0.7
139.07539	3.2
139.09959	0.8
139.11107	1.0
140.10687	4.9
141.06592	35.8
142.08636	2.5
145.10107	2.7
147.04407	1.1
147.08041	1.5
147.11707	1.4
147.58754	1.3
149.06003	1.5
149.09822	1.4
149.10745	37.6
149.13246	2.6
150.12787	8.3
155.08395	1.3
156.06506	1.3
159.08012	0.9
159.11655	1.7
161.13287	1.7
164.10721	24.2
165.05537	4.3
166.12292	1.8
173.13225	1.2
174.07584	3.4
174.08888	0.7
175.11203	1.2
176.10703	1.7
177.09123	1.9
177.13890	21.6
182.11778	12.6
185.09576	1.2
191.11781	4.9
194.11832	1.6
195.06523	1.0
200.14366	1.5
201.09087	2.6
203.10692	1.8
204.08693	2.4
206.15404	1.1
208.13327	23.2
209.12875	2.3
212.12837	10.7
217.13434	1.3
226.14388	3.8
233.16554	1.0
234.83629	0.8
235.14413	100.0
236.16510	5.2
239.13853	3.0
247.09689	4.0
250.14455	2.9
262.14386	1.0
263.17572	19.5
268.15436	26.9
277.15457	6.7
280.15457	11.1
287.48370	1.0
289.18082	1.4
293.10223	2.5
295.16595	11.4
295.66199	1.4
297.91623	1.5
298.16492	76.5
299.17050	0.9
302.06226	0.8
302.41739	1.3
307.16531	23.4
307.26212	2.4
309.41492	0.9
313.67303	3.1
313.92508	3.3
316.17194	1.2
320.67178	4.2
320.92172	2.5
324.92834	3.3
325.17596	75.9
329.84808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1435
Annotation	dorsmanin A
Peak:m/z	Relative Intensity
53.00303	0.3
55.05499	0.3
57.07075	0.4
65.03939	3.0
67.05489	0.7
69.07050	0.6
70.06584	0.3
70.10379	1.0
81.07043	0.7
84.08125	0.5
90.96410	0.3
91.05476	0.7
93.03407	2.8
93.07056	0.8
95.01334	0.5
95.08619	0.6
105.03407	0.4
107.08571	0.3
111.04435	0.4
113.56117	0.3
121.02895	2.7
121.03794	0.4
121.06502	1.1
131.01283	4.4
131.08592	0.3
133.10088	0.4
135.11781	0.4
145.10124	0.4
149.02342	100.0
149.76051	0.3
150.02739	0.4
163.03947	0.4
167.03401	81.8
193.04932	0.6
205.08598	5.6
219.97231	0.3
227.06993	0.4
252.60896	0.3
269.08084	54.6
270.08331	0.4
295.26843	0.3
325.14340	27.3
325.26138	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1549
Annotation	Oxyphenbutazone
Peak:m/z	Relative Intensity
53.03943	3.0
54.03465	2.9
55.01867	2.0
55.05516	6.5
56.05036	1.9
57.03426	1.6
57.07067	3.1
57.69977	0.7
59.05002	1.7
60.04533	3.5
60.05652	3.5
67.05508	9.9
68.05039	1.7
69.03438	1.9
69.07069	16.0
69.30478	0.6
69.30797	5.3
70.06597	8.3
71.04984	2.8
71.08643	0.8
79.05498	5.4
79.95485	0.7
80.05009	1.0
81.03418	0.8
81.07060	23.8
82.02942	5.6
82.06610	0.7
83.01342	0.8
83.04979	2.7
83.08617	5.6
84.04503	0.8
84.08148	13.1
85.02902	3.0
85.06549	6.1
85.07648	0.7
85.08486	0.8
91.05478	14.9
93.07047	29.2
94.06590	0.8
95.04969	5.6
95.07342	0.8
95.08610	18.0
96.04487	1.1
96.08135	9.7
97.06539	3.4
97.10173	2.0
98.09714	0.8
99.08096	1.8
101.06017	1.3
103.05473	14.5
105.03380	1.0
105.04504	0.8
105.07044	6.4
107.04959	2.6
107.08595	11.7
108.08121	5.5
109.06527	1.8
109.10162	12.1
110.02411	1.4
110.07173	0.7
111.08086	5.5
111.11722	2.1
111.78766	0.6
112.08709	1.4
113.07169	1.3
113.09634	1.9
117.07040	0.8
119.04940	1.0
119.08601	5.8
120.05741	2.7
120.08072	0.8
121.06511	94.2
121.10146	7.3
123.08070	0.8
123.11703	11.7
125.09641	2.0
127.11171	3.1
129.10233	2.2
132.08095	1.3
133.10129	4.8
134.06015	0.8
134.09595	0.9
135.06828	1.3
135.08020	1.2
135.11678	5.9
136.07602	4.2
137.06021	0.8
137.09659	0.8
137.13284	3.6
139.11188	1.8
145.04945	0.7
145.10098	2.0
147.08023	0.8
147.11670	4.5
148.06340	0.8
149.13258	5.4
151.14844	1.4
153.12737	3.5
155.09389	1.0
159.09193	4.4
159.11682	1.5
160.07564	1.3
161.09526	0.9
161.13245	2.6
162.09077	1.0
163.11078	1.0
163.14854	1.6
165.05338	0.9
165.12778	2.0
167.14264	0.7
170.06026	1.1
173.13329	0.9
174.09186	1.0
175.11224	1.0
175.14832	1.8
177.10295	1.4
177.16351	1.5
179.14365	0.7
181.12268	0.8
185.15343	0.7
187.08675	7.2
187.14932	0.9
188.07138	0.8
189.16360	0.8
193.15842	1.0
200.14630	0.7
201.16385	1.6
202.83670	0.6
203.17950	5.7
204.06845	1.3
205.09729	15.8
216.13873	1.8
221.19031	1.8
223.13406	0.7
263.16522	0.8
271.16840	1.0
271.24139	1.0
287.14655	1.2
289.17984	1.4
289.25317	4.2
302.41904	0.7
306.16458	0.7
307.14352	1.9
307.26416	6.1
309.66302	1.0
313.12982	0.7
313.67145	1.7
313.92355	2.3
320.42465	1.0
320.67215	2.4
320.92102	2.5
324.92880	5.2
325.15433	100.0
325.27414	4.3
326.15717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1434
Annotation	(-)-phaseolin
Peak:m/z	Relative Intensity
53.03952	0.7
55.01870	1.4
61.02917	2.6
67.05494	0.9
68.99789	2.4
69.03435	0.9
69.07072	18.6
70.06017	2.7
71.01356	1.6
72.24558	0.6
73.02911	1.5
81.03414	4.1
81.07045	0.8
85.02919	3.9
91.03957	2.6
91.05517	1.2
92.16530	0.6
95.04945	0.8
95.08568	0.6
97.02879	1.3
103.05484	4.5
107.04977	1.5
111.04415	0.8
117.07030	0.9
119.04941	1.9
121.02892	0.7
123.04443	7.0
124.10099	0.6
127.03891	2.1
128.06230	1.1
129.07013	1.1
131.04950	10.9
133.06464	1.1
134.39059	0.6
135.04364	1.7
137.02342	77.5
141.06917	0.6
145.04971	1.2
145.06493	1.5
145.10107	1.2
147.04422	5.3
147.95784	0.6
149.02338	0.6
152.06194	1.0
153.06985	1.4
155.03424	1.0
155.06100	0.6
157.06543	3.3
159.04411	12.2
159.08067	1.9
161.13315	0.6
163.03896	4.7
163.06056	0.9
165.07004	1.9
167.08583	2.6
169.06461	2.0
171.08067	6.9
173.05916	3.5
173.09666	1.1
177.05551	3.1
177.06845	1.0
179.08562	1.9
181.06503	4.4
183.08026	3.1
185.05962	5.0
195.08069	5.4
197.05974	1.9
197.09650	1.8
198.06741	1.6
199.07545	28.4
205.06491	1.3
209.05923	1.7
211.07539	0.9
213.05461	2.1
213.09105	3.1
215.10605	5.3
223.07555	8.0
225.05521	1.1
225.09116	2.7
226.06250	2.9
227.07031	32.8
233.06017	1.0
241.08537	5.0
251.07028	20.5
254.05830	1.0
257.08078	7.3
269.08090	60.9
287.09232	3.3
307.13272	1.5
325.14346	100.0
325.26038	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	325.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01870	3.0
55.05515	13.3
56.05025	4.1
56.96557	1.5
57.03444	2.0
57.07065	3.4
59.04988	1.5
60.04531	9.0
60.05421	1.2
60.05651	12.2
65.03939	2.0
67.01885	1.7
67.05509	20.5
68.05019	3.8
69.03085	1.3
69.03432	14.3
69.05816	2.4
69.07070	23.7
70.06207	1.7
70.06596	34.1
71.04983	4.0
71.08639	1.2
71.52125	1.2
72.05614	1.2
73.06441	2.1
79.05491	16.5
79.25096	1.0
81.03427	6.5
81.07059	62.9
82.06557	1.9
82.17913	0.9
83.04980	10.6
83.08620	7.1
84.04501	1.9
84.08147	54.7
85.02910	3.6
85.06551	9.2
85.07660	1.8
85.08470	2.7
86.09683	3.2
91.05489	18.1
93.07045	21.3
95.04979	9.5
95.08611	26.0
96.04501	3.1
96.08098	2.0
97.02879	3.0
97.06535	6.6
97.07654	1.9
97.10156	5.3
98.06017	1.3
98.07189	1.8
98.09691	2.8
98.97554	2.0
99.04463	10.7
99.08080	2.5
103.05450	2.4
105.04515	1.6
105.07043	12.2
107.04972	9.0
107.08596	14.2
109.02862	1.2
109.06518	19.7
109.10159	15.0
110.07140	4.5
111.04444	4.9
111.08090	6.8
111.11703	4.5
112.08764	7.0
112.57912	3.0
113.07108	6.1
115.05468	1.7
115.08700	1.7
117.07063	6.7
119.04976	5.3
119.08594	11.5
121.06499	11.9
121.10132	11.1
122.07211	1.4
122.09663	1.1
123.04415	4.1
123.08067	3.2
123.11685	9.0
125.09613	4.5
127.03935	26.4
127.09788	2.6
127.12271	1.6
128.06218	1.2
129.06995	4.8
129.10236	8.7
130.04950	1.7
130.07809	1.9
131.04884	1.9
131.08563	6.1
133.06479	2.8
133.10120	6.5
134.06021	2.4
135.04376	1.3
135.06776	5.6
135.08028	7.2
135.11707	6.8
136.06174	1.8
136.07600	16.2
137.05989	100.0
137.09596	4.1
137.13245	5.3
137.50296	1.3
138.06569	3.1
139.11200	3.9
141.07004	1.7
142.07791	7.1
143.08533	4.2
145.06453	3.8
145.10135	9.9
146.07272	1.5
146.95865	1.2
147.04367	3.5
147.08087	2.6
147.11702	6.3
148.07523	1.6
149.06015	6.0
149.09662	1.4
149.13254	4.1
150.09148	1.4
151.07524	2.8
151.11230	1.5
153.09079	1.3
153.12709	2.7
155.08369	3.7
156.08105	1.1
156.10117	1.9
157.10036	8.7
158.07278	3.1
159.08055	3.8
159.11665	4.3
161.06000	3.0
161.09622	4.9
161.13210	2.4
163.03888	2.2
163.07527	3.3
163.11182	4.7
163.14757	1.5
165.05443	6.5
165.12758	1.6
165.99127	1.2
167.07027	2.6
169.08736	1.1
170.07178	1.1
171.07942	1.4
173.05948	1.2
173.09633	17.6
174.09135	1.2
174.13496	1.9
175.07564	3.2
175.11136	4.4
179.10614	1.1
183.07887	1.3
185.09647	12.5
186.09134	2.2
187.11130	3.2
188.11018	2.0
189.09126	4.0
189.11078	2.1
191.07010	3.7
191.10599	3.5
193.09734	2.1
193.12270	1.5
195.06558	3.5
197.13364	1.6
197.44347	2.0
200.14345	1.3
201.09119	23.2
203.10648	12.6
203.17909	2.0
209.18971	1.2
210.14876	4.2
217.08662	2.5
217.12294	1.7
219.06676	2.8
219.10231	14.6
221.11739	2.4
229.08559	10.5
231.10187	4.1
233.15404	4.0
237.10260	1.3
245.61934	1.2
247.09630	19.5
257.08105	4.7
261.11218	2.3
265.10724	3.6
271.16730	1.7
273.14844	1.8
275.09229	2.8
279.12317	15.5
287.14658	3.9
287.48328	2.0
289.18185	2.8
289.25317	3.9
290.15485	1.2
293.09848	5.6
295.66257	1.3
297.12436	1.2
302.41760	2.7
302.67133	1.9
304.91586	1.4
305.15875	1.3
307.11526	2.6
307.19528	1.6
307.26282	4.3
309.16983	2.7
309.41998	2.3
309.66165	2.0
310.16473	1.6
313.67197	9.4
313.92380	10.2
314.17197	1.8
316.41898	2.1
320.67133	12.0
320.92203	5.6
324.92853	15.4
325.17743	11.4
325.21313	3.8
325.27295	4.1
325.42905	3.6
329.84558	1.8
335.85373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42953	0.9
53.03937	2.3
55.01865	4.0
55.05515	5.8
64.54007	0.9
65.03923	1.2
66.37061	1.0
67.05490	3.6
68.99791	1.6
69.03430	7.5
69.07062	1.7
69.66213	6.1
70.06584	1.0
79.05493	6.5
81.03422	1.6
81.07061	7.3
83.04983	36.8
84.08142	2.2
85.02897	3.0
87.00844	1.1
91.05485	20.4
91.48370	1.0
93.07043	24.2
95.04958	4.0
95.08601	2.3
97.06510	1.8
98.21518	1.5
101.05991	3.1
102.41117	1.2
103.03969	5.4
105.07034	30.3
107.04961	2.8
107.08592	8.3
109.06515	9.3
109.10187	2.8
111.03732	1.4
111.04450	14.1
111.08051	2.4
114.76540	1.0
117.07011	2.7
119.04949	8.3
119.08590	21.2
121.06523	9.4
121.10125	6.6
123.08069	2.2
128.06200	1.0
129.05473	7.7
129.06993	3.0
131.08559	6.3
133.06485	8.4
133.10136	43.8
135.08069	13.0
135.11676	1.4
136.07867	1.3
136.08852	8.6
137.05984	16.9
137.09621	7.3
142.07774	7.2
144.09315	2.3
145.06506	2.5
145.10129	2.6
146.07262	3.1
147.04372	3.9
147.08028	4.3
147.11691	24.7
149.09630	46.9
157.10132	14.2
159.11697	3.5
160.08824	15.2
161.06006	3.0
161.09613	44.3
161.10707	0.8
165.05472	5.1
174.06770	1.2
175.11191	81.3
179.10698	2.0
185.09602	2.0
188.08287	6.7
189.03894	1.1
190.05084	1.5
193.12222	19.8
203.10669	43.2
221.11731	100.0
236.17567	1.0
239.12787	20.0
254.96249	1.2
284.45563	1.0
307.11646	7.8
325.12720	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	325.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01878	1.5
55.05518	4.2
60.06853	0.8
61.30405	0.8
65.03954	1.0
67.05529	1.9
69.03439	4.4
69.07050	1.8
71.04993	0.8
79.05490	2.3
81.07047	4.0
83.04986	30.8
85.02890	1.2
91.05482	10.9
92.17807	0.8
93.07040	14.8
93.07576	1.5
94.07747	0.7
95.01347	1.0
95.04974	2.0
95.08616	1.2
103.03960	1.1
105.07038	16.5
107.04959	1.7
107.08613	4.6
108.45641	0.8
109.06512	3.5
109.10175	0.9
111.04452	6.6
111.08052	0.9
114.88311	0.8
115.05485	1.3
117.07027	2.4
119.04952	5.8
119.08583	13.4
121.06506	8.8
121.10154	2.1
123.08058	1.6
129.06978	2.7
131.08592	3.2
133.06514	5.3
133.09126	1.3
133.10133	26.3
135.08055	5.5
136.08855	7.1
137.05989	13.7
137.09637	3.1
142.07767	5.4
143.08559	1.2
144.09341	2.1
145.06499	2.8
145.10118	1.2
146.07278	1.3
146.40266	0.9
147.04388	4.3
147.08038	1.7
147.11668	14.4
149.09622	9.7
151.07487	0.9
157.10127	8.2
159.08089	1.1
159.11728	3.2
160.08842	6.4
161.06003	3.6
161.09616	32.3
165.05446	3.5
174.06766	1.6
175.07697	1.3
175.11188	43.1
179.10699	1.2
185.09621	1.6
188.08302	4.5
193.12257	3.4
203.10664	29.5
221.11731	100.0
222.76666	0.8
239.12787	2.5
311.73196	0.8
320.04514	0.9
325.12839	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	324.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89971	4.1
53.03945	5.9
55.01877	10.4
55.05517	68.6
55.91055	3.8
57.03455	4.7
60.53950	5.1
67.05516	33.5
69.03426	14.5
69.07080	21.4
70.04073	15.6
70.06591	12.7
70.63362	12.6
70.91264	3.9
79.05502	43.1
81.03422	5.0
81.07059	34.9
83.04978	12.9
83.08616	47.2
84.08159	14.6
85.06553	10.2
91.05489	50.7
93.07051	27.0
95.04981	12.6
95.08617	18.1
97.06548	17.1
97.10175	91.3
98.09705	5.5
105.07043	22.5
107.04943	7.3
107.08617	33.4
109.06499	5.3
109.10153	8.8
117.07032	20.9
119.08586	100.0
121.06512	12.9
121.10155	11.6
123.08057	4.3
125.09643	72.4
128.06255	5.5
129.07014	8.6
131.08540	11.7
132.08096	11.0
133.06532	9.6
133.10165	10.6
134.06000	4.8
135.08061	16.9
142.07794	9.7
143.08588	11.7
145.06506	18.4
145.10115	8.0
146.07117	5.0
147.08061	12.7
151.11195	4.5
153.09125	5.4
155.08551	7.4
157.10179	12.5
159.08067	25.9
159.11685	7.9
161.09679	11.8
163.07582	8.3
169.10078	5.4
171.10228	5.9
173.09647	6.7
176.10719	4.9
182.10768	4.8
189.11230	84.3
195.11703	4.2
197.13312	4.8
222.08177	4.2
235.14861	4.9
253.15929	9.1
261.18524	4.8
271.16956	73.0
288.12686	5.8
288.15924	7.5
289.17981	76.5
306.17096	7.3
307.20163	5.7
324.10962	5.0
324.17999	9.5
324.23898	8.1
325.21857	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	324.196
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03942	0.7
55.01864	0.2
55.05527	0.4
56.05039	0.4
67.05498	0.4
69.75413	0.2
69.96503	0.4
69.96889	0.5
70.06590	0.5
71.05006	0.3
74.20128	0.2
79.05495	15.6
82.07391	0.2
83.04942	0.2
83.08645	0.2
84.08134	0.5
84.51447	0.2
85.02897	0.3
91.05483	0.8
93.07050	1.7
94.07381	0.3
95.04959	0.8
95.08620	0.7
96.08968	0.3
97.02896	0.2
97.06516	0.3
98.09697	0.8
98.97591	0.2
102.04745	0.2
103.05471	33.2
105.04556	0.3
105.07036	2.9
107.04958	17.8
107.08617	0.5
109.10199	0.2
110.06048	0.2
118.06553	3.9
119.08617	0.5
120.08113	0.3
121.06509	1.6
121.10176	0.6
122.10514	0.2
123.11718	0.3
131.04933	11.5
131.08615	0.3
132.08069	1.7
133.08891	0.8
134.09615	0.3
136.07642	0.2
140.11557	0.3
144.08099	0.2
145.08960	0.3
145.10094	0.3
146.09636	1.6
147.10466	0.4
149.06026	0.8
150.13663	0.2
158.09700	0.3
160.11263	0.4
162.13707	0.2
176.14351	44.0
177.14725	0.4
189.15137	0.4
190.08685	0.2
202.16805	0.3
204.10287	0.3
218.11876	0.2
220.17699	0.2
233.14189	0.5
234.41296	0.2
250.18027	0.3
252.13799	0.2
266.11966	0.3
280.13217	0.5
294.14804	0.3
301.07242	0.3
306.25342	0.3
307.15485	0.3
324.19574	100.0
324.92743	0.3
325.19943	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03949	0.3
54.29967	0.3
55.01865	0.7
55.05511	1.8
56.05029	0.4
57.03429	0.3
57.07061	0.4
58.06604	0.4
58.85817	0.3
67.05509	3.5
69.07072	10.2
70.06596	0.4
70.56046	1.1
71.04982	0.4
77.21635	0.4
79.05506	3.3
81.07056	6.5
83.04987	3.4
84.08130	0.3
84.18075	0.3
85.06551	0.5
86.09709	100.0
91.05482	10.4
93.06482	0.7
93.07050	12.1
95.04964	2.8
95.08595	2.2
96.09026	0.4
97.06529	0.6
103.86995	0.3
105.07034	15.0
107.08591	3.5
109.06528	8.0
109.10169	1.4
111.08095	3.3
112.41983	0.4
117.07038	0.8
119.08604	4.3
121.06507	1.1
121.10155	1.3
123.08086	1.5
123.11727	0.8
123.35789	0.3
124.12050	0.7
128.10718	5.0
129.07008	1.2
129.57176	0.3
131.08560	4.4
132.10210	30.5
133.06506	1.0
133.10136	18.3
137.05984	0.4
140.92323	0.3
145.10117	0.4
147.08165	0.5
147.11693	13.3
149.09616	1.5
149.13252	1.2
151.07608	3.4
151.11189	42.7
156.10202	1.3
157.10147	1.0
165.12773	1.9
167.14420	0.4
174.11234	0.3
175.11186	4.6
192.13857	0.5
193.12233	5.1
210.14883	0.7
222.14865	0.9
243.42221	0.3
260.20123	6.8
278.21161	31.2
279.21716	0.4
288.16196	0.4
288.19452	0.4
306.20685	6.7
313.88815	0.3
324.21707	23.3
325.22144	0.4
326.99866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.8
55.01870	2.3
55.05519	5.7
55.41584	0.8
56.05026	0.9
57.03449	1.7
57.07085	1.2
60.04519	0.9
60.05655	1.2
66.48835	0.7
67.05513	6.1
68.05026	1.0
69.03437	1.6
69.07076	20.8
70.06595	4.7
70.07404	1.2
71.05006	2.0
71.08636	1.7
71.51773	1.2
72.08182	0.9
79.05497	7.2
80.05029	2.4
80.05808	0.9
81.03430	1.7
81.07065	12.5
82.06593	4.0
82.07394	3.0
83.04991	3.8
83.08637	1.9
84.04534	1.2
84.08149	6.2
85.02930	1.1
85.06553	1.3
91.01161	0.8
91.05479	8.1
93.07049	8.9
94.06583	2.9
94.07375	1.5
95.04978	2.9
95.08610	7.3
96.04509	2.6
96.08145	3.2
96.08940	2.4
97.06545	12.5
97.08950	1.8
97.10184	1.4
98.09702	3.6
99.08105	2.1
100.52766	0.8
105.03384	1.1
105.07050	8.0
106.06542	2.1
106.07288	1.0
107.04962	2.1
107.08621	5.6
107.48009	0.8
108.04483	3.1
108.08133	5.7
108.08854	1.2
109.06528	2.7
109.08911	2.3
109.10178	2.9
109.37930	0.9
110.06031	1.8
110.07169	1.5
110.09709	1.5
110.10490	1.3
111.08107	1.5
111.11706	1.0
112.03986	1.2
114.09199	0.9
115.05476	0.8
117.07045	7.3
119.04951	0.9
119.08595	7.6
120.08127	2.0
120.08906	1.5
121.02879	0.9
121.06529	4.2
121.10167	2.0
122.06056	2.5
122.09660	1.6
122.10494	1.1
123.04475	0.8
123.08093	2.8
123.11745	4.0
124.07603	1.9
124.12054	3.1
129.07031	2.0
131.07309	0.8
131.08586	3.1
133.06499	1.3
133.10121	2.7
134.06041	3.2
134.09642	8.7
134.10503	1.5
135.04408	0.8
135.06909	0.9
135.08058	3.6
135.11736	1.0
136.05179	1.1
136.07591	2.5
136.11205	4.8
136.12119	1.1
137.05977	1.1
138.09164	2.8
139.11156	1.4
141.07021	0.9
142.07674	0.8
143.07088	0.9
143.08557	1.6
144.08058	1.3
144.09109	0.8
145.06496	3.0
145.10150	2.7
147.06787	2.8
147.08087	4.2
147.11653	0.9
148.07587	3.1
148.11162	1.1
149.09616	1.5
149.13260	1.6
150.09174	3.4
151.07562	1.2
155.08525	1.2
157.10126	2.2
159.08076	2.4
159.11734	1.9
160.07581	1.1
161.09625	1.2
162.05573	1.5
162.09158	58.6
163.07559	7.6
163.09908	2.3
164.07063	1.0
164.08362	1.0
164.10721	3.3
165.09233	1.3
166.08624	4.7
167.08647	0.9
170.08102	1.9
173.06082	1.1
173.09677	3.4
174.09116	2.1
176.07019	0.8
176.10757	2.8
177.03362	1.1
178.08640	0.9
180.06578	2.1
180.13821	0.9
183.08115	0.8
183.45358	0.8
187.07556	1.2
187.11243	1.2
187.14885	1.7
190.08635	8.1
190.12263	3.0
191.06999	1.0
191.09387	1.6
192.10181	1.4
197.13229	1.2
200.10666	1.8
201.09164	2.6
202.08672	1.0
202.12296	1.1
204.06483	1.3
204.13867	1.7
204.17500	1.4
205.11063	1.1
208.09671	1.3
214.03343	1.8
214.15974	2.3
215.14345	4.8
216.17850	0.9
217.11119	2.4
218.11826	2.3
218.15421	2.5
224.14273	2.5
225.12709	1.1
226.07056	1.6
232.16998	14.8
233.15279	0.9
238.15923	3.6
242.15356	7.4
243.13840	15.7
244.16805	0.9
246.14935	0.8
260.16495	79.6
261.14810	7.2
270.14868	1.3
278.17551	19.3
288.12842	1.0
288.16000	20.0
295.15674	1.6
306.17026	100.0
306.24805	3.5
307.17349	1.0
309.12378	1.0
313.67459	1.4
324.10883	1.8
324.14429	1.6
324.19717	11.3
324.26102	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	323.9395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.8
56.05022	1.0
56.96557	1.6
61.72446	0.6
64.35417	0.6
67.05507	1.0
70.06580	1.2
70.96360	1.4
72.08156	1.3
78.09763	0.6
79.05469	0.7
83.76941	0.5
84.04501	1.3
84.08147	13.2
85.02892	0.6
85.08469	0.7
86.09688	0.9
91.05453	0.6
94.93009	1.3
95.04965	0.6
98.09682	4.9
98.97581	5.3
104.10740	1.4
112.89610	17.5
114.89342	2.3
116.98607	2.3
120.08079	1.2
126.12806	5.0
128.98576	0.8
129.10236	0.8
134.06003	0.8
136.07582	1.2
139.91457	2.7
144.13844	53.9
145.06396	0.6
145.07524	0.7
145.14203	4.4
147.04369	1.0
148.07568	1.0
158.15388	0.9
158.99702	0.8
159.67921	0.6
160.07581	2.0
161.03004	0.7
174.03098	0.7
177.00850	1.3
184.07515	0.8
188.07153	1.9
198.09129	0.8
204.10201	0.8
206.08003	0.6
210.07704	0.8
214.08655	0.9
218.87279	0.7
219.01984	1.8
222.94266	5.6
222.98834	100.0
223.97231	0.7
230.08078	0.9
234.42679	0.6
242.08138	1.0
247.91130	0.7
248.09131	1.0
248.89745	0.8
249.54320	0.7
249.90227	0.8
250.89479	0.9
259.16501	0.9
260.09387	1.2
260.89728	2.2
262.10898	0.8
266.10193	0.7
276.08643	1.3
278.00958	1.7
278.10251	1.5
283.01682	0.7
288.08841	1.1
294.09726	0.8
301.02591	1.6
306.09641	2.9
323.15897	1.0
324.04828	2.3
324.10770	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1806
Annotation	5-Hydroxy-9-methylstreptimidone
Peak:m/z	Relative Intensity
53.03948	0.9
55.01865	2.7
55.05518	2.8
56.05025	2.1
57.03429	0.8
65.03926	1.3
67.01859	1.6
67.05507	18.2
69.03411	2.6
69.06731	0.8
69.07069	8.6
70.06579	0.9
70.09732	1.7
77.17783	0.6
79.05077	0.9
79.05492	10.3
81.03413	2.3
81.07058	10.4
82.06581	1.1
83.04984	1.4
84.04469	1.2
84.08138	1.4
85.06528	0.7
86.09657	0.6
88.60003	0.6
91.05483	7.5
92.47505	0.5
93.07056	7.7
94.02922	1.0
94.07311	0.5
95.04974	15.4
95.08619	4.3
96.04475	1.3
97.02898	1.0
97.05919	1.2
97.06533	17.6
98.06022	0.8
98.09106	1.0
98.09695	13.1
103.05445	0.8
105.07021	3.6
106.06547	0.7
107.04966	3.2
107.08605	11.8
109.06511	11.8
109.10155	11.4
110.06022	2.3
110.09676	0.9
110.10442	0.7
111.03170	1.9
112.03945	2.0
115.05476	1.7
117.07008	7.3
119.06037	0.9
119.08589	5.5
120.08136	3.6
120.08826	0.6
121.02847	1.9
121.06499	10.2
123.04424	1.5
123.08071	2.4
123.11714	0.6
124.03957	2.5
124.07610	0.8
125.05988	0.7
125.09671	1.0
133.05197	1.3
133.06425	0.8
133.10164	0.8
134.09644	1.4
135.04408	1.0
135.08058	27.2
136.05191	4.6
136.07616	0.7
136.08821	2.7
137.09619	28.6
138.05522	4.3
138.09148	3.7
139.07466	0.6
145.06480	3.7
145.10104	1.4
147.08054	1.0
147.11688	0.6
148.07565	2.5
149.05965	0.8
150.09189	1.0
151.07518	3.3
152.10701	3.9
159.08047	0.9
162.09106	4.6
163.07547	34.2
164.08339	6.2
165.09117	5.0
166.05028	0.7
166.08640	28.3
173.06027	0.8
177.09085	0.9
180.10193	8.8
180.14227	0.7
181.08574	3.7
190.08620	3.7
191.07048	9.9
191.55806	0.5
208.09695	10.8
209.10374	0.6
215.14259	0.9
246.14957	1.1
248.16415	1.3
250.18019	1.2
260.16431	1.0
261.14844	7.5
278.17517	100.0
283.06082	0.6
306.17001	78.1
324.18164	6.6
324.21637	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.258
Annotation	5,13-Dihydroxygeranylgeraniol
Peak:m/z	Relative Intensity
53.03938	3.8
53.84766	1.8
55.01856	2.0
55.05513	17.6
56.66325	1.6
57.03421	7.7
57.07067	5.9
67.05506	24.7
68.05059	2.0
68.79903	1.6
69.03064	1.8
69.03419	5.4
69.06734	2.6
69.07072	37.6
70.06580	2.8
70.95958	3.2
71.04608	1.7
71.04995	24.2
79.05499	17.4
81.03416	3.5
81.06596	3.7
81.07055	64.0
82.07405	2.4
83.04967	6.3
83.08620	13.4
84.08148	2.3
85.02879	2.4
85.06544	100.0
87.08134	1.8
91.05477	17.9
93.07040	38.5
95.04971	4.2
95.08607	74.5
97.02865	2.8
97.06525	29.1
97.10149	6.5
98.97586	5.7
99.04509	2.2
99.08112	12.6
101.05992	2.7
105.07027	38.9
107.04950	2.5
107.08600	42.4
109.06485	4.8
109.10159	34.9
111.08071	11.0
111.11716	1.8
113.09608	2.6
117.07017	4.9
119.08581	66.0
121.06480	2.8
121.10138	30.2
123.08044	3.9
123.11681	14.8
125.05992	2.6
125.09653	8.1
127.03946	2.1
127.11175	6.8
129.09100	3.9
130.07826	3.0
131.08578	27.0
133.10129	35.3
135.08070	2.2
135.11681	22.3
137.09636	4.8
137.13295	4.0
139.11157	4.7
139.97670	1.9
143.08488	8.1
144.09309	1.7
145.10118	35.6
146.05965	2.4
147.11697	20.7
149.09627	3.2
149.13264	10.4
151.11166	4.9
153.12756	2.4
157.10155	8.2
158.10880	3.3
158.99658	2.2
159.11700	28.6
161.13248	27.8
162.09076	2.4
163.11235	2.4
163.14758	5.4
163.81143	1.8
165.12741	4.0
171.11687	5.1
173.13272	24.7
175.14850	9.9
177.12741	5.5
177.16391	3.3
179.08669	1.7
179.14352	9.5
185.13290	5.3
187.14812	29.7
189.16350	7.7
191.14249	2.7
192.10196	2.1
193.15836	7.1
194.15466	2.5
199.14763	6.5
201.14624	3.4
201.16386	48.4
203.14330	10.0
203.17870	2.5
205.15924	15.3
207.17227	1.8
211.16878	2.8
213.16360	5.3
215.17889	5.0
217.19615	4.0
219.17447	15.1
227.18044	3.4
229.19505	5.2
231.17369	3.0
235.20480	2.7
243.13789	1.8
243.21017	2.5
247.20665	4.2
249.18443	2.0
259.24048	1.8
260.16418	5.9
269.22629	10.2
278.17606	2.7
287.23663	23.2
305.24789	21.6
306.16983	6.5
323.19629	2.2
323.25891	14.1
334.52164	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2583
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
50.48658	1.3
53.03947	4.8
55.01870	3.1
55.05267	2.1
55.05514	24.4
57.03437	6.8
57.07085	7.5
59.05005	8.6
65.03953	1.4
67.05509	35.6
68.05030	1.6
69.03438	12.2
69.07070	61.5
70.06598	5.9
70.56798	3.3
71.01357	3.1
71.04996	31.1
71.08616	2.1
72.02660	1.6
77.10695	1.4
79.05496	41.9
81.03439	2.4
81.07057	98.4
83.04973	11.2
83.08624	16.3
84.08144	3.8
85.02960	1.5
85.06536	9.2
91.05481	20.7
93.07047	100.0
95.04963	12.8
95.05387	1.2
95.08612	84.4
97.06519	15.7
97.10165	7.2
99.08142	1.6
101.06055	3.8
105.07024	27.6
107.04992	2.4
107.08597	62.4
109.06516	9.7
109.10159	62.0
110.06068	1.8
111.04499	1.7
111.08084	10.1
111.11716	11.5
112.11228	1.8
113.06007	2.0
113.09650	1.6
117.07047	3.6
119.08575	25.3
121.06517	6.2
121.10148	93.0
123.08080	8.1
123.11706	29.4
125.06032	7.3
125.09657	7.8
127.11223	1.6
129.07018	1.7
129.09123	1.6
130.07759	2.1
130.39995	1.6
131.08585	7.4
133.10138	19.3
135.08150	2.9
135.10109	2.2
135.11696	43.2
136.07599	6.8
137.05957	2.2
137.09619	10.4
137.13293	8.2
139.07616	2.0
139.11208	17.7
143.08623	1.9
145.10129	16.2
146.06094	3.1
147.04405	2.3
147.11679	11.2
149.09659	4.7
149.13208	9.2
150.05515	1.4
151.11205	10.5
153.12743	14.1
155.10712	3.6
157.10143	2.5
159.11734	6.3
161.09669	2.4
161.13303	4.6
162.05621	1.8
163.11191	25.2
163.14906	3.8
165.12831	5.1
167.10660	16.1
167.14359	4.0
169.10321	1.5
169.12263	2.1
171.11807	1.9
173.13335	4.3
175.14890	4.5
177.16414	3.0
181.12247	21.4
187.14886	2.4
189.16460	3.9
193.15950	3.5
194.11810	1.7
195.13782	1.8
201.16338	2.8
203.18025	3.2
205.16014	1.9
209.15747	1.5
210.14946	1.9
213.16458	3.5
217.19623	3.1
229.19635	2.4
231.17390	1.9
231.21423	2.4
259.24243	2.3
269.22906	4.2
278.17596	4.9
287.23657	9.7
293.24982	2.4
305.24808	24.6
306.17133	3.0
323.13162	2.1
323.18530	2.2
323.22922	5.4
323.25995	64.5
324.26208	1.8
335.50479	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	323.2584
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
55.01880	4.2
55.05516	25.5
56.05032	1.8
57.03434	6.9
57.07082	9.3
57.37722	2.0
58.89636	2.2
59.05004	2.2
62.45376	1.7
65.03944	2.8
67.05509	47.8
69.03425	6.4
69.07076	48.4
70.06587	5.8
71.04995	7.9
71.08668	1.9
73.06564	5.3
79.05498	24.5
81.03424	2.0
81.07066	100.0
83.04985	5.7
83.08625	19.0
84.04527	2.9
84.08146	5.5
85.02927	2.4
85.06551	18.5
86.09753	1.8
91.05488	16.0
93.07053	41.9
94.07433	2.7
95.04982	16.6
95.08615	66.2
97.06541	22.3
97.10176	17.8
98.21630	3.5
99.08085	8.0
101.06014	4.5
105.07038	29.9
107.04949	2.8
107.08608	46.5
109.06531	10.1
109.10169	89.2
110.10485	2.3
111.08103	10.9
111.11731	6.1
113.01727	1.9
113.06001	2.7
115.03866	2.7
117.06994	5.5
119.08591	22.3
120.08075	2.6
121.06511	6.0
121.10160	35.6
123.08092	7.9
123.11712	30.7
125.05983	4.9
125.09653	8.5
127.11216	3.8
129.09116	4.1
131.08615	9.0
133.06467	3.4
133.10138	18.9
134.06042	2.8
135.08057	4.1
135.11711	23.1
137.09619	7.8
137.13272	11.0
139.11188	8.3
143.08536	3.9
145.10191	10.5
146.06024	3.5
147.08041	3.2
147.11729	12.5
149.13281	18.3
151.11197	6.8
151.14830	4.4
153.09151	1.8
153.12753	4.5
155.10681	7.9
157.10106	4.9
159.11670	9.4
161.13271	14.8
163.11221	3.5
163.14809	5.3
165.12801	4.5
167.10751	3.2
167.14417	4.5
171.11708	2.4
173.13261	6.1
175.14845	7.1
176.10690	3.2
176.97028	2.6
177.12743	1.8
177.16440	4.3
179.14360	8.7
181.12222	4.1
185.13310	2.2
187.14857	7.1
189.16469	4.5
191.18008	4.1
193.12349	2.4
195.13834	4.9
198.56401	2.0
199.14848	2.1
201.16454	2.8
203.17938	2.7
205.15916	4.8
207.17432	2.5
213.16402	3.9
214.40796	2.0
215.17963	2.6
217.19495	3.2
223.16963	5.0
235.20590	2.8
241.17957	3.9
243.21167	2.9
247.20682	2.4
249.18564	3.0
251.20175	4.3
262.60880	2.0
269.22595	2.9
277.25317	2.0
287.12817	3.2
287.23676	9.4
305.24774	45.0
323.19666	4.9
323.22699	2.0
323.25922	32.6
324.19421	3.2
324.86737	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.6
56.96566	0.7
67.05489	1.2
69.07528	0.4
71.50764	0.5
84.08144	12.6
85.82720	0.5
98.09692	0.5
98.97552	0.6
108.82131	0.5
120.78438	0.4
126.12792	9.0
134.84344	0.5
144.13837	100.0
145.14159	0.8
186.67932	0.5
259.16745	0.5
302.35965	0.4
307.62811	0.5
323.12326	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	323.2581
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
55.05509	27.3
57.07062	16.5
67.05511	41.4
69.06734	6.3
69.07076	70.7
70.06599	6.9
70.49350	14.5
71.04974	14.7
77.39159	4.1
79.05497	39.2
81.07059	100.0
83.04970	10.1
83.08613	25.5
84.08165	9.1
85.06533	25.2
86.09692	5.2
89.28938	4.2
91.05480	45.2
93.07045	82.4
95.04977	11.1
95.08614	100.0
97.06522	30.2
97.10187	5.3
99.04440	8.1
99.08055	7.9
101.42542	4.7
105.07037	92.9
107.08595	68.3
109.06512	9.5
109.10171	57.7
113.09687	4.6
117.07028	25.6
119.08585	72.0
121.06449	7.1
121.10149	59.1
123.08057	13.5
123.11708	25.1
125.09607	15.8
127.03924	5.9
129.06978	12.9
130.07739	5.9
131.08578	47.0
133.10141	59.5
135.08049	6.6
135.11703	30.6
136.29066	4.6
137.09590	16.3
137.13208	5.9
137.39781	4.2
139.11179	7.6
142.07713	5.8
143.08572	17.0
144.09273	6.6
145.10130	58.0
146.06021	8.1
147.07990	7.5
147.11713	60.7
149.09645	7.2
149.13251	15.5
155.08420	5.2
155.74446	4.5
157.10091	21.4
159.11700	61.4
161.13283	39.4
163.11119	10.0
163.14763	9.3
165.12708	5.5
169.10207	4.6
171.11691	20.4
173.13277	42.1
175.14804	8.3
177.12779	4.8
177.16360	7.5
179.14372	7.8
185.13257	17.2
187.14857	33.0
191.14299	7.1
197.13243	5.4
199.14783	12.2
201.16383	17.2
203.14427	5.7
203.18005	16.6
205.15932	7.3
213.16365	13.7
217.15773	6.0
217.19586	6.2
227.17961	11.4
229.19569	34.1
231.17368	7.7
241.19568	7.1
243.21115	24.5
247.20557	11.7
259.50125	5.0
261.22287	8.9
269.22614	20.2
287.23743	26.6
305.21506	7.5
305.24771	18.5
323.22205	8.9
323.25650	12.6
328.76785	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11948	0.9
55.01863	3.5
55.05270	1.5
55.05514	19.5
57.03435	1.8
62.06093	17.0
65.39249	0.9
67.05179	1.4
67.05507	14.4
69.03419	4.2
69.07076	12.3
69.07446	1.8
71.04980	1.5
79.05497	12.1
81.03420	2.7
81.07050	14.2
83.04992	2.0
83.08628	9.2
84.06606	1.1
85.06535	1.1
91.05473	6.8
93.07053	11.7
94.35838	1.1
95.04965	5.1
95.08614	8.4
97.02892	4.5
97.06532	1.1
97.10178	16.2
105.07040	7.5
107.04956	4.0
107.08601	9.8
109.10135	4.3
111.08091	1.8
117.07014	3.6
119.04968	1.1
119.08559	5.8
120.73083	1.1
121.06499	2.6
121.10125	3.9
123.08073	4.7
123.11735	1.0
124.02254	1.0
125.09643	13.9
129.07021	1.2
131.08566	4.0
133.10095	3.4
135.08051	3.3
137.09520	1.4
143.08575	2.5
145.10101	2.7
147.08023	3.6
147.11639	2.5
149.09628	1.6
153.09082	1.8
157.10098	1.3
157.12216	1.4
159.11739	2.5
161.09662	1.1
165.09122	2.0
171.11803	1.5
172.99471	1.2
175.11211	2.4
176.19585	1.5
203.12839	6.7
223.13240	10.8
237.14842	1.4
242.48381	1.1
249.14838	1.4
255.17491	1.1
273.18582	7.4
291.19553	100.0
292.19812	1.2
297.40677	0.9
305.21152	18.4
323.22174	3.8
323.27728	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	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88364	1.8
53.03957	1.9
55.01871	5.4
55.05510	8.1
57.03440	28.9
57.07077	1.8
58.91727	1.7
67.05511	30.3
69.07066	7.8
70.06579	2.2
71.04990	5.5
71.51719	2.6
79.05502	17.9
81.07067	26.9
83.04978	4.1
83.08620	3.2
85.06551	32.4
91.05489	11.1
93.07053	18.6
95.04976	41.9
95.08623	15.9
97.06517	4.4
97.10158	4.5
98.97598	1.9
99.08085	2.5
105.07033	11.6
107.04967	4.2
107.08608	12.5
109.06537	33.7
109.10176	8.4
111.04448	3.3
111.08073	2.4
113.06012	100.0
115.05466	1.8
117.07020	6.7
119.08582	8.8
121.06535	3.0
121.10179	6.9
123.08073	3.4
123.11692	3.5
129.07013	4.3
131.08575	8.9
133.06482	3.5
133.10147	7.1
135.08060	27.1
135.11723	5.9
137.09653	2.2
143.08556	5.9
145.10129	5.3
146.06015	2.7
147.08072	2.9
147.11702	2.6
149.09656	3.3
149.13431	2.3
151.11209	2.3
152.79404	1.9
157.10168	6.2
159.08047	2.2
159.11720	3.3
161.09656	6.9
161.13335	2.7
163.11182	5.7
165.09058	2.0
165.12759	1.9
169.10211	1.8
171.11748	2.9
175.11273	2.1
177.12799	1.8
181.10289	1.9
181.12244	3.0
183.11722	2.5
185.13268	2.8
199.14883	2.0
217.15874	9.3
255.17494	2.8
273.18491	20.5
291.19577	52.2
305.21234	7.8
314.90152	1.8
323.19836	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80942	1.3
56.96552	6.9
56.96803	1.7
70.78729	1.7
70.79057	2.0
71.95265	2.4
79.97585	1.5
98.97590	100.0
108.10647	1.4
116.98631	32.3
134.99643	6.4
178.01100	2.7
202.01093	2.5
219.02051	4.4
220.02112	27.1
240.98769	6.2
258.99777	63.3
260.00037	1.9
261.03012	2.8
276.97842	3.2
277.00839	53.4
278.01114	2.0
281.10492	1.8
291.01950	2.0
299.97650	14.4
300.00861	1.5
300.02386	1.5
300.97406	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	323.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.05512	2.0
56.05022	0.9
57.03436	2.6
57.05790	0.3
65.03934	0.7
67.01877	0.2
69.03432	2.4
69.07058	0.4
69.63138	0.2
70.06595	3.9
71.51446	0.4
72.08155	14.1
73.08488	0.6
74.06071	0.8
75.04482	3.8
76.89818	0.2
79.05522	0.2
83.01318	0.7
84.04496	1.4
84.08143	8.4
85.02894	2.2
85.08464	0.4
86.09711	3.2
87.05585	0.2
88.03994	0.4
91.05482	10.2
92.05823	0.2
93.07075	0.3
94.06523	0.3
95.01331	5.6
96.04460	0.4
97.02882	0.7
98.06067	0.3
101.10796	0.2
103.03949	1.2
110.06046	0.2
110.07155	0.6
111.00801	5.2
112.08702	0.3
113.02345	0.3
115.08659	0.3
119.04941	26.7
120.04510	0.2
120.08092	0.5
121.06487	0.4
128.10672	0.3
129.01834	7.4
129.10237	6.3
130.05008	0.2
130.06541	0.2
130.08620	0.2
130.10626	0.4
131.03410	0.5
134.06015	0.4
135.06427	0.3
136.07568	0.6
141.01840	0.9
143.11797	2.0
146.06010	1.0
147.04408	100.0
148.04759	0.5
154.07576	0.3
158.06042	0.4
159.02863	0.9
164.07050	0.4
165.05472	4.7
165.07022	0.2
165.07501	0.3
171.11296	0.4
173.12875	1.4
174.05580	0.4
177.05424	0.3
183.57372	0.2
204.10017	0.2
210.07608	0.2
219.06548	0.6
228.17184	0.7
244.16498	0.6
277.07312	0.3
280.03253	0.2
305.11072	0.2
305.14313	1.5
305.18054	0.2
323.07623	20.1
323.11258	2.3
323.15933	0.5
323.19226	0.4
339.20132	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19675	1.8
53.03938	8.9
55.01880	9.8
55.05503	4.1
65.85300	2.0
67.05505	17.8
69.03414	10.3
69.07060	6.4
70.06583	3.0
71.05011	2.2
71.12466	2.8
71.12801	4.7
77.03903	2.2
79.05495	12.6
81.03444	3.4
81.07068	13.6
83.05003	2.9
83.08634	2.6
84.08153	3.6
91.05490	27.9
93.07050	83.3
94.06529	2.4
95.04984	10.0
95.08619	11.3
97.02887	6.5
97.10186	2.1
98.06043	6.8
99.04469	19.2
99.72903	2.3
103.05476	4.7
105.04504	3.0
105.07033	12.2
107.04951	5.1
107.08591	8.2
109.06477	3.4
109.10162	4.2
111.04434	3.9
117.07033	8.7
119.08618	13.8
121.06513	35.4
121.10140	5.5
123.04446	38.2
123.08059	3.6
123.11687	2.2
127.03927	100.0
128.06300	2.3
129.06978	5.6
131.08582	9.9
133.06500	3.6
133.10127	7.7
135.08115	2.2
135.11690	8.5
137.06006	4.2
137.09587	2.3
143.08568	6.9
145.10127	12.0
146.06017	3.2
147.08038	8.6
149.04919	2.9
149.05998	23.8
149.09615	3.8
153.05521	3.6
154.05827	2.7
157.06384	2.2
157.10149	5.6
158.10965	2.8
159.08119	3.1
161.05959	2.4
161.09671	3.7
163.11154	15.0
167.08461	2.8
171.08087	4.0
171.11711	2.3
175.07602	20.4
181.10178	3.7
187.07552	7.7
189.09106	6.0
199.07573	4.1
199.29288	2.3
209.13289	9.7
227.12787	8.6
237.12750	8.5
241.84871	2.1
245.15477	2.8
255.13832	32.2
273.14859	43.5
287.16321	2.4
291.19626	2.8
305.21027	4.2
323.14706	2.5
323.18143	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	323.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96140	1.1
56.96566	38.9
69.49468	1.2
70.03197	4.7
70.98121	14.5
71.95245	3.1
72.96033	1.5
74.97596	4.9
84.08132	3.5
84.96019	4.0
86.97598	1.8
88.99141	3.6
97.02816	1.3
98.21460	1.8
98.97585	100.0
101.95033	6.2
105.56304	1.1
110.97553	5.3
112.89607	6.5
112.99112	3.8
114.97061	5.8
115.00662	2.0
116.98628	42.9
116.99459	2.3
118.35693	1.1
119.01858	2.1
119.96014	1.7
121.01678	1.5
121.10752	1.3
124.90743	1.1
124.95485	8.4
124.99092	1.7
126.97002	2.1
128.98616	7.8
131.00157	3.8
132.98090	12.7
133.01695	2.1
134.99666	15.5
140.00198	2.3
142.96538	7.0
143.00200	2.0
143.01892	1.9
144.98059	2.0
145.01685	1.7
146.05978	6.8
146.99669	7.7
147.04399	1.9
149.01221	3.6
150.99171	14.6
152.94925	3.0
158.01285	2.2
158.05994	2.4
158.99657	16.6
160.97610	2.8
161.01239	1.9
161.02902	3.1
162.99150	1.4
165.00725	4.4
169.00220	3.2
170.96024	10.6
170.99640	4.5
172.97601	2.8
173.01210	1.5
174.97804	1.7
174.99167	10.3
177.00734	12.3
184.97571	6.6
186.99117	2.2
188.97078	24.8
189.00745	8.3
190.98628	2.2
191.02357	2.9
193.00212	26.1
202.98637	15.6
203.02206	1.1
203.03992	1.5
206.98126	8.8
207.01775	2.9
208.99750	1.2
211.01341	2.4
212.97040	3.6
217.00192	4.0
219.01733	2.6
220.99706	17.1
221.03214	2.0
230.98128	23.6
231.13376	1.2
232.99780	2.0
233.05051	1.3
235.01227	4.2
237.02798	2.5
239.00781	7.0
244.99713	16.5
248.89542	1.6
248.99117	7.6
253.02174	1.5
262.98083	2.4
263.00748	34.4
281.01831	23.7
281.04916	1.2
282.01343	15.4
286.02289	2.3
299.02789	7.0
300.02359	15.3
305.01743	4.4
323.03210	2.3
323.12424	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	322.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.05520	5.2
56.05040	1.4
60.04511	0.9
60.05648	1.1
64.66715	0.5
66.50086	0.7
67.05521	1.3
69.07072	1.9
70.06594	11.4
71.04994	0.9
72.08161	89.1
79.65575	0.6
82.06580	0.7
84.04528	2.2
84.08157	7.3
86.06095	0.8
86.09711	10.1
88.04001	0.8
91.05505	2.1
93.07039	1.7
96.04484	0.6
96.08135	1.0
97.02895	0.6
98.06057	1.1
98.09700	12.4
100.35321	0.5
103.05477	1.9
105.07039	1.0
107.04974	1.7
107.08585	0.7
108.04536	0.6
110.07172	2.1
112.08718	1.0
114.05556	1.0
116.07147	0.8
119.04891	1.2
119.08596	1.1
120.08115	66.2
121.06538	0.8
121.08419	0.9
128.10797	0.7
129.01917	0.7
129.10251	100.0
130.05029	1.2
130.06509	0.6
134.06055	1.0
136.07576	1.7
137.05998	0.7
137.09641	1.1
140.14349	4.9
147.04425	2.7
149.06020	1.6
157.09740	27.8
158.15433	1.2
166.08647	39.5
175.11961	1.1
176.10736	1.4
191.08533	1.2
192.08777	0.9
229.06230	0.7
262.07059	0.9
264.15927	1.2
304.08218	0.7
304.11169	0.9
304.19095	2.1
322.09097	1.3
322.13132	2.0
322.20358	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	322.2016
Annotation	Croomine
Peak:m/z	Relative Intensity
53.03966	0.4
55.01884	0.5
55.05515	4.5
56.05033	1.7
57.03437	0.5
57.05809	0.4
57.09926	0.3
58.06598	0.8
59.05005	0.3
60.04517	0.6
60.05654	1.5
67.05512	7.3
69.03439	0.4
69.07069	2.2
70.06598	20.2
70.56252	0.4
71.04991	0.5
71.06929	0.4
71.51884	0.4
72.08162	32.8
72.22160	0.3
74.06092	0.5
79.05491	0.4
80.05012	0.4
81.07057	1.9
82.06563	0.4
83.04991	0.8
84.04517	1.9
84.08150	10.6
85.02908	0.8
86.09712	7.9
86.10240	0.3
88.03999	0.7
91.05488	1.6
93.07019	0.4
94.06539	0.5
95.04970	1.5
95.06073	0.5
96.04523	0.6
96.08144	1.5
97.02937	0.6
97.08905	0.5
98.06063	0.7
98.09701	100.0
99.10023	0.4
102.05546	0.4
105.07024	0.5
107.04945	0.5
109.10155	2.4
110.06017	0.4
110.07183	1.6
111.00845	0.4
111.10478	1.4
112.08763	1.2
112.11252	1.3
115.08682	0.6
116.07072	0.6
119.04962	2.7
119.08552	0.4
120.08115	16.1
121.02887	0.7
121.06490	0.5
122.06026	0.4
123.04444	5.0
125.09653	0.5
126.12749	0.8
129.01877	0.8
129.06871	0.3
129.10263	3.7
130.05019	0.7
130.06496	0.5
130.10556	0.4
131.04947	0.4
131.12862	0.4
132.10213	0.4
134.06076	0.4
136.07634	0.8
137.06042	0.4
137.08064	0.3
138.12811	2.0
140.08208	0.6
140.14351	37.5
141.60878	0.4
143.11824	0.4
145.06512	0.4
146.06029	0.9
147.04424	18.0
149.06035	0.4
150.05511	0.3
157.09729	4.0
157.10806	0.5
158.15414	14.1
160.07654	0.5
162.05542	0.4
164.07104	0.7
165.05414	0.7
166.08649	9.6
172.07506	0.4
175.11926	1.9
177.10199	1.9
182.08139	0.9
200.16502	1.5
201.10237	0.4
202.16121	0.4
216.06566	0.6
223.10806	6.6
230.08150	0.6
255.22473	0.4
262.07065	2.9
263.14014	0.5
276.08749	1.2
277.15317	0.4
290.10345	0.6
304.08130	1.1
304.11542	0.7
304.19086	20.2
305.15979	0.6
305.19287	0.4
322.09213	3.9
322.13007	1.5
322.20175	66.3
323.20419	0.7
325.42813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2424
Annotation	(S)-12-Hydroxygeranylgeranic acid
Peak:m/z	Relative Intensity
53.03951	3.7
55.01876	13.0
55.05515	34.8
57.03448	3.6
57.07080	7.1
57.78574	2.9
59.05006	3.3
64.34196	2.5
67.05506	44.2
67.89722	2.4
69.03436	13.1
69.07070	88.4
70.06584	5.1
70.99181	6.3
71.01293	2.7
71.04999	9.3
79.05498	27.7
81.07058	100.0
83.04992	6.1
83.08619	47.6
84.08136	5.3
85.02892	4.1
85.06544	28.0
91.05479	17.1
93.07050	62.9
95.04966	10.7
95.08614	89.9
97.06547	17.5
97.07085	2.5
97.10178	7.9
99.04463	5.1
99.08095	3.7
105.07034	44.7
107.08598	65.6
109.06523	33.0
109.10165	78.4
111.08077	29.6
111.11705	6.2
113.09681	5.0
117.07065	6.7
119.08572	38.2
121.06499	8.1
121.10155	48.0
122.28841	2.6
123.08076	12.0
123.11713	42.0
125.05974	3.4
125.09615	4.1
125.28268	2.6
127.07587	4.1
129.22459	2.9
131.08568	13.1
133.10135	20.4
135.08096	18.1
135.11691	49.3
137.09619	23.0
137.13272	9.0
139.07556	5.1
139.11185	7.5
143.08563	3.8
144.56702	2.7
145.10083	18.4
147.08046	4.0
147.11708	28.8
149.09602	6.1
149.12250	3.0
149.13231	18.8
151.11176	9.8
151.14789	3.2
153.09157	4.4
153.12753	7.0
157.10138	7.9
159.11700	15.5
161.09694	4.9
161.13283	11.4
163.11172	4.7
163.14819	12.2
165.09099	6.2
165.12752	11.4
167.10716	4.6
171.11670	5.0
173.09691	3.3
173.13257	10.7
175.11168	4.4
175.14801	16.3
177.12782	5.6
177.16403	6.0
179.10661	3.4
181.12265	3.6
185.13297	3.1
187.14841	11.4
189.16449	6.0
191.14311	15.8
191.17918	6.1
193.12230	13.3
193.15895	25.2
201.12753	3.3
201.16380	9.1
203.17998	3.5
217.19633	4.3
219.17459	4.7
227.17920	3.8
229.19444	3.2
235.16922	4.8
243.21121	7.1
245.19011	7.3
247.16855	6.6
253.18097	5.3
257.22693	11.1
261.22208	6.1
267.21033	3.9
275.23740	13.1
279.23264	8.6
285.22055	14.1
303.23193	59.7
321.17911	3.8
321.24271	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2428
Annotation	11,12-EET
Peak:m/z	Relative Intensity
53.03955	2.6
55.05513	16.2
55.61463	1.5
57.07081	7.7
59.04995	5.1
67.05513	34.0
68.99792	4.2
69.03436	27.5
69.07073	100.0
69.75417	1.4
70.05224	6.2
70.06595	2.0
71.04996	18.0
71.08634	2.3
74.76332	1.6
79.05491	12.9
81.07063	78.6
83.04964	2.9
83.08614	8.0
85.02919	2.2
85.06542	6.3
87.00824	4.7
91.05475	10.6
93.07050	36.3
95.04982	11.7
95.08614	40.4
97.06533	7.7
97.10179	6.4
98.20843	2.6
105.07039	27.4
107.04939	2.0
107.08605	48.5
109.06515	9.6
109.10166	94.8
111.08080	3.9
111.11734	18.6
113.02478	1.8
113.06057	3.9
116.12400	1.4
117.07094	2.0
118.71262	1.5
119.08572	18.6
121.06521	4.6
121.10148	23.4
123.04456	1.9
123.08079	5.8
123.11717	60.1
125.09675	3.9
127.07583	1.7
131.08562	6.2
133.10143	23.0
133.30402	1.5
135.08089	6.7
135.11700	24.8
137.05981	3.3
137.09622	8.0
137.13303	4.3
139.11220	10.9
143.08560	5.0
145.06520	2.6
145.10144	6.9
147.08025	2.8
147.11662	10.4
149.09650	4.3
149.13277	6.9
151.11195	52.0
153.12758	6.9
155.08578	2.0
155.10652	1.6
159.11728	6.8
161.05937	1.7
161.09647	9.7
161.13310	4.4
163.11209	6.1
163.15001	1.8
165.09113	5.7
165.12737	8.4
167.10727	2.8
173.13289	6.8
175.11168	2.0
175.14810	8.1
177.09219	1.9
179.10693	57.6
181.12225	13.2
187.14865	2.2
189.16415	2.1
190.05084	1.6
191.14499	1.9
193.12262	13.6
193.15892	3.1
197.11784	3.9
199.14850	2.1
201.16399	3.1
203.18054	2.0
205.15961	1.8
207.13788	1.8
207.15759	2.0
215.18025	2.5
219.13875	2.0
219.17426	1.9
221.15414	2.7
225.16443	2.1
230.48422	1.8
237.14972	2.7
243.21216	3.8
247.16908	2.9
257.22711	7.0
261.22113	2.6
267.20853	1.6
271.13260	2.3
275.23718	11.3
285.22171	9.2
293.24591	2.1
303.23187	36.7
321.18192	5.7
321.24170	38.0
321.27621	2.7
341.69431	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	321.2424
Annotation	(S)-12-Hydroxygeranylgeranic acid
Peak:m/z	Relative Intensity
53.03944	4.1
55.01866	10.8
55.05511	33.6
57.07066	7.5
58.21674	2.6
59.04988	4.0
65.03938	3.1
67.05173	3.8
67.05505	37.9
67.83160	2.7
69.03439	12.1
69.07072	89.2
69.79464	13.1
70.06576	2.6
71.04991	8.8
79.05489	22.8
81.07057	100.0
83.04972	4.2
83.08624	43.0
85.02903	3.5
85.06543	18.0
91.05478	15.7
93.07044	49.7
95.04965	9.9
95.08609	81.6
97.02914	2.5
97.06545	14.1
97.10161	7.6
98.21497	4.1
105.07053	34.0
105.07713	4.3
107.08607	56.5
109.06519	29.3
109.10162	67.1
111.08075	26.0
111.11716	5.8
112.12448	2.2
113.09600	3.1
119.08591	37.8
121.06530	5.9
121.10157	41.5
123.08048	6.1
123.11703	47.6
125.09638	8.2
127.07551	6.5
127.39717	2.5
129.09181	2.5
131.08578	6.5
133.10136	22.8
135.08090	15.6
135.11700	46.0
137.09615	20.5
137.13246	11.5
139.07498	4.1
139.11209	3.7
145.10149	18.6
147.11693	28.4
149.09608	5.8
149.13257	25.0
151.11157	5.3
153.12729	8.1
157.10078	3.3
159.11685	12.2
161.09694	3.4
161.13243	14.0
163.11142	4.3
163.14821	10.0
165.12732	7.6
167.10660	3.1
171.11702	4.3
173.13255	12.8
175.11115	3.2
175.14789	13.7
177.12752	5.9
177.16374	3.5
179.10596	3.2
179.14331	2.8
185.13280	2.7
187.14847	11.0
189.16396	4.8
189.42456	2.3
191.14360	14.3
191.17966	6.7
193.12234	19.6
193.15863	19.9
199.14853	2.9
201.16383	7.3
203.18036	3.3
205.15802	4.0
209.15506	2.3
219.17520	3.6
226.32605	2.8
227.17979	4.5
229.15932	3.7
235.16914	3.5
243.21086	7.4
245.19107	3.2
247.17061	5.2
253.17935	6.5
257.22742	9.7
261.22113	5.2
267.21082	5.4
275.23703	13.1
279.23181	6.8
282.91092	2.6
285.22159	13.5
301.46719	2.6
303.23178	63.4
303.26398	4.4
321.17383	3.4
321.20779	3.8
321.24249	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2424
Annotation	11,12-EET
Peak:m/z	Relative Intensity
53.03942	2.0
55.05509	13.3
57.07067	3.2
59.04996	3.8
65.03940	1.9
67.05508	35.7
68.99788	6.9
69.03091	1.9
69.03437	31.9
69.07071	81.7
70.58038	1.3
70.63501	2.9
70.63828	1.8
71.04989	13.6
73.06538	1.3
79.05501	12.2
81.03416	1.7
81.07060	80.7
83.05001	2.5
83.08650	7.6
84.08151	3.6
85.06532	4.2
87.00819	5.4
91.05474	12.0
93.07049	37.4
95.04982	11.0
95.08614	38.9
97.06525	4.5
97.10183	2.8
98.06067	1.6
98.09705	1.6
105.07034	21.9
105.64815	1.4
107.05009	1.5
107.08598	49.1
109.06516	11.1
109.10161	100.0
111.08052	2.5
111.11722	13.8
113.05986	4.0
113.09677	2.3
117.07011	3.3
119.08585	19.4
121.06502	6.0
121.10153	18.9
123.04395	3.1
123.08070	5.7
123.11713	68.3
125.06030	1.6
125.09628	2.3
127.03852	1.4
129.10170	1.4
131.08556	5.8
133.10126	26.5
135.08040	7.4
135.11690	30.2
137.09659	7.8
137.13249	4.3
139.11192	4.3
143.08557	5.9
145.10106	6.3
147.11670	12.7
149.09618	4.1
149.13248	7.7
151.03954	1.3
151.11189	75.1
153.12740	9.1
159.11693	4.2
161.09656	11.7
161.13255	4.4
163.11160	5.2
163.14774	2.7
163.45459	1.3
165.09113	3.4
165.12766	3.8
167.10646	4.7
169.10147	1.5
171.11655	1.9
173.13249	4.0
175.11194	3.1
175.14816	5.0
177.09026	1.7
177.12724	2.5
179.10675	76.7
181.12239	21.6
187.14888	2.5
189.12868	1.6
189.16394	2.0
191.14273	3.2
193.12262	19.0
193.15884	3.6
195.13808	1.8
197.11742	6.1
199.14743	1.9
201.16400	4.6
203.17955	3.3
205.15851	1.9
207.13834	1.9
211.13219	1.8
219.17557	1.7
221.15358	2.6
227.18036	2.3
243.21017	4.5
257.22626	4.6
261.22128	2.8
267.21167	1.8
275.23724	8.4
285.22168	11.2
303.23169	48.0
321.18320	1.9
321.24304	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	321.2427
Annotation	11S,12R-EpETrE
Peak:m/z	Relative Intensity
53.03945	3.0
55.05515	23.9
57.03415	2.8
57.07077	5.3
59.05016	3.8
65.03940	2.7
67.05511	52.6
69.03439	7.2
69.07075	38.4
70.06582	9.9
70.08959	3.8
70.09341	5.0
71.04991	11.8
79.05497	23.4
81.07057	81.8
83.04983	18.8
83.08630	15.5
84.08147	6.5
85.06543	8.0
86.50024	2.2
91.05485	23.7
93.07053	56.6
95.04983	12.1
95.08617	64.9
97.02903	2.3
97.06544	26.8
97.10181	14.2
99.04422	2.8
99.08086	3.4
105.07045	47.0
105.09314	2.4
107.04971	3.2
107.08601	52.2
109.06536	12.8
109.10161	100.0
110.10422	2.0
111.08083	8.7
113.06017	3.0
115.05526	2.1
117.07028	5.7
119.08585	52.5
119.84167	2.3
121.06496	8.1
121.10152	37.3
123.08065	20.3
123.11713	14.3
125.05989	4.9
125.09615	8.0
127.07565	18.1
129.07045	4.2
129.09142	3.0
131.08606	17.5
133.10152	37.2
135.08057	3.3
135.11694	19.8
137.07022	3.0
137.09633	25.0
137.13278	6.9
139.07536	2.5
139.11205	6.6
141.09106	4.8
142.07709	2.1
143.08577	8.8
143.10683	2.7
144.08099	2.6
145.10159	18.3
147.08072	7.7
147.11696	21.7
149.09633	7.7
149.13269	9.0
151.07538	23.1
151.11211	6.7
153.09142	2.4
155.08609	3.3
155.10667	10.0
156.09372	3.6
157.10141	8.8
159.08041	3.0
159.11691	26.7
161.09589	5.0
161.13274	26.2
163.11206	6.7
163.14845	4.4
165.09131	38.5
165.12773	5.4
167.10718	2.6
169.10121	3.8
170.10956	2.2
171.11684	6.1
173.13286	15.3
175.11089	5.3
175.14830	11.6
177.12764	7.2
179.10617	2.6
179.14336	8.3
183.10173	2.9
185.13268	12.0
187.14827	9.5
189.12886	10.2
189.16432	4.7
191.14207	3.8
193.15886	7.0
199.14847	2.9
201.12735	3.7
201.16399	4.8
203.14305	14.8
207.13809	21.2
210.11098	2.6
211.14922	3.8
213.16472	3.3
215.17978	5.6
217.15948	3.2
221.15430	10.7
225.16423	3.0
229.16013	3.7
229.19629	5.6
233.15184	2.7
233.18962	3.3
247.13388	2.4
247.16898	2.4
257.22708	3.3
261.22260	2.5
267.21011	5.4
275.23572	3.0
285.22067	8.6
303.23184	27.4
321.20651	10.9
321.24350	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	321.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13573	3.3
55.01872	4.4
55.05509	26.5
56.96560	5.2
57.03424	4.5
57.07069	5.1
65.03929	4.5
67.05511	40.6
69.03416	9.4
69.07061	26.4
70.06588	8.0
71.01347	4.8
71.05000	6.3
71.41369	5.6
79.05507	15.7
81.07069	27.1
82.45159	3.1
83.04976	10.6
83.08623	26.4
84.08157	5.4
91.05473	16.4
93.07047	28.0
95.04975	21.5
95.08601	41.9
97.02876	4.5
97.06535	10.0
97.10184	8.1
103.80973	3.5
105.07032	18.7
107.08611	47.1
109.06511	8.9
109.10158	100.0
111.08060	8.4
119.08567	18.0
120.08067	4.2
121.06495	12.6
121.10133	19.9
123.08054	11.6
123.11761	4.7
125.09640	15.4
131.08585	11.7
133.10141	18.2
135.08073	44.2
135.11673	6.1
137.09627	28.8
137.13284	5.9
139.11215	9.3
145.10081	4.9
147.08040	5.3
147.11700	7.8
149.09636	10.4
150.41350	3.5
151.11171	7.9
153.09073	4.7
155.10640	15.8
159.08051	9.6
159.11684	10.0
161.09602	7.6
161.13254	5.9
163.11214	5.0
165.09113	49.9
165.12700	5.0
167.10727	4.2
173.13319	6.5
175.14867	4.2
179.10736	4.5
179.14270	7.7
183.10167	6.3
195.10048	3.7
197.11769	11.7
201.12688	3.0
206.97414	3.1
221.15414	4.8
227.14197	4.3
243.17406	3.5
243.21089	3.8
261.18585	3.0
271.16019	3.7
285.18503	19.2
285.21921	5.6
296.82330	3.4
303.19907	6.3
303.23148	20.0
313.60562	3.3
321.24478	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.1
57.07084	0.9
60.04519	1.0
67.05505	4.4
67.74168	0.5
69.03425	0.9
69.07072	4.7
69.94766	2.0
70.06579	1.2
71.05002	1.1
72.04537	0.5
72.08147	0.4
74.55466	0.4
79.05491	2.8
81.07056	9.2
83.04993	1.3
83.08613	0.9
84.08139	1.6
85.06534	0.9
86.09708	100.0
91.05460	3.5
93.07047	5.7
95.04971	1.8
95.08611	6.9
97.02918	0.6
97.06536	1.4
97.10165	2.5
98.09706	1.3
98.11562	0.5
103.05472	4.2
105.07038	4.7
107.04971	1.5
107.08591	5.7
109.06535	1.6
109.10160	10.2
111.04487	0.7
111.08097	1.0
111.11699	0.6
117.06987	0.5
117.30880	0.4
119.08583	4.5
120.08109	94.9
121.06517	1.1
121.08389	0.7
121.10135	4.4
123.08091	1.1
123.10918	0.5
123.11717	2.7
125.09595	0.8
127.11246	0.4
128.10718	51.1
129.86771	0.4
130.34018	0.4
131.04955	2.5
131.08589	1.1
133.10155	2.6
135.08046	0.6
135.11702	3.2
137.09607	2.1
137.13268	1.0
139.11201	0.6
143.08505	0.5
145.10141	2.3
147.08038	0.6
147.11708	3.1
149.05991	2.1
149.09618	1.0
149.13269	1.7
151.11163	1.7
155.10663	0.6
156.10208	16.6
157.10114	1.3
158.15399	1.7
159.11691	1.8
161.09631	0.6
161.13264	1.2
163.11133	0.8
163.14780	0.6
165.09137	2.5
165.12785	0.7
166.08643	66.0
167.10674	0.8
169.10114	0.5
171.11780	0.7
173.13223	1.0
174.09184	0.6
175.11226	1.4
175.14888	0.8
177.12657	0.7
177.16466	0.6
179.10716	1.2
181.12183	0.6
187.14853	1.4
191.10774	0.6
193.12241	0.5
199.14951	0.9
201.16386	0.6
213.16383	0.4
229.15875	0.6
261.64200	0.6
275.23688	0.6
285.22104	1.4
302.37363	0.5
303.13376	0.6
303.23135	6.2
321.24478	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	321.1442
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
54.06640	0.8
55.01855	1.2
55.05505	1.8
56.05029	4.4
58.06593	1.1
60.04526	1.0
66.56849	1.0
67.05502	4.2
68.03279	0.9
69.03430	1.9
69.07058	2.4
70.06241	0.7
70.06596	16.6
72.08163	6.0
74.06087	0.9
79.05502	2.3
81.03427	1.0
81.07066	2.2
82.06617	0.9
84.04511	7.5
84.08153	17.8
85.02908	1.8
85.08466	1.4
86.09715	9.7
87.05576	1.2
90.10404	0.9
91.05482	3.5
93.07033	2.2
94.06562	3.1
95.04949	1.7
95.08609	1.4
96.04500	1.4
96.08113	2.2
97.02863	1.3
97.06542	2.4
98.09703	5.8
105.07066	2.5
106.06568	1.1
107.04961	2.3
108.04487	1.1
108.08105	2.0
110.06039	4.8
110.07169	4.1
112.03976	1.0
113.07156	1.2
115.08720	1.1
118.06526	1.0
119.04972	2.0
119.08583	2.2
120.08130	6.9
121.06492	2.1
122.06065	8.4
122.09665	1.3
124.07597	3.8
126.05458	1.0
128.06255	1.2
129.07031	1.5
129.10268	5.7
130.04984	3.3
130.06563	1.0
133.10208	1.5
134.06046	3.2
135.04373	1.1
136.07588	11.5
138.05469	2.0
140.07059	1.0
140.14323	1.7
142.07748	1.1
143.11832	1.3
144.08031	1.2
145.08890	1.2
146.06041	3.1
147.04401	2.4
150.05536	3.8
152.07063	9.8
154.08636	4.4
155.08514	1.0
158.06000	1.2
158.15361	2.2
160.07608	2.8
161.07094	1.5
162.09151	1.2
163.04018	0.9
164.07106	3.0
166.08656	2.5
170.09702	4.4
172.07565	1.7
172.11243	1.2
174.09140	2.0
175.08682	3.0
176.10710	1.6
184.11195	1.3
186.09155	3.5
187.08643	1.8
187.12329	7.3
191.08496	1.3
198.09149	18.9
199.10016	1.0
200.09233	2.1
200.10776	3.7
202.08701	2.3
203.03419	2.5
203.11792	1.9
212.10728	4.1
214.08826	2.3
215.08209	3.1
215.11816	16.4
216.10236	3.9
217.09706	1.5
225.10201	1.0
226.08658	4.7
228.10332	1.3
229.13254	1.7
230.11948	4.7
231.11359	2.0
233.09325	1.5
239.11856	2.1
240.10124	3.1
241.13394	1.8
243.11305	54.2
244.09740	1.5
245.12871	1.2
246.11298	1.7
248.11499	1.6
255.11324	3.3
257.09070	2.0
257.12872	5.3
258.11185	6.0
259.14377	1.5
260.12827	1.5
261.12350	48.7
267.11279	3.8
268.09778	1.4
273.12354	3.9
275.10455	1.5
275.13916	5.5
276.12372	1.8
285.12369	13.3
286.10703	1.3
303.13400	100.0
304.11734	2.7
321.07660	7.1
321.11267	3.7
321.14456	81.4
321.18033	4.0
321.21436	7.5
334.12906	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	321.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	18.8
57.03440	0.9
60.04518	0.7
63.35833	0.6
69.03421	1.1
70.06593	2.8
71.50748	1.0
71.51148	1.1
72.08156	1.1
73.28110	0.8
74.97631	1.0
79.22550	0.6
81.03461	0.7
84.04510	1.5
84.07690	0.7
84.08128	3.5
84.96032	10.6
85.02918	3.3
86.09711	2.4
91.05483	1.8
97.96799	1.4
98.09700	1.0
98.97591	100.0
110.07192	1.8
110.97575	28.3
112.99151	2.4
115.00713	1.0
116.98629	23.2
119.04930	1.9
120.08086	0.9
120.20368	0.6
124.99113	3.3
126.97108	1.2
128.98616	14.9
128.99573	0.7
131.00208	1.8
134.99678	2.3
137.69894	0.6
140.98596	6.6
143.00174	9.4
143.81607	0.7
144.98093	3.8
145.04982	0.8
146.99649	2.7
147.04395	4.5
152.00194	0.7
152.98611	12.4
155.00201	1.4
158.15402	3.1
158.99664	16.3
159.15787	4.7
161.01253	4.9
162.99129	1.8
170.99699	7.9
174.13319	1.6
177.00735	8.7
177.04286	0.7
181.67035	0.6
182.99734	1.0
189.00725	3.2
189.06595	1.7
201.00710	6.0
201.04349	1.2
219.01785	31.5
235.07190	1.5
237.02834	26.8
261.06467	13.4
272.05569	0.7
279.07532	83.4
297.08655	10.1
302.09094	2.2
318.08521	1.0
321.08557	77.3
321.21017	7.8
322.09143	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1449
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
55.05495	3.5
55.61355	1.1
56.05013	4.4
56.96552	2.1
57.03426	2.4
60.04514	2.4
60.05665	1.7
65.03944	2.1
67.05508	12.3
69.03423	4.2
69.07061	1.9
70.06254	1.9
70.06601	19.7
71.04998	3.1
71.15479	1.4
71.15809	1.3
72.08163	6.8
74.06077	1.9
77.59566	1.2
79.05482	3.8
80.05009	2.6
81.03389	2.0
81.07022	1.6
82.06565	3.7
83.04967	5.1
84.04498	6.9
84.08145	14.6
85.02901	4.1
86.09711	5.9
87.04450	1.6
91.05470	5.0
91.99874	1.2
93.03371	1.5
93.07047	4.2
93.55389	1.3
94.06583	14.7
95.01305	3.1
95.04951	2.3
95.07328	2.4
95.08579	2.3
96.04476	1.7
96.08127	3.4
97.02875	2.8
97.06524	1.8
98.06068	6.8
98.97573	4.2
101.07129	1.3
102.05541	1.7
103.05485	1.6
104.05330	2.0
105.07028	2.2
107.07333	1.4
108.08118	7.2
109.02860	1.3
110.06065	11.1
110.07143	7.4
110.09703	6.3
110.97594	1.8
111.04430	3.4
119.04919	5.2
120.04498	1.5
120.08109	9.1
121.06503	1.9
122.06027	9.3
123.06805	3.8
124.07571	4.5
126.05490	2.1
129.10225	3.6
130.04961	2.7
134.06013	3.6
135.04362	1.3
136.06256	1.6
136.07564	8.9
137.05989	1.9
137.08321	5.0
138.05527	15.5
138.09157	22.7
139.03912	7.5
143.08638	1.4
144.08128	1.9
145.08696	3.1
146.06078	2.6
146.09604	2.0
147.04402	11.2
148.06053	2.6
148.07570	5.4
150.05582	1.9
152.07120	1.6
153.05392	1.5
155.03360	1.3
155.06012	1.7
156.06575	46.4
158.09584	2.9
158.53873	1.4
159.10391	2.3
162.05513	3.5
162.09169	1.4
164.07060	3.7
166.08655	100.0
169.08881	2.3
171.05591	1.5
172.07570	2.0
172.11331	2.2
173.07047	3.3
174.05603	1.3
174.09172	1.6
174.12726	1.6
180.06627	1.9
182.09659	2.5
183.09047	2.4
184.07565	1.8
184.11232	4.9
186.09134	3.8
187.09781	2.8
188.10747	4.0
189.06619	7.5
194.09755	1.5
195.09053	3.7
196.09926	11.0
197.10732	4.9
199.04980	4.3
200.07146	2.2
200.10835	3.1
202.08661	8.7
202.12312	7.1
206.08382	22.8
209.07143	1.6
209.10661	2.4
210.11382	2.1
211.08699	2.5
211.12320	10.1
212.10721	3.9
213.10391	1.7
214.08675	5.7
214.12152	1.8
215.09401	4.7
215.55525	11.1
216.10182	4.4
217.06079	5.3
217.64505	1.3
219.01721	1.7
220.09947	3.0
221.10779	10.1
223.08621	5.6
224.09430	8.5
225.10103	3.9
226.11052	3.1
227.08133	5.3
230.11829	7.7
232.09627	6.0
233.10541	1.8
234.11288	8.6
235.07124	8.5
237.02760	1.4
237.10158	4.9
238.11035	8.7
239.02304	2.2
239.08131	1.8
239.11826	24.7
240.10165	4.4
241.09648	2.8
243.11343	2.0
252.09106	1.7
254.10577	2.5
256.12021	2.2
257.12802	6.5
258.11261	15.1
262.10760	17.1
267.11292	50.2
267.88760	1.3
268.09439	1.8
272.11554	3.4
275.13892	2.8
276.09241	1.5
276.12296	37.8
277.07925	1.4
285.12366	59.6
293.14716	1.5
303.06076	5.0
303.10028	2.9
303.13400	36.2
304.08398	2.0
304.11813	27.3
321.07034	2.3
321.10825	3.8
321.14432	45.2
321.18198	2.3
321.24194	1.8
322.09100	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	321.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09598	1.3
54.70303	1.3
56.96561	3.4
61.02916	2.1
67.05531	1.9
69.03420	5.8
70.03745	2.3
70.06574	2.6
70.21120	6.3
73.02892	2.1
74.36526	1.7
84.08112	2.9
85.01408	1.9
85.02897	7.1
86.03262	1.8
87.04498	2.1
88.71695	1.3
92.03057	1.5
96.92242	1.4
97.02878	2.8
98.03222	1.7
98.09695	13.6
98.97600	7.7
99.10011	7.9
101.00864	6.3
103.02467	2.8
112.89613	42.0
112.99114	3.1
114.89343	24.3
115.02441	3.5
116.89144	12.8
116.98605	2.8
117.66139	1.6
118.88942	3.9
119.01923	9.0
119.92510	4.2
124.00653	2.0
127.02439	1.8
131.00166	1.5
131.01872	2.1
133.03445	12.8
139.91452	7.4
140.14316	5.8
141.14653	5.8
141.91335	4.4
142.01741	7.5
145.03444	3.3
151.04526	2.0
158.15414	43.0
159.15753	51.3
160.02890	3.8
161.02914	1.8
171.01375	2.0
173.02913	2.2
175.04539	33.1
187.00938	4.5
187.04443	8.7
189.02376	2.4
201.06140	2.2
203.03455	3.4
221.04591	3.3
229.02234	1.8
247.03061	5.0
320.99268	2.2
321.05777	15.0
321.11465	41.3
321.21021	100.0
322.05566	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	320.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.1
56.05044	1.3
62.89050	0.5
67.05504	3.0
69.26287	4.3
70.06583	1.9
73.83353	0.4
79.05511	0.5
81.07049	0.7
84.08148	40.5
86.09700	0.6
86.68887	0.4
89.03912	5.8
91.05467	0.4
91.77126	0.5
98.09701	10.4
109.10176	0.9
117.03389	23.3
126.12803	25.4
134.03610	1.4
135.04417	1.3
135.72948	0.5
140.14352	2.6
144.13844	76.6
145.02853	66.3
145.14157	0.6
146.03192	0.7
147.04437	0.8
149.05994	7.7
156.13840	1.9
158.15404	1.3
163.03931	2.6
165.73502	0.5
174.14928	0.9
177.05479	100.0
178.05804	0.9
186.05496	0.7
215.07043	0.8
217.08757	1.1
217.12292	0.4
232.09686	1.8
260.11191	0.7
275.09097	1.1
302.12323	1.1
320.18573	52.8
321.18915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
54.54475	0.4
55.01882	0.4
55.05502	0.4
56.96571	0.6
57.03439	1.6
61.02937	2.3
67.05498	1.8
69.03434	6.0
69.74240	1.2
69.74654	0.8
70.06589	1.8
71.04988	1.3
73.02927	1.2
79.88837	0.3
81.03416	1.4
84.08140	1.3
85.02906	8.8
87.04490	1.8
89.32398	0.3
91.03967	0.9
94.93004	0.9
97.02899	3.5
98.09695	20.7
98.21465	0.6
98.97579	1.8
99.04449	0.9
109.02879	1.3
109.10161	0.4
110.97581	0.4
112.11228	0.5
112.89614	2.0
114.89334	1.5
116.10684	0.4
116.89114	0.9
127.03914	2.2
128.98563	0.4
138.24289	0.3
139.91507	0.4
140.14342	10.0
145.04956	0.7
146.48764	0.3
148.38173	0.4
158.15407	90.6
158.99721	0.7
159.15694	0.7
187.14401	0.4
199.92560	0.7
205.40988	0.4
279.04025	0.4
320.20673	100.0
321.21021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1855
Annotation	Hippeastidine
Peak:m/z	Relative Intensity
52.10814	0.3
55.05518	0.5
55.75270	0.3
58.06590	0.3
63.27519	0.2
67.05506	4.0
69.07055	0.4
69.23897	2.8
69.85307	0.3
70.06592	6.4
70.06972	0.6
79.05492	0.7
80.90489	0.3
81.07053	0.6
84.08146	2.1
86.09677	0.4
89.03923	1.1
96.08151	0.3
98.09698	100.0
99.10036	0.5
104.99543	0.3
107.04953	0.7
109.10151	0.8
111.10432	1.0
112.11230	1.1
114.09167	0.6
117.03380	2.6
135.04425	5.8
140.07376	0.3
140.14346	32.6
145.02846	5.1
158.15410	23.2
163.03912	31.2
215.94681	0.3
319.69815	0.4
320.18567	74.9
321.18890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2267
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
55.05508	14.3
57.07079	11.6
67.05516	27.5
69.03396	3.9
69.07060	12.7
69.74885	19.0
70.06596	31.4
71.05016	5.7
71.06894	5.2
79.05495	19.5
81.07071	44.7
83.04928	6.2
84.08144	13.9
85.02906	5.9
85.06548	13.2
86.09720	5.7
88.07626	12.0
89.07961	4.9
91.05487	30.7
92.56813	4.2
93.07051	66.3
95.04965	11.0
95.08610	46.2
97.02919	3.8
97.06518	8.4
104.58408	4.3
105.07043	44.3
107.08608	43.4
109.06516	10.5
109.10155	21.4
111.08088	8.3
116.67764	3.8
117.06998	7.4
119.08594	44.4
120.08103	4.1
121.06521	12.2
121.10133	31.8
123.08068	12.3
123.11749	11.7
125.09609	8.2
127.11201	6.0
131.08562	15.8
132.10220	12.0
133.10101	25.6
135.08040	12.1
135.11710	12.5
136.07498	6.0
137.09633	11.0
139.84749	4.3
143.08553	10.7
145.10124	21.3
147.08041	4.3
147.11691	23.3
149.09660	8.5
150.11240	7.4
151.11272	7.0
157.10101	8.3
159.11693	17.8
161.13292	14.2
163.11211	11.3
171.11693	9.2
173.13304	9.7
185.13226	11.6
187.14844	8.9
199.14818	7.7
201.16499	5.4
245.19058	7.5
247.07422	4.0
255.21114	7.1
273.22012	7.7
283.20514	10.3
293.68695	3.6
301.21594	25.3
318.66409	13.0
319.16144	5.8
319.19400	7.0
319.22665	12.6
319.30408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1818
Annotation	Leu-Thr-Ser
Peak:m/z	Relative Intensity
55.01858	0.8
55.05511	0.9
56.05036	9.7
56.96561	1.0
57.03424	1.9
58.06593	4.7
60.04526	32.0
61.01106	0.6
61.04028	1.0
65.03943	1.2
67.05492	2.5
68.05011	1.6
69.03436	3.6
69.07061	3.3
69.71559	3.5
70.02969	1.6
70.06596	16.4
72.04517	2.1
72.08151	3.4
73.05283	0.7
74.06081	38.4
79.05475	0.7
81.04556	0.8
81.07042	0.9
82.06583	1.3
84.04507	4.6
84.08138	9.6
85.02907	4.5
86.06075	1.3
86.09707	37.8
88.07625	4.0
91.05481	5.3
95.04965	1.2
96.04493	1.4
96.08170	0.6
97.02899	3.7
98.06057	34.6
98.09699	2.3
98.97601	4.6
101.07122	0.7
102.05537	1.5
110.06051	1.0
110.07170	2.9
110.97589	2.4
112.03947	1.2
112.07606	2.6
112.08795	0.8
112.11263	1.8
113.06044	3.2
113.07109	0.8
114.05495	1.1
115.08685	3.1
116.07094	100.0
116.98627	0.8
119.04954	8.8
120.08110	2.5
121.06520	0.9
124.11207	0.9
126.05516	2.4
126.12796	1.3
127.03920	2.4
128.03436	0.9
128.98625	1.5
129.10248	2.9
130.04996	1.8
130.06544	0.6
132.08084	2.4
132.10202	18.9
134.05995	0.8
136.07555	1.7
140.07060	3.3
140.14285	1.6
141.05504	1.5
141.13835	3.5
143.08162	35.5
144.06577	1.3
144.08087	1.2
146.99648	0.8
147.03239	1.5
147.04410	24.3
148.04744	1.7
154.01701	0.9
158.08139	4.5
158.10008	0.8
158.11760	1.6
158.15401	9.3
159.09184	3.3
161.01253	0.7
161.09218	44.1
164.07088	0.9
168.72072	0.6
169.13377	3.0
170.06007	1.4
171.07632	6.7
173.12907	1.1
178.13341	0.6
182.04718	0.6
182.08165	1.1
187.14369	3.2
189.08707	70.7
197.12827	5.4
201.00757	0.7
203.12186	3.0
203.49690	0.8
215.13943	2.8
217.36496	0.6
219.01842	4.1
219.06561	0.8
231.11636	1.6
233.14940	9.8
237.02811	4.9
243.13376	5.1
256.16724	0.8
272.16180	1.5
284.16092	2.5
298.05984	4.8
302.17111	19.0
303.09637	3.5
316.07047	3.6
317.07101	0.8
320.12427	1.1
320.17551	1.1
320.21146	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	319.227
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
53.03950	3.7
55.05516	21.4
57.07085	7.8
60.04518	14.4
63.58363	3.7
67.05497	32.8
69.07070	24.6
70.06579	10.4
71.03127	6.8
71.03461	5.0
79.05511	20.8
81.07070	34.9
83.04991	4.9
83.08613	9.5
84.08141	4.3
85.06500	4.0
91.05464	29.6
93.07043	43.2
95.04982	7.5
95.08006	5.4
95.08615	100.0
97.06533	3.4
97.10138	4.9
105.06535	3.2
105.07054	38.3
107.04966	4.9
107.08591	52.5
109.06499	6.6
109.10172	38.0
111.04452	8.6
117.07019	6.4
119.08588	55.8
121.06474	4.9
121.10152	47.9
123.11692	11.9
125.06005	5.3
129.07001	6.2
131.08582	16.7
133.10127	37.0
135.07974	4.7
135.11693	24.0
139.07515	5.9
143.08530	14.8
144.27827	4.0
145.10141	20.1
147.11705	20.6
149.13235	13.9
150.21274	4.1
151.07532	8.1
157.10138	13.8
159.11739	24.2
161.09705	5.1
161.13252	15.6
163.14809	4.7
169.10120	5.2
171.11664	12.3
173.09607	6.6
173.13287	14.0
175.14854	5.7
179.10712	6.6
183.11729	5.1
185.13342	9.7
187.11186	16.6
187.14801	8.8
191.10721	6.9
199.11230	8.8
199.14879	10.8
201.12741	11.4
201.16434	6.6
203.10663	6.0
203.17976	6.7
205.12257	16.6
213.12753	10.4
217.12245	8.9
219.13844	11.6
223.14926	3.8
227.14279	6.6
231.13789	20.9
239.17937	5.8
241.19586	7.7
245.15390	8.5
255.21043	9.1
257.26663	14.7
283.20529	12.8
301.21686	52.7
319.22614	10.2
319.30380	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	319.2269
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
53.03934	3.7
55.01858	2.0
55.05513	16.8
57.03443	4.2
57.07052	2.9
59.04986	5.6
59.92491	1.6
67.05194	2.0
67.05511	30.4
69.03432	18.6
69.07072	22.1
69.27741	12.5
70.06573	7.9
71.04977	8.6
71.08611	2.0
79.05501	20.7
81.07059	100.0
83.04566	1.7
83.04995	19.2
83.08630	8.5
84.08115	5.0
85.06526	7.5
91.05488	20.9
93.06510	3.4
93.07047	48.6
95.04967	11.9
95.08613	60.9
95.54916	1.5
97.02864	2.4
97.06530	15.7
97.10188	12.1
98.09671	2.4
98.20760	2.7
99.04458	1.8
99.08103	3.8
105.07039	50.4
107.04921	3.6
107.08604	61.3
109.06546	13.6
109.10160	46.0
110.07176	1.9
111.04488	3.2
111.08060	8.7
111.11721	2.1
112.08746	1.6
115.05466	1.9
117.07011	5.8
119.08588	40.2
121.06503	10.2
121.09354	2.6
121.10154	41.2
123.08055	13.5
123.11711	16.0
125.06012	2.5
125.09631	20.7
127.07581	1.8
127.11198	4.2
129.06941	3.2
131.08586	18.7
132.99831	1.8
133.06470	2.6
133.10136	37.5
135.08049	9.8
135.10713	2.2
135.11696	25.0
136.07594	2.7
137.09613	9.2
137.13231	3.9
139.07492	2.7
139.11139	6.5
141.09053	2.7
142.07689	3.7
143.08519	7.3
143.10675	2.0
145.10123	31.2
147.08029	3.7
147.11696	20.5
149.09628	13.3
149.13243	15.1
151.07526	1.9
151.11179	10.0
153.09064	2.1
153.12709	3.9
156.09355	2.3
157.08722	3.8
157.10104	12.3
159.11678	26.8
161.09630	10.6
161.13255	16.9
163.11214	10.0
163.14777	2.8
165.09171	2.2
165.12720	5.5
169.10161	2.7
171.11676	7.5
173.09647	3.6
173.13248	13.3
175.11131	6.0
175.14777	5.7
177.09077	2.4
177.12695	2.4
177.16379	2.8
179.10690	3.0
183.11742	3.7
185.13225	5.9
187.11128	2.0
187.14789	7.7
189.12698	3.8
189.16360	2.8
191.10684	3.0
191.14311	11.1
191.17957	16.4
197.13229	4.8
199.14804	13.0
201.16402	13.9
203.14284	4.2
205.12254	2.8
205.15593	2.4
209.13246	2.2
213.12813	2.2
213.16339	4.7
215.14253	2.7
216.96820	1.6
217.15819	2.7
219.14000	2.0
219.17468	22.8
227.17787	2.2
231.17419	3.5
241.19481	3.0
255.21111	8.1
257.22629	2.8
268.34506	1.9
273.22141	27.6
275.23709	3.0
283.20612	16.7
291.23038	5.1
301.11743	2.3
301.18301	1.6
301.21622	48.3
319.19235	3.6
319.22699	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.227
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
53.03947	7.4
55.01868	4.1
55.05513	19.4
57.03424	2.7
57.07069	3.1
65.03924	3.2
67.05511	29.5
69.03434	10.0
69.07066	22.5
70.00406	6.4
70.00826	8.4
70.06589	9.3
71.04999	7.4
72.08154	2.6
77.45747	2.7
79.05500	48.5
81.07059	100.0
83.04977	6.0
83.08646	6.1
84.08158	4.7
85.06544	7.4
85.84657	2.5
91.05479	24.5
93.06480	5.4
93.07051	79.5
95.04987	15.4
95.08616	56.0
97.06532	20.2
97.10187	5.2
97.52210	2.7
98.21432	3.0
99.08074	4.0
101.96910	2.9
105.04564	2.8
105.07040	52.6
107.08601	74.1
109.06531	23.0
109.10155	31.4
111.08080	14.5
117.07024	10.6
119.08589	60.3
121.06493	29.5
121.10150	76.3
123.08089	22.7
123.11747	14.8
125.09615	4.6
129.07062	3.6
131.08572	16.7
133.10126	29.1
135.08084	31.4
135.11694	41.1
137.09615	10.3
142.07716	4.5
143.08588	11.0
144.08098	11.2
144.09164	2.7
145.10152	37.7
147.08067	5.8
147.11710	19.3
149.09622	17.4
149.13258	7.7
151.11212	24.1
157.10088	13.8
159.08092	3.6
159.11703	26.5
161.09625	9.5
161.13365	13.0
163.11194	29.9
163.14850	4.4
165.09137	8.6
165.12791	2.9
171.11710	6.4
173.09631	4.7
173.13292	23.3
175.11180	11.5
175.14816	7.2
176.14339	5.6
177.12793	4.0
181.12315	4.4
185.13257	12.9
187.14877	6.6
189.12749	6.0
191.14333	13.6
193.46765	2.8
199.14845	5.7
201.12755	14.5
201.16341	7.2
203.14340	8.1
205.12288	3.2
213.12755	3.1
215.14357	4.2
219.13817	32.2
221.15524	3.5
223.14673	4.5
227.17955	7.3
236.15198	3.6
255.21118	4.8
259.20834	3.8
265.19577	5.9
273.22141	8.6
283.20627	11.6
301.18274	6.0
301.21606	65.5
318.66373	4.7
319.16547	4.7
319.22372	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	319.2264
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
53.79145	4.0
55.05502	14.3
57.07076	11.7
67.05512	24.3
69.03436	10.3
69.07056	16.9
70.06602	28.1
71.05000	12.3
71.06931	5.7
71.51344	6.0
79.05494	27.2
81.03407	6.4
81.07066	52.3
84.08124	7.7
85.06537	12.5
88.07615	8.6
91.05491	29.8
93.07047	68.1
95.04956	19.0
95.08619	60.8
97.06519	16.4
105.07043	47.9
107.08614	41.7
109.06511	10.5
109.10176	31.1
110.07205	5.1
111.08071	10.9
114.09119	4.4
117.06992	7.2
119.08604	47.4
121.06499	8.6
121.10143	38.7
123.08080	9.5
123.11677	8.0
125.09613	10.8
131.08571	19.3
132.10210	12.0
133.10132	21.2
135.08038	13.7
135.11682	16.6
137.09624	7.3
143.08644	5.3
145.10143	30.9
147.08060	7.2
147.11671	21.8
149.09584	6.5
149.13281	12.2
150.11234	13.3
151.11349	6.0
155.10680	4.5
157.10100	10.9
159.11661	24.9
161.13258	14.6
163.11168	14.4
163.14746	5.2
165.09148	5.7
169.33377	5.1
171.11671	10.6
173.13255	11.4
175.11217	6.2
185.13278	5.3
187.14868	7.2
191.14366	6.2
199.14792	11.0
201.16353	10.4
213.16481	5.6
227.17836	6.1
233.15431	6.7
245.19064	10.0
247.80128	4.2
255.21104	11.2
273.22168	7.0
275.27765	7.3
283.20636	9.8
297.07538	6.1
301.21625	36.1
304.66980	5.4
318.66461	11.0
319.19318	9.0
319.22699	19.9
319.30420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90265	0.6
55.05449	0.7
56.04948	6.2
56.05250	1.2
57.05751	1.2
57.06000	0.5
58.05266	0.6
59.33495	0.6
60.04459	0.8
60.05564	2.5
60.05888	0.9
67.05436	0.7
67.54121	0.6
69.04471	0.6
69.07013	0.6
70.06496	10.0
70.06908	1.3
72.08059	2.5
75.23056	0.5
80.70972	0.5
81.47211	0.5
83.06010	2.3
84.04405	1.8
84.08043	8.6
85.07588	0.6
86.09600	4.8
87.05499	0.8
87.09972	0.9
88.03903	0.7
91.05401	1.5
95.05994	1.9
97.02752	0.6
97.03951	0.6
97.06450	0.6
97.07578	0.8
98.07088	0.7
105.05708	0.9
106.06487	1.3
110.07056	2.2
111.05582	7.4
112.04999	0.7
112.08624	1.7
113.07144	4.2
115.08590	0.6
115.97950	0.6
118.06463	0.6
119.04900	0.6
120.04375	2.4
120.08118	3.7
121.06403	1.1
121.20155	0.5
122.06013	0.5
123.05492	0.8
126.06648	2.9
126.09164	3.8
127.07304	1.7
128.08177	0.7
129.10242	3.9
130.06444	1.1
132.04457	12.9
132.05420	1.4
132.08012	1.1
134.06032	4.0
136.07620	2.7
137.04655	0.6
138.09064	0.7
140.08173	2.6
143.11728	1.2
148.03983	3.0
150.05515	7.8
151.06152	6.7
152.06927	1.1
157.12125	0.7
161.07176	0.7
165.06543	1.1
166.04984	5.1
174.05472	1.2
176.06999	1.7
185.07027	1.1
187.07401	0.6
187.08672	5.5
189.06548	1.5
194.04401	1.1
202.09740	4.4
203.08168	4.0
216.11246	1.1
219.07605	1.0
230.09196	3.5
231.07652	27.0
232.10730	1.5
233.09137	1.6
233.13988	8.4
234.12447	0.7
242.09370	2.7
246.08720	1.3
249.13469	0.6
255.11203	1.3
257.10345	5.1
259.11914	28.9
260.10388	1.6
270.10098	0.6
271.10712	0.6
273.12335	1.8
277.12967	85.4
283.10803	1.7
284.11462	6.7
301.11847	2.8
301.14413	1.8
302.12494	46.7
319.15195	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1815
Annotation	Ile Trp
Peak:m/z	Relative Intensity
52.14594	0.3
52.33547	0.3
55.05508	0.4
56.05042	0.7
57.05818	0.5
57.42924	0.3
58.06614	0.6
67.05525	0.5
69.07076	12.0
69.38811	2.7
70.06602	4.7
72.08160	2.1
84.04514	1.1
84.08154	5.4
85.02918	0.7
86.09715	100.0
87.10049	1.4
91.05482	0.8
92.05876	0.4
93.07046	0.8
98.09708	0.8
103.05470	1.3
105.07073	0.6
110.07182	1.5
113.10783	0.9
114.47347	0.3
118.06538	2.8
119.08565	0.4
120.08117	6.7
121.06526	0.8
121.08492	0.4
123.04446	0.3
129.10271	2.3
130.06535	1.1
132.08069	1.7
133.10164	0.4
136.07587	0.8
137.05994	0.9
138.06358	0.8
141.10231	2.1
142.06403	0.4
143.11800	0.5
144.08092	2.8
146.06029	18.3
151.07512	0.4
152.07852	0.6
152.83159	0.3
156.07788	0.5
157.13382	0.9
158.13802	0.4
159.09224	2.9
160.07697	0.4
170.06064	1.5
188.07088	41.5
205.09746	39.1
206.09975	0.4
272.17764	0.5
301.11783	0.4
318.12421	0.6
318.18152	14.6
318.66272	0.6
319.13077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2026
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
52.98663	0.4
55.01883	0.5
55.05515	4.7
56.05051	0.8
57.05844	0.5
58.23411	0.5
60.04527	25.1
69.03423	0.7
69.07076	0.9
69.53304	2.9
70.02961	1.3
70.06596	3.0
70.93412	0.4
72.08158	63.2
73.06590	0.4
79.05460	0.5
84.04504	0.7
84.08150	2.4
85.02914	1.5
86.09710	37.7
87.05596	17.8
88.04025	0.5
94.06570	0.7
96.08146	1.5
98.09705	1.0
110.07170	0.9
112.08725	0.5
112.11225	0.4
114.09172	16.6
118.08652	1.9
120.08118	2.0
121.06612	0.5
123.77499	0.5
128.10727	3.0
129.10193	0.8
132.10214	5.8
141.10310	0.7
145.04945	0.7
147.28104	0.5
159.11295	100.0
173.12866	33.2
187.10786	39.8
187.12547	0.9
201.12350	12.8
205.11800	1.0
220.38664	0.4
231.16989	2.3
272.10999	0.5
301.11484	0.7
318.19907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63455	0.4
55.05512	4.0
56.05040	0.7
60.04525	25.0
67.79142	0.4
69.07069	0.7
70.02954	1.5
70.06597	3.1
70.90312	0.9
72.08157	66.8
81.07056	0.4
84.04464	0.7
84.08138	2.7
85.02922	2.4
86.09709	39.3
87.05594	18.3
87.06126	0.9
87.61292	0.5
88.03997	0.7
91.05487	0.6
94.06576	1.0
96.08127	1.6
97.02903	0.9
97.31628	0.4
98.06055	0.4
98.09711	0.5
100.07625	0.6
102.08067	0.4
103.05461	0.7
105.07079	0.5
109.02882	0.4
110.07185	0.8
111.06146	0.4
112.47998	0.4
113.44994	0.4
114.09173	18.8
115.08662	0.6
118.08644	1.8
119.07339	0.4
120.08089	1.7
121.06519	1.1
127.03918	1.0
128.10710	2.8
129.10245	1.1
132.10211	5.9
141.10196	0.7
145.04941	1.6
159.11292	100.0
168.10255	0.5
173.12865	32.8
187.10785	40.5
201.10553	0.8
201.12338	11.7
205.11763	1.4
231.16997	2.5
242.08524	0.5
250.69041	0.4
272.10843	0.5
301.08371	0.5
301.11719	0.4
318.20062	0.9
318.66571	0.6
332.76031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.3
56.05007	4.4
57.03426	7.8
60.04528	5.0
61.02913	9.4
65.14847	2.4
69.03426	15.4
69.07087	2.6
69.30164	17.8
70.02962	2.6
70.06593	16.9
71.04996	4.4
72.08167	12.5
73.02914	5.0
74.06065	2.4
81.03410	8.1
84.04505	19.0
84.08160	14.2
85.02904	98.5
85.05836	2.0
86.09707	100.0
87.04479	3.7
87.10013	2.8
88.03997	13.3
91.03973	5.3
91.05489	3.8
93.07047	2.6
96.04493	8.7
96.08109	2.6
97.02899	22.4
98.02428	3.7
98.06050	2.7
99.04435	3.5
102.05549	16.6
105.07043	4.1
109.02881	7.1
110.07165	6.9
110.09699	2.1
112.07556	3.0
113.07171	2.5
113.10768	3.1
114.05549	14.0
115.08715	2.8
116.07090	2.8
120.08125	5.6
121.06509	72.0
124.03967	5.4
127.03906	20.8
129.10269	5.3
132.10204	20.1
136.07591	3.5
138.05482	5.5
138.09116	11.3
139.03862	2.4
141.06601	26.6
141.10242	7.2
145.04968	39.2
147.04379	3.8
156.06517	4.0
156.10187	14.2
158.14771	2.1
159.07652	22.4
163.05995	7.8
164.10666	2.3
170.04398	2.1
173.12816	11.0
180.08713	19.9
183.11307	4.4
184.09740	3.9
187.07240	33.1
201.12337	80.4
201.14235	4.7
205.08571	10.5
229.08578	3.2
229.11818	19.7
235.09608	3.0
236.98920	3.1
247.09657	3.7
247.12920	5.2
265.10764	2.7
286.05576	3.1
318.15286	3.2
318.66458	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	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01861	3.0
57.03424	4.4
58.93025	0.9
60.04497	1.5
60.18704	1.0
61.02932	11.2
65.35908	1.0
67.12467	0.9
67.97289	1.3
69.03095	1.2
69.03435	16.1
69.07063	1.1
69.79780	5.3
70.06599	26.0
71.04990	1.6
72.08139	2.1
73.02898	4.2
74.06087	1.7
75.29455	0.9
81.03413	6.2
84.08144	11.0
85.02908	100.0
86.09695	4.2
87.04472	3.7
87.23492	1.2
91.03957	7.1
91.05469	2.9
93.07028	3.4
97.02902	20.9
99.04449	4.5
103.05457	2.1
109.02901	7.9
112.08753	1.0
114.05499	1.1
115.03957	1.5
115.08719	9.6
120.08131	12.8
121.06507	86.3
127.03923	21.4
129.10226	4.8
130.06558	1.4
130.08636	3.6
136.07599	2.0
143.08179	3.3
143.11813	1.6
145.04964	41.1
145.06242	1.7
147.11270	3.6
156.10182	2.5
159.08035	3.0
160.27721	1.0
160.43877	1.3
163.06039	11.9
163.07323	2.1
175.07510	3.2
176.10670	1.7
179.06993	2.7
180.08647	4.0
187.07555	16.4
191.11852	1.1
201.09091	1.8
205.08630	10.5
217.08482	1.8
226.15450	1.7
229.08551	6.1
235.09746	1.5
244.16628	9.4
247.09679	4.0
265.10614	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	318.082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01868	0.8
55.05503	2.5
56.05033	1.5
56.96567	3.0
57.03435	1.3
58.06604	0.7
60.04537	2.0
60.05645	1.3
60.65163	0.3
61.02928	4.6
67.01864	6.9
67.05505	0.6
68.05031	0.9
68.99792	0.8
69.03426	2.0
69.07072	3.9
69.49270	1.8
70.02964	0.5
70.06596	8.0
71.01355	0.6
71.04987	0.5
71.06953	0.4
72.08156	30.4
73.02911	1.2
74.06083	1.2
75.05602	1.3
79.01850	0.8
79.05068	0.3
79.05500	0.8
81.03417	1.1
81.07058	0.3
82.06584	0.4
83.06105	0.7
84.04507	5.8
84.08144	9.9
84.96039	0.5
85.02908	5.1
85.06544	0.6
85.08484	1.3
86.09707	100.0
87.10040	0.9
88.04005	1.0
90.05579	0.4
91.05482	1.5
93.03410	0.9
95.01337	1.9
95.04961	0.7
96.04488	1.9
97.02886	2.5
98.06049	0.5
98.09682	0.6
98.97582	2.8
99.04467	0.5
100.07639	0.4
101.58390	0.3
102.05550	2.9
104.05294	0.4
105.03387	0.7
106.02928	1.1
106.05051	0.4
107.01323	0.4
107.04945	0.8
108.04442	0.4
109.02895	1.0
110.01296	0.5
110.02415	0.7
110.06040	1.4
110.07175	1.7
110.97577	0.9
111.00806	1.3
111.03212	0.7
111.04422	0.4
111.09167	0.4
112.03982	0.4
112.08752	1.3
113.02374	1.0
114.05546	2.7
115.08652	0.6
116.03487	0.3
116.07124	0.5
116.98656	0.9
119.01862	0.4
119.04984	0.9
120.04434	0.5
120.06647	0.6
120.08094	1.6
121.02866	2.2
121.06478	1.8
122.06029	1.1
123.00829	0.4
123.04437	1.0
124.03966	4.6
125.02378	0.8
127.03966	0.5
128.03427	0.4
128.98615	1.0
129.06613	0.8
129.10249	3.7
130.05000	1.8
130.10612	0.8
133.02866	0.5
134.02420	1.2
134.04407	0.3
134.06050	0.4
136.06210	1.5
136.07567	1.7
137.02373	0.6
138.01860	12.6
138.05508	6.3
138.06560	0.7
139.00275	2.4
139.03925	0.5
139.08652	0.5
140.03464	0.7
140.14368	0.4
141.06619	0.6
143.00191	0.7
143.01791	0.4
143.11804	6.5
143.12935	0.4
145.04930	1.3
147.04427	1.4
148.03909	3.6
148.04958	0.5
148.06009	3.6
149.02373	1.4
149.71945	0.3
150.01874	0.4
150.05484	2.4
151.00330	0.5
151.03925	1.2
152.02328	0.7
152.03415	4.8
152.07063	0.4
153.01843	1.1
156.06567	2.0
156.07761	0.5
156.10222	0.8
157.13368	26.7
158.99715	1.1
161.02425	0.9
162.01840	1.7
164.03392	0.8
165.01935	0.5
166.01447	0.5
166.05014	2.9
167.03447	0.7
167.99991	0.3
168.02982	0.9
168.06561	0.5
170.04544	0.6
171.11310	2.4
171.15059	0.4
173.09251	0.7
176.03474	1.4
177.00514	0.4
177.01907	1.0
178.05028	1.3
178.99760	0.9
179.03423	1.3
180.02919	14.8
181.01357	1.2
183.07642	1.5
185.12877	13.2
185.16483	23.6
187.10718	0.4
188.03436	0.4
189.01872	1.7
189.12419	0.4
190.01369	6.4
192.03084	0.4
192.99733	0.4
193.01425	0.5
194.04526	1.3
195.02933	0.7
196.06120	0.8
197.12933	1.0
201.00745	0.6
201.08684	0.4
201.12398	1.2
203.03891	0.3
205.01329	0.6
205.08348	1.0
205.11919	1.7
206.04523	1.9
207.02904	3.1
207.53951	0.8
208.02417	12.3
209.00844	0.4
211.02408	0.4
213.15979	13.5
215.14021	0.5
216.54434	2.6
219.01866	1.1
219.13467	1.0
221.05122	0.4
222.03879	1.6
223.02434	1.4
225.09988	0.4
225.12407	0.8
229.11891	0.5
237.02925	1.1
240.05099	1.4
247.12939	1.4
251.02036	0.6
268.04520	39.5
269.02780	1.9
286.05579	31.7
287.03784	2.4
300.07297	1.4
300.19315	0.7
304.66614	0.4
317.58966	0.5
318.08167	9.4
318.14975	0.4
318.22269	1.2
318.66229	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	317.2113
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.01870	2.9
55.05511	10.7
57.07073	5.4
59.05003	4.9
60.04523	11.9
64.50912	1.3
65.03932	2.2
67.05507	48.7
69.03453	3.3
69.07075	5.5
69.14407	12.2
71.04971	2.4
79.05506	10.5
81.03433	1.9
81.07059	37.9
81.85784	1.2
83.04984	1.8
83.08648	1.9
85.06539	1.6
86.09695	2.8
91.05486	18.1
93.07047	18.4
95.04963	23.1
95.05478	1.6
95.08606	19.0
97.06542	5.4
103.05501	1.5
105.07030	24.4
106.07343	6.3
107.08598	39.1
109.06532	15.2
109.10159	84.3
111.08079	1.9
117.07047	3.4
119.08586	53.3
121.06517	8.2
121.10155	6.8
123.08080	23.7
125.06011	3.3
129.06984	1.3
131.08611	6.2
133.06538	2.7
133.10129	8.1
133.12627	1.4
135.08066	11.0
135.11676	2.8
137.06006	1.8
137.09624	61.1
138.10042	1.9
139.07591	1.8
142.07823	1.5
143.08632	2.3
145.10133	6.9
147.08118	4.6
147.11717	5.4
149.09659	4.5
151.07545	64.1
151.79199	1.5
153.05502	4.0
155.08646	2.2
156.09325	2.1
157.10152	3.7
158.09967	1.8
159.08087	2.6
159.11740	5.2
161.09648	9.2
161.13293	3.1
163.07547	1.8
163.11259	3.7
165.09145	8.1
167.07126	3.2
171.11754	4.6
173.09702	2.6
173.13322	3.7
175.11348	1.7
177.09186	3.2
181.08623	6.7
181.12274	3.5
183.11816	3.8
187.11246	2.3
189.12747	27.7
191.10704	2.6
191.14314	1.8
192.11462	1.9
197.13370	3.4
199.11238	2.0
201.12842	2.7
203.14401	4.6
207.13799	25.8
213.12782	2.1
215.14423	4.7
221.15445	2.8
225.12759	1.6
233.15466	2.4
237.14894	4.7
243.13783	8.7
261.14932	7.9
281.19009	3.4
281.26776	2.1
285.93021	1.4
299.16861	2.3
299.20010	14.3
299.27917	3.1
299.47754	1.5
300.16534	1.4
317.21252	100.0
317.28705	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	317.2115
Annotation	all-trans-4-Hydroxyretinoic acid
Peak:m/z	Relative Intensity
53.03948	5.0
55.01873	3.9
55.05265	2.4
55.05515	23.1
55.18185	1.5
56.05855	1.3
56.96557	2.6
57.03443	9.7
57.07078	3.3
63.05611	1.5
65.03942	4.2
67.05511	60.0
68.05845	12.9
69.03429	8.3
69.07076	18.5
70.06605	12.0
70.52470	3.5
71.04996	6.0
72.08179	1.8
75.04461	2.9
77.03943	1.7
79.05500	47.1
80.05836	6.4
80.06255	1.6
81.03441	2.6
81.07066	83.9
82.07395	8.8
82.07792	1.3
83.04991	5.6
83.08627	7.8
84.08166	10.2
85.02905	2.1
85.06557	3.8
86.09711	3.0
91.05491	37.0
92.05821	5.5
93.07054	83.1
93.16080	1.4
94.07383	7.7
95.04979	21.3
95.08617	100.0
96.05320	3.2
96.08953	17.9
97.06548	11.9
97.10192	3.9
98.09672	1.8
98.97607	4.0
99.04452	4.0
103.05467	4.5
104.05822	1.7
105.04552	1.8
105.07045	65.7
106.07352	8.3
107.04974	2.7
107.08607	73.2
108.08137	3.4
108.08932	3.7
108.27489	1.4
109.02885	4.7
109.06543	23.3
109.10167	41.2
110.09821	2.4
110.10475	9.9
111.08096	12.1
117.07037	10.0
119.08594	62.4
120.08108	3.4
120.08947	7.0
121.06516	69.3
121.10159	48.3
121.11047	2.1
122.06839	34.2
123.04468	2.3
123.08081	17.8
123.11699	9.3
124.08427	1.8
124.11252	1.6
125.06009	1.9
125.09620	2.9
128.06245	2.6
129.07014	5.7
129.10252	2.6
130.07845	2.5
131.08585	25.4
133.06520	4.3
133.10146	33.3
135.08069	22.8
135.11688	16.1
136.07597	3.3
136.12048	3.5
137.06003	1.9
137.09619	11.8
138.09169	3.9
138.10074	2.2
139.07599	2.3
139.09464	2.8
141.06982	2.4
142.07823	3.4
143.08592	14.9
144.09325	3.1
145.10133	35.4
145.11290	1.8
147.08089	9.5
147.11702	24.8
148.08797	2.0
149.09645	17.5
149.13293	6.6
151.07573	4.5
151.11185	5.7
151.14857	4.0
152.15182	5.2
153.09093	2.1
155.08592	5.7
156.09315	3.6
157.10147	18.2
158.11005	2.2
159.08080	4.6
159.11703	30.4
161.09642	13.8
161.13292	17.7
162.13644	2.0
163.07555	4.7
163.11206	17.4
163.14897	1.7
165.09181	2.5
167.08490	1.6
169.10161	8.0
171.11729	12.8
173.09642	8.5
173.13245	13.3
175.07422	1.6
175.11166	13.4
175.14832	6.8
177.09138	4.6
177.12744	5.3
179.10707	2.5
179.14363	5.3
180.13782	40.2
181.12300	1.8
183.11711	8.6
184.12480	1.7
185.09677	1.7
185.13312	13.0
187.11191	7.4
187.14844	8.1
189.12732	13.2
189.16370	7.8
191.10724	3.3
191.14333	2.4
195.11690	1.6
196.17081	1.5
197.13275	8.8
199.11201	1.8
199.14752	8.8
200.15685	1.9
201.12773	9.3
201.16388	2.2
203.10674	4.0
203.14355	20.5
205.12308	1.8
207.11803	1.7
207.13893	2.2
209.13336	1.9
211.11137	2.3
211.14841	5.3
213.16405	7.2
215.14383	6.7
215.17998	3.7
217.12341	2.1
217.15887	22.8
218.15350	1.9
218.19508	1.4
219.13818	1.9
219.15758	3.4
221.11717	2.9
223.14865	2.2
225.12819	2.6
225.16469	6.8
227.14400	3.0
229.12112	1.9
229.15907	2.5
239.14301	1.7
239.17975	2.0
241.15985	3.9
243.13776	2.1
243.17442	8.6
243.21049	4.0
247.15195	1.7
253.19579	11.5
255.21152	1.7
257.15854	1.7
257.19019	5.2
259.17181	2.2
263.17926	2.2
271.20563	16.7
281.19064	16.0
289.21762	2.5
299.20081	71.1
302.04242	1.6
317.06659	3.5
317.23004	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2113
Annotation	Bacillariolide II
Peak:m/z	Relative Intensity
50.26455	0.8
53.03931	2.1
55.01860	2.0
55.05513	10.0
57.03440	2.1
57.07062	3.4
59.04993	1.8
65.03949	1.8
67.05506	27.8
69.03416	2.5
69.07071	11.8
69.48160	5.8
71.04986	4.0
79.05495	13.1
81.06590	1.5
81.07057	28.6
83.04975	3.2
83.08616	8.1
85.06547	10.5
91.05481	15.4
93.06484	1.7
93.07047	29.2
95.04964	5.8
95.08607	50.0
96.45432	0.8
97.02898	5.2
97.06528	9.7
97.10149	3.8
99.08080	1.2
103.05471	1.1
105.04545	0.8
105.07028	32.9
107.04972	1.7
107.08597	45.7
109.06531	6.8
109.10159	39.2
111.04443	21.2
111.08098	7.5
115.05335	1.0
117.07011	7.7
119.04953	1.1
119.06124	1.1
119.08581	49.6
121.06499	4.7
121.10143	27.4
123.08077	7.9
123.11726	10.3
125.05982	2.0
125.09622	2.4
128.06256	1.2
129.06992	3.4
131.08569	12.9
133.06500	1.8
133.10132	36.5
135.08061	9.2
135.11714	12.2
137.05997	2.3
137.09616	21.5
137.13226	2.5
139.07539	2.4
139.11171	1.0
142.07800	2.5
143.08548	8.4
144.09315	2.1
145.06509	0.9
145.10135	17.6
147.08057	4.4
147.11693	22.4
149.05919	1.0
149.09618	3.9
149.13222	5.8
151.07544	2.8
151.11188	15.8
153.09074	1.7
155.08542	5.0
156.09348	2.8
157.10126	13.2
158.10895	1.1
159.08055	3.3
159.11702	19.5
160.12509	1.0
161.09612	4.0
161.13268	14.7
163.07455	1.7
163.11151	4.1
163.14833	25.0
165.09108	3.0
165.12784	2.0
167.10757	1.5
168.09351	1.4
169.10168	6.7
170.10938	1.9
171.08078	0.9
171.11694	9.2
173.09633	3.8
173.13252	11.2
175.07573	1.2
175.11203	4.1
175.14835	4.5
177.09094	2.7
177.12730	2.5
177.16394	1.6
178.13503	1.5
179.10698	3.1
181.10118	2.2
181.12173	2.6
182.10942	1.1
183.11728	8.0
185.09639	2.6
185.13231	6.7
187.11206	11.7
187.14816	7.8
189.09087	1.6
189.12752	1.3
189.16423	5.3
191.10695	3.0
191.14319	1.2
193.12291	3.5
195.11720	2.2
196.12494	1.3
197.13319	7.5
199.11209	2.7
199.14774	6.3
201.09010	1.4
201.12669	4.2
201.16348	6.0
203.10649	3.5
203.14268	1.5
205.10396	1.2
205.12209	7.3
205.15904	5.6
207.13815	1.4
207.17485	1.9
209.13277	1.1
210.14058	1.4
211.11171	2.9
211.14857	6.1
213.12727	1.9
213.16388	7.1
215.10678	2.5
215.14331	3.7
215.17969	3.8
217.12285	2.7
219.13686	4.5
219.17494	1.1
221.13278	1.4
224.15625	1.2
225.12717	3.2
225.16293	1.1
227.14445	1.9
227.17963	1.5
229.12296	6.5
229.15807	1.6
229.19577	2.8
231.13779	1.3
233.15361	1.5
237.16426	1.9
239.14395	2.2
239.17975	7.0
241.15796	1.3
243.13805	4.8
243.17500	1.2
243.21031	1.7
245.15450	3.2
247.13301	1.9
253.19504	5.9
255.17442	3.1
255.21162	1.5
257.15472	3.0
257.19003	13.2
259.17166	1.6
263.17963	1.1
271.16827	0.8
271.20615	7.0
273.18460	3.6
275.20102	17.3
281.19012	8.2
289.21640	1.8
299.20068	45.9
317.21127	100.0
317.24243	3.5
318.21524	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03946	2.3
55.01867	2.8
55.05505	13.2
57.03430	1.5
57.07077	6.8
60.04517	4.4
65.03930	2.8
67.05508	45.9
69.03425	5.9
69.07071	61.4
70.06593	1.8
70.63747	2.7
71.04979	4.1
74.06065	3.9
77.03918	1.5
79.05498	16.3
81.03400	2.1
81.06592	2.4
81.07058	47.5
83.04972	3.2
83.08633	7.2
85.06524	3.9
88.07632	9.7
89.07963	1.8
91.05479	22.1
92.88185	1.6
93.07047	32.6
93.07629	1.7
94.35764	1.4
95.04990	6.9
95.08610	75.7
97.02898	7.1
97.06543	23.6
97.10151	2.4
98.09926	1.3
105.07034	40.7
107.04957	3.0
107.08591	40.8
109.06522	8.9
109.10162	79.5
111.04449	23.2
111.08090	6.3
113.09653	1.8
115.05495	1.9
117.07021	9.4
119.04990	1.8
119.08586	90.8
121.06511	9.7
121.10159	24.3
123.08070	13.0
123.11716	25.2
125.06005	4.0
129.07010	5.5
131.08562	18.0
133.06494	8.2
133.10136	34.5
135.04439	1.6
135.08060	9.8
135.11700	13.2
137.05997	3.3
137.09625	36.8
137.13257	21.1
139.07516	4.6
139.11137	4.0
141.07021	3.8
142.07790	4.0
143.08574	15.9
144.09340	2.2
145.06468	4.2
145.10132	27.7
147.04442	3.3
147.08051	14.4
147.11700	25.0
149.09608	4.3
149.13268	4.6
151.07559	6.4
151.11174	13.3
153.09114	6.3
155.08549	6.7
156.09370	3.0
157.10138	17.3
159.08058	4.9
159.11700	23.8
161.05942	1.5
161.09668	7.3
161.13252	14.0
163.07545	4.1
163.11189	5.1
163.14816	3.2
165.09116	5.9
165.12714	4.2
167.10670	1.8
169.06779	1.5
169.10181	8.4
170.10933	1.9
171.08101	2.7
171.11693	11.7
173.09618	7.5
173.13251	16.2
175.07574	4.2
175.11188	4.0
175.14828	5.7
177.09181	3.4
179.07130	2.0
179.10677	5.3
181.10196	2.7
181.12225	3.3
182.10896	2.3
183.08104	1.8
183.11720	9.6
184.12422	2.1
185.09615	2.9
185.13268	8.3
187.07596	1.6
187.11221	7.3
187.14816	9.6
189.09166	2.4
189.12790	5.6
189.16333	4.4
191.10678	2.2
195.11670	3.6
197.13281	10.5
199.11185	4.0
199.14830	6.6
201.09184	2.1
201.12781	11.7
201.16396	6.6
203.10670	6.0
203.14320	2.3
205.12271	5.5
205.15900	4.8
207.10083	1.9
207.13902	2.5
211.11325	1.8
211.14844	6.2
213.12778	2.6
213.16412	4.4
215.10728	5.1
215.14264	7.4
215.17958	6.2
217.12259	10.7
219.13771	4.2
219.17459	2.2
221.15356	5.4
223.14877	1.7
225.12714	6.2
229.12277	6.2
229.15904	3.5
229.19560	5.0
231.13858	11.2
233.15440	4.5
235.13330	5.8
239.14331	5.8
239.17982	6.2
241.15813	2.4
243.13837	24.3
243.21042	2.1
247.16930	1.9
249.14725	2.7
253.19527	8.7
257.15366	3.7
257.18991	12.2
259.16983	3.3
261.14896	20.4
271.17529	1.9
271.20593	8.7
271.28201	2.7
273.18552	2.1
275.20084	21.1
279.15952	2.2
281.18951	11.3
289.21661	2.0
299.20074	44.8
317.21133	100.0
317.28836	16.2
317.32492	6.2
318.21548	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	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03928	2.5
55.01861	3.6
55.05512	13.2
57.03431	1.9
57.07071	6.1
59.04990	5.3
60.04523	12.2
65.03928	2.8
67.05506	49.3
69.03423	6.2
69.07071	6.9
70.02081	2.5
70.02473	3.0
71.04987	3.0
74.11157	1.1
79.05490	11.0
81.03401	1.6
81.07057	30.8
83.04968	2.2
83.08610	4.0
85.06544	3.0
91.05475	14.5
93.07050	21.0
94.36008	1.1
94.68095	1.3
95.04972	24.8
95.08616	22.7
97.06523	7.0
105.07037	14.7
107.08590	39.5
108.05721	1.6
109.06521	16.7
109.10159	88.8
117.06999	4.6
119.08583	54.1
120.37849	1.2
121.06506	4.1
121.10130	8.3
123.08070	24.2
125.06023	2.5
125.09602	1.7
128.06232	1.7
131.08563	5.6
133.06493	4.0
133.10159	9.7
135.01930	1.5
135.08047	10.3
135.11742	2.4
137.05936	2.7
137.09616	70.8
139.07527	1.6
143.08572	4.4
145.10126	9.1
147.08066	4.5
147.11705	5.1
149.09613	5.5
151.07545	59.6
153.05489	4.9
155.08568	2.1
156.09337	3.5
157.10144	3.8
159.08107	2.4
159.11710	6.5
161.09630	6.6
161.13185	1.6
163.07541	2.1
163.11188	4.6
165.09137	5.8
167.06987	3.0
169.10211	1.9
171.08070	1.3
171.11708	5.4
173.09535	2.3
173.13284	3.5
175.11211	4.3
175.14783	1.9
177.09140	3.0
179.10669	1.4
181.08627	4.7
181.12215	3.6
182.10945	1.5
183.11642	2.5
189.12764	26.7
191.10751	1.7
191.14389	2.5
197.13318	2.8
199.11227	3.6
201.12793	1.7
203.14391	2.4
207.13788	25.8
213.16360	1.4
215.14328	3.9
217.12233	2.2
217.16071	1.6
219.13857	1.6
221.15363	3.3
225.12766	1.6
233.15379	5.0
237.14972	5.2
243.13831	8.6
259.17056	1.5
261.14877	5.5
281.19101	4.1
281.26602	1.6
299.20041	13.2
299.27704	1.6
317.21158	100.0
317.28662	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	317.2112
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
51.90554	1.4
53.03942	2.6
55.01859	1.8
55.05516	9.5
55.99895	1.1
57.07067	5.9
59.04988	3.9
62.38997	1.5
67.05509	47.5
69.03418	3.9
69.07053	6.1
69.98895	4.5
70.06556	1.5
71.04983	5.1
79.05495	7.5
79.55496	1.3
81.03445	1.6
81.07062	28.9
83.04965	4.4
83.08616	5.1
85.06537	3.0
88.07629	2.2
88.39618	1.6
91.05486	12.3
93.07056	18.5
93.19072	1.3
95.04977	24.8
95.08614	19.8
97.06545	8.3
98.21432	1.9
105.07039	14.2
106.26149	1.4
107.08603	37.6
109.06525	15.7
109.10164	76.2
111.08105	2.0
117.06999	3.3
119.08585	46.8
121.06511	6.2
121.10170	9.4
123.08066	23.0
125.06039	1.9
125.09621	2.7
129.06995	1.6
131.08577	7.7
133.06505	3.7
133.10124	8.0
135.08066	10.9
135.11742	3.1
137.06020	1.8
137.09622	63.0
139.07552	2.3
141.06989	2.6
142.07767	1.8
143.08580	4.7
145.10135	12.0
147.08055	3.6
147.11656	7.6
149.09631	5.7
151.07553	54.8
153.05440	5.6
153.09103	1.7
156.09366	2.3
157.10149	5.3
159.08040	2.6
159.11705	5.7
161.09665	11.7
161.13228	3.3
163.07492	1.6
163.11194	5.0
165.09126	5.4
167.07004	2.3
169.10080	2.1
171.11700	5.5
172.08926	1.4
173.09647	3.1
173.13258	3.0
175.11224	2.8
177.09087	2.6
177.12761	2.3
177.20306	1.7
179.10732	2.1
181.08640	4.2
181.10112	1.7
181.12241	1.9
183.11740	2.5
185.13277	2.2
187.11206	2.7
189.12764	25.1
191.14319	1.7
195.11688	2.1
197.13281	3.7
199.11227	3.2
201.12767	1.5
203.14342	2.4
207.13824	23.6
213.12773	1.4
213.16422	1.4
215.10558	1.5
215.14360	3.9
219.13945	1.9
221.15340	3.9
223.14841	1.5
225.12787	2.5
233.15364	5.6
237.14890	6.1
243.13864	9.3
256.26392	2.6
257.19122	2.0
259.16998	3.6
261.14914	5.6
281.18985	1.8
299.20038	15.5
317.21140	100.0
318.21475	1.7
318.30051	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	317.2113
Annotation	Bacillariolide II
Peak:m/z	Relative Intensity
50.41127	0.7
51.02384	0.8
53.03959	0.6
53.64135	0.7
55.01891	0.9
55.05511	9.0
55.27167	0.7
57.03437	1.5
57.07065	1.7
59.05001	2.5
60.73190	0.6
65.03944	1.8
67.05507	21.0
69.03438	1.9
69.06738	0.7
69.07074	10.7
70.11386	2.5
71.04994	4.8
79.05499	11.4
81.03405	0.8
81.07059	25.3
83.04990	3.6
83.08633	6.0
85.06551	7.9
88.07605	1.0
91.05483	15.4
93.06485	1.4
93.07046	23.4
93.40458	0.6
95.04993	4.0
95.08613	38.7
97.02883	2.7
97.06538	7.6
97.10182	3.4
99.08093	1.5
103.05485	0.9
105.07037	27.2
105.76157	0.6
106.08662	0.8
107.04982	2.7
107.08601	39.6
109.06519	5.6
109.10162	35.9
111.03716	1.4
111.04453	19.2
111.08088	6.2
111.11704	0.8
113.09646	1.4
115.05434	0.8
117.07041	5.1
119.04935	0.6
119.08588	46.8
121.06519	4.1
121.10153	21.8
121.80148	0.6
123.08086	7.3
123.11722	8.5
125.05998	3.5
125.09636	2.0
128.06210	1.0
129.06999	2.6
130.07848	0.7
131.08578	9.3
133.06485	2.8
133.10135	30.1
135.08070	7.9
135.11693	11.1
137.05959	2.1
137.09622	19.5
137.13260	1.4
139.07524	2.9
139.11092	1.3
141.07013	1.5
142.07768	1.3
143.08571	8.7
144.09354	1.6
145.06494	1.0
145.10135	14.8
146.10925	1.0
147.08055	3.7
147.11694	18.2
148.12120	0.8
149.09637	2.8
149.13260	4.6
151.07582	2.7
151.11188	14.4
153.09068	1.4
155.08647	3.3
156.09366	2.4
157.10133	9.6
159.08093	3.7
159.11708	18.8
161.09636	3.4
161.11972	1.1
161.13260	10.2
163.07542	1.6
163.11211	4.0
163.14835	17.8
165.09146	2.8
165.12738	1.9
167.08556	1.2
167.10648	1.4
169.10129	4.8
170.10913	1.3
171.08124	1.2
171.11711	9.5
172.12520	0.7
173.09622	3.6
173.13268	9.4
175.11188	3.3
175.14879	4.3
177.09119	1.4
177.12776	1.5
177.16379	2.1
178.13536	1.7
179.10669	3.0
181.10114	2.0
181.12251	1.8
182.10941	1.4
183.11682	6.0
184.12357	1.0
185.09712	3.2
185.13239	5.5
187.11177	7.5
187.14809	5.7
188.15578	0.9
189.09094	1.2
189.12773	2.2
189.16394	4.2
191.10634	3.8
191.14354	1.8
193.12250	2.0
195.11693	2.1
197.09624	1.3
197.13232	8.1
199.11243	2.5
199.14847	5.7
201.09169	1.2
201.12753	4.5
201.16341	5.2
203.10692	2.8
203.14320	1.1
205.12274	6.9
205.15955	4.6
207.13847	1.2
207.17476	2.1
209.13284	1.6
210.13899	0.7
211.11203	2.9
211.14784	4.8
213.12770	1.7
213.16342	4.4
215.10678	2.7
215.14331	2.7
215.18008	3.8
217.12238	3.2
217.15822	1.0
219.13791	2.9
219.17319	1.2
223.14877	0.9
225.12730	2.5
225.16397	0.9
227.14374	2.4
227.17889	1.3
229.12259	7.4
229.15866	1.6
229.19507	3.4
231.13835	2.0
233.15424	1.3
237.16344	2.6
239.14282	2.9
239.17944	6.2
241.15924	0.9
243.13861	4.2
243.17479	0.8
245.15353	3.0
247.17038	0.9
253.15897	1.0
253.19528	6.6
255.17412	2.2
255.21115	0.8
257.15457	2.6
257.19006	10.7
259.17065	1.2
262.14334	1.0
263.17911	1.4
271.17648	1.2
271.20572	7.9
273.18457	3.1
275.20056	17.4
281.19043	8.0
289.21643	2.3
299.20071	46.7
317.21133	100.0
318.21512	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
52.70777	1.4
53.03950	1.5
55.01863	2.6
55.05313	1.2
55.05510	13.4
57.07067	5.1
58.33432	1.2
59.04992	3.6
61.17713	1.3
62.13448	1.4
65.03905	1.4
67.05508	42.6
69.03418	5.9
69.07056	4.6
69.84282	3.4
69.84704	4.2
71.04996	2.0
79.05502	10.2
81.07058	22.1
83.04960	4.7
83.08620	6.0
84.97503	1.3
85.06528	4.1
91.05482	13.1
93.07043	18.6
95.04972	22.3
95.08610	20.0
97.06561	8.7
100.42201	1.5
100.42865	1.4
105.07043	16.8
107.04996	1.5
107.08604	33.7
109.06525	14.1
109.10162	76.0
111.08086	3.1
117.07013	5.6
119.08588	49.0
121.06516	5.9
121.10145	12.1
121.80124	1.3
123.08076	23.2
125.05957	3.0
125.09615	3.0
128.06279	2.3
130.07745	1.6
131.08577	7.0
133.06529	2.9
133.10135	10.0
135.08075	11.3
135.11681	2.6
137.09621	57.7
139.07619	2.0
142.07808	1.6
143.08572	5.3
145.06569	1.4
145.10106	10.7
147.08034	3.6
147.11699	5.7
149.09619	5.4
149.13213	1.3
151.07550	56.7
153.05453	6.0
155.10716	2.1
156.09372	3.3
157.10132	4.5
159.08069	2.3
159.11655	5.4
161.09624	10.3
161.13281	2.5
163.11205	5.5
165.09100	5.6
167.07022	3.9
169.10187	3.2
171.11725	7.2
171.63654	1.3
173.09618	3.1
173.13211	3.7
175.11218	4.1
175.14828	2.1
177.09119	3.1
177.12769	1.8
179.10715	2.7
181.08624	3.9
181.12186	3.0
183.11720	3.5
185.13326	2.3
187.11148	1.4
187.14745	1.5
189.12758	23.4
191.10744	1.5
191.14334	3.4
195.13763	2.0
197.13297	1.6
199.11150	2.8
201.12790	3.2
207.13808	25.4
213.16429	1.5
215.14375	4.5
217.15891	2.0
219.13911	2.9
221.15407	6.5
233.15413	5.6
237.14838	6.5
243.13763	9.3
259.16974	2.1
261.14862	5.3
281.18958	2.7
299.20120	13.5
317.21140	100.0
318.21490	1.9
318.30090	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Cinerin I
Peak:m/z	Relative Intensity
53.03939	1.4
54.02193	0.5
55.01864	1.3
55.05518	3.2
57.07079	0.6
59.04987	1.0
65.03926	1.0
67.05509	5.1
69.03439	4.7
69.07068	7.5
70.06594	0.8
70.22092	1.9
71.05013	0.7
78.30939	0.6
79.05489	6.9
81.07063	6.6
83.04996	1.3
83.08652	1.5
84.08155	1.6
85.02922	1.2
85.06558	0.8
91.05486	12.4
93.07046	19.9
95.04970	100.0
95.08601	6.6
97.06547	3.4
97.10179	0.7
105.07027	14.3
106.07368	1.9
107.05000	0.7
107.08590	16.6
109.06514	3.4
109.10160	3.0
110.07159	0.7
111.08037	0.7
111.11718	1.8
115.05436	1.3
116.06243	1.6
117.07050	1.0
119.04968	1.1
119.08570	6.7
121.06505	9.7
121.10146	30.0
123.04440	0.8
123.08093	2.4
123.11695	1.8
125.05988	0.8
125.09634	1.6
126.03989	0.6
128.06271	0.7
129.07011	2.0
131.08577	13.3
133.06532	0.9
133.07628	0.9
133.10121	4.8
135.08060	3.5
137.06013	0.7
137.09616	1.5
139.11191	1.4
142.07841	0.8
143.08623	3.4
145.06516	0.7
145.10091	3.2
147.08104	1.3
147.11676	2.4
149.09612	13.0
151.11139	0.7
155.08513	0.9
156.09361	1.6
157.10170	2.6
159.08061	26.4
159.11687	1.9
161.09673	2.9
163.11224	0.8
167.10681	49.7
169.10136	0.7
171.11775	2.5
173.09631	1.2
173.13277	1.2
174.10432	0.9
175.11240	2.1
177.09073	4.4
182.11014	0.8
185.09636	0.8
185.13255	1.0
187.14870	0.8
189.12737	1.6
191.14500	0.8
197.13292	1.8
199.11206	1.0
199.14920	1.1
203.14354	0.7
207.11696	1.0
215.14340	1.9
217.76471	0.6
221.13188	0.8
221.15343	1.0
222.08099	0.6
225.12781	1.6
233.13234	1.2
233.15364	7.1
253.19591	0.7
259.16974	1.9
263.18021	1.1
281.19128	3.0
299.20132	4.3
306.47656	0.6
317.06693	1.3
317.21185	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	317.0657
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
51.29042	0.2
53.03962	0.3
55.05520	1.6
65.03934	0.5
67.05502	3.1
68.05817	0.3
68.19264	0.3
68.99790	0.4
69.03426	0.3
69.07071	1.7
70.06577	1.3
71.04978	0.6
71.51421	0.4
72.08150	0.3
76.89309	0.2
79.05496	1.8
81.03427	0.4
81.07055	3.6
83.04966	0.5
83.08609	0.6
84.08135	1.1
85.06546	0.4
86.09706	0.5
87.04517	0.2
91.05479	1.9
92.02615	2.1
93.03417	2.3
93.07045	3.5
95.04976	0.7
95.08612	3.4
96.08914	0.3
97.06541	0.4
98.97569	0.3
99.04491	0.4
103.05430	0.5
105.07036	4.0
106.07365	0.8
107.04951	0.5
107.08588	3.9
109.02878	0.9
109.06492	0.7
109.10175	2.0
110.07150	0.3
110.10515	0.3
111.00763	0.4
111.08049	0.3
117.07012	0.4
119.08587	2.4
119.24786	0.3
120.08102	0.4
121.02851	2.4
121.06512	2.3
121.10164	2.9
122.06034	0.4
122.06852	0.9
123.04405	0.5
123.08131	0.4
123.11722	0.6
126.03115	0.9
131.08551	0.6
133.10141	2.0
135.08044	0.4
135.11682	2.9
137.02332	0.5
137.09607	0.5
138.09123	0.6
139.03932	1.2
143.08609	0.4
145.10098	1.0
147.08069	0.4
147.11682	0.8
149.09630	0.6
149.13257	0.6
151.03908	1.5
151.14787	0.3
152.00949	0.3
153.01837	15.6
157.10175	0.4
159.11685	0.8
161.13254	0.4
163.07515	0.3
165.01831	1.0
172.88185	0.3
173.13255	0.4
175.07500	0.3
175.14775	0.8
177.05449	0.5
180.13882	1.0
183.02896	0.4
183.04382	0.3
185.13176	0.3
189.05374	0.3
200.04712	0.4
201.05476	1.5
201.16385	0.3
203.03397	1.2
203.17975	0.8
207.13683	0.4
217.04962	2.6
218.05785	1.3
219.02905	0.6
228.04163	3.3
229.04974	6.4
231.02927	0.9
243.06580	0.3
245.04474	3.1
246.05231	3.0
246.18495	0.7
256.03589	0.3
257.04425	4.5
260.03146	0.5
261.07565	0.5
271.05994	0.6
273.03943	3.2
274.04712	6.4
276.00647	0.3
284.03232	0.8
285.03909	7.1
285.12326	0.4
287.01947	0.4
299.20059	1.0
301.03354	0.4
302.04230	21.0
316.22809	0.7
317.06561	100.0
317.22098	1.2
317.24881	1.0
318.06839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14831	0.1
55.01853	0.1
58.09925	0.1
62.86951	0.1
65.03953	0.6
67.05488	0.1
68.33459	0.1
68.99812	0.5
69.93142	0.4
70.06613	0.1
70.17489	0.1
79.05521	0.1
79.55757	0.1
81.03429	0.1
81.07050	0.1
84.08159	0.1
91.05499	0.1
92.02057	0.2
92.02631	2.5
93.03416	2.2
93.07055	0.1
94.04184	0.2
94.31041	0.1
95.01345	0.2
95.04932	0.1
105.07025	0.2
107.04944	0.1
109.02905	0.2
111.00795	0.3
119.04858	0.1
121.02882	1.9
121.06538	0.2
122.03657	0.2
124.01528	0.1
126.03139	0.9
131.04924	0.2
133.02882	0.2
137.02350	0.4
137.06000	0.2
138.09232	0.1
139.03915	1.1
145.06497	0.2
145.27156	0.1
149.02330	0.1
150.03125	0.2
151.03900	0.9
152.01027	0.2
153.01839	15.0
155.04915	0.2
161.06062	0.2
163.03960	0.5
164.07059	0.2
165.01872	1.1
166.02684	0.3
166.08658	0.2
173.05936	0.3
176.04704	0.1
177.01930	0.1
177.05495	0.4
179.03447	0.2
183.02904	0.4
183.04384	0.2
187.03899	0.2
189.05519	0.2
190.02661	0.1
190.06248	0.2
192.04225	0.2
200.04686	0.6
201.05515	1.3
203.03397	1.4
204.04207	0.2
215.06816	0.1
217.04974	2.2
218.02280	0.1
218.05771	1.2
219.02864	0.6
228.04189	3.3
229.04982	5.8
231.02831	0.7
232.03700	0.2
233.04440	0.2
243.06473	0.2
245.04475	3.1
246.05251	3.1
256.03723	0.4
257.04462	4.0
258.05173	0.1
259.02530	0.2
260.03226	0.8
261.07672	0.5
271.06049	0.3
272.91949	0.1
273.03955	3.2
274.04739	6.5
281.09293	0.1
284.03278	0.9
285.03955	7.4
286.04749	0.2
287.02036	0.2
288.06293	0.3
299.10291	0.1
301.03452	0.4
302.04236	20.4
303.04440	0.1
317.06573	100.0
318.07050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.03948	0.1
55.01878	0.1
65.01846	0.1
65.03946	0.6
67.01871	0.1
67.05502	0.1
67.53502	0.1
68.99799	0.4
69.26131	0.7
70.06607	0.2
79.05501	0.3
81.03414	0.4
81.07076	0.2
84.08136	0.4
85.02884	0.1
86.09712	0.2
91.05491	0.2
92.02061	0.1
92.02630	2.5
93.03415	2.4
93.07040	0.3
94.07423	0.1
95.01381	0.2
95.04949	0.2
95.08607	0.1
103.05473	0.2
105.07025	0.5
106.07365	0.1
107.08584	0.1
109.02886	1.0
109.06534	0.1
111.00814	0.3
117.07026	0.2
117.11264	0.1
119.08558	0.1
120.08149	0.1
121.02888	2.0
121.06513	2.2
121.07380	0.1
122.03638	0.2
122.06826	0.8
123.04407	0.1
124.05273	0.1
126.03143	0.9
127.79066	0.1
129.10318	0.1
131.04948	0.1
133.02808	0.2
135.04478	0.1
137.02348	0.6
137.05936	0.2
138.09058	0.1
139.03902	1.5
145.06473	0.2
145.10066	0.1
147.04366	0.1
149.02356	0.2
149.09651	0.1
150.03134	0.1
151.03914	1.1
151.05006	0.1
152.01024	0.2
152.14360	0.6
153.01837	15.2
153.14680	0.3
154.02303	0.1
155.04913	0.2
157.06412	0.1
163.03908	0.3
165.01845	1.0
166.02596	0.3
172.05225	0.2
173.05992	0.4
176.04726	0.2
177.05472	0.4
178.02592	0.1
179.03445	0.2
183.02829	0.2
183.04437	0.3
187.03940	0.2
190.06241	0.2
191.10719	0.1
200.04684	0.7
200.10745	0.1
201.05461	1.6
203.03394	1.1
204.04256	0.3
205.04996	0.1
213.05537	0.1
217.04982	2.5
218.05759	1.0
218.11781	0.2
219.02917	0.4
219.12160	0.2
228.04175	3.2
229.04976	6.6
230.05624	0.1
231.02916	1.0
232.03644	0.1
239.03336	0.2
243.06557	0.3
245.04457	3.2
246.05252	3.0
246.07823	0.1
247.02354	0.2
256.03851	0.5
257.04449	3.9
258.05203	0.1
259.02457	0.1
260.03204	0.7
261.07596	0.3
271.06122	0.2
272.20123	1.0
273.00958	0.2
273.03940	3.2
273.20462	1.8
274.04733	6.3
284.03207	0.8
285.03949	7.6
286.04623	0.3
287.01935	0.2
288.06290	0.3
301.03546	0.5
302.04230	20.8
303.04590	0.2
316.22794	1.0
317.06564	100.0
317.22937	2.8
318.06912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
52.61215	0.3
55.01847	0.7
55.05513	4.9
56.05035	3.7
57.03435	0.8
57.07079	2.2
60.04528	100.0
67.05508	9.9
67.05879	0.5
69.03442	0.7
69.07072	5.7
69.78602	2.1
70.06590	1.5
70.69857	0.4
71.08627	1.0
72.04524	1.9
74.06084	1.9
76.84814	0.4
79.05495	4.7
79.05859	0.5
80.05022	0.7
81.03415	0.7
81.07060	9.1
82.06586	1.5
83.04967	0.5
83.08624	3.2
86.06076	0.7
87.04470	0.6
90.05558	1.4
91.05483	3.0
93.07047	3.3
94.06592	1.1
95.04984	1.7
95.08609	8.4
96.08147	0.7
97.06548	0.9
97.10191	1.7
100.07611	0.5
103.05475	0.6
105.07031	9.4
107.08573	3.0
109.06504	0.7
109.10167	6.3
111.08109	0.6
111.11729	0.5
116.07098	1.0
119.08595	3.1
121.06512	1.9
121.10146	2.2
122.09658	0.6
123.08073	1.4
123.11748	0.8
133.10130	1.4
135.11684	1.2
137.09613	1.6
137.13286	0.5
147.07932	0.5
148.11136	0.4
149.09761	0.4
149.83214	0.4
151.07574	1.8
172.51585	0.4
187.14998	0.5
188.57361	0.5
189.12729	0.9
207.13814	1.1
236.23822	0.5
250.25441	1.2
252.26625	0.4
262.25302	1.6
268.26215	0.5
271.45486	0.5
280.26349	13.1
298.27405	14.3
316.19077	4.5
316.28464	52.6
317.21106	3.3
317.28812	0.6
323.91406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
62.49153	0.4
70.06581	0.4
70.85652	0.8
80.05031	0.7
81.07068	0.8
84.08152	1.2
86.09719	0.4
91.05492	4.5
93.03404	0.4
93.07052	7.8
95.05006	0.4
98.06086	0.5
98.09657	0.6
103.05477	3.8
105.07042	4.7
107.04980	0.5
107.08596	0.6
108.08139	0.4
110.09707	1.2
120.08101	0.3
121.06519	76.4
122.09661	1.0
124.11201	0.5
127.58157	0.4
133.12138	0.3
135.11685	0.6
136.11215	2.0
148.28450	0.4
150.12787	1.6
152.14360	31.2
153.01848	1.5
169.53308	0.4
196.16957	2.1
200.10765	2.5
218.11768	3.0
218.15396	1.0
229.05043	0.6
230.15559	0.4
233.16437	0.5
242.15425	1.0
245.04375	0.5
246.05266	0.5
272.20117	85.9
273.04062	0.5
273.20364	1.0
274.04764	0.7
285.04056	0.5
302.04138	2.2
316.22736	100.0
317.06631	10.1
317.23044	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01871	0.8
55.05509	5.6
57.03429	3.0
57.07063	1.9
59.05004	0.8
65.03927	1.3
67.05507	32.8
69.03420	1.6
69.07068	3.5
70.06573	0.9
70.68418	1.7
71.04986	1.9
79.05498	15.1
80.43815	0.5
81.07054	22.0
83.04974	1.4
83.08633	1.6
85.06535	0.6
91.05482	11.0
93.07047	19.9
95.04966	4.9
95.08607	46.4
97.06536	1.2
103.05459	2.8
105.04507	0.9
105.07030	15.8
107.08597	6.5
109.06514	2.4
109.10157	24.3
111.08080	0.7
115.05425	0.7
117.07018	1.5
119.04848	0.6
119.08587	13.4
121.06508	61.7
121.10133	2.8
123.08069	3.3
123.11700	0.9
126.09166	0.6
131.08598	0.6
133.10120	2.8
135.11707	3.7
136.07584	2.5
137.09618	5.8
138.09129	7.5
145.26317	0.5
149.13226	1.0
151.14833	8.0
161.13257	3.2
167.50331	0.5
175.12746	0.6
179.14299	5.6
196.16988	1.9
218.15405	1.7
228.06473	0.6
246.15027	2.7
256.06097	1.6
299.19940	0.6
316.19525	3.7
316.22711	100.0
317.23035	0.9
330.04773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.9
56.05024	1.7
65.81724	1.3
67.05482	2.5
68.05029	4.4
69.07072	2.7
69.23061	8.2
69.23483	4.5
70.06572	2.4
79.05487	9.7
79.76107	1.3
80.05027	3.3
81.07049	12.1
82.06568	4.5
84.57176	1.5
86.06061	3.7
91.05484	3.4
93.07044	5.4
93.77700	1.4
94.40782	1.4
95.05016	1.8
95.08593	2.1
103.05455	4.1
105.07034	94.0
106.08658	2.6
108.08126	5.2
110.09684	100.0
120.08099	1.9
122.09632	1.3
132.49631	1.4
134.09666	1.8
140.04065	1.4
151.63797	1.3
160.11076	1.8
169.14638	1.5
178.85681	1.4
184.51213	1.5
186.12729	2.5
200.14334	2.2
201.15131	39.2
202.15996	7.2
254.24805	19.2
270.22159	65.3
316.19339	2.7
316.22705	13.9
316.28574	3.4
316.32028	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	316.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
54.51091	0.4
55.05502	1.9
56.05024	1.2
67.05497	2.1
67.65189	0.4
68.05031	3.4
69.07076	5.4
70.74930	0.5
75.06931	0.4
77.03918	0.4
79.05491	6.8
80.05019	2.3
80.31319	0.4
81.05825	2.5
81.07057	14.7
82.06584	4.2
83.08621	0.6
91.05482	13.8
93.07042	4.8
94.06590	1.0
95.04933	0.6
95.07347	1.8
95.08624	2.6
96.08111	0.9
98.09698	2.8
103.05471	2.8
104.06232	0.8
104.25890	0.5
105.07035	60.1
107.08607	1.0
108.08126	4.2
109.10159	1.3
110.09686	100.0
111.08073	0.6
117.07022	2.8
120.08099	4.5
128.00597	0.5
129.06985	1.3
131.08549	1.0
134.09671	1.7
145.09001	0.6
145.10086	0.6
146.07285	0.5
160.11284	3.1
178.15962	1.3
186.12807	4.2
190.54874	0.5
200.14365	4.9
201.15137	34.1
202.15926	14.4
230.15305	1.2
270.22180	37.3
273.29285	0.6
298.21707	4.2
316.22714	8.9
320.87750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2233
Annotation	Leu Ala Ile
Peak:m/z	Relative Intensity
56.05048	0.5
69.06728	0.5
69.07074	5.1
70.06593	0.9
72.08174	0.5
84.04515	0.4
84.08162	1.9
84.46278	0.3
86.09714	100.0
87.10039	0.4
89.07187	0.5
98.21609	0.5
103.05571	0.3
114.09155	0.5
120.08068	0.4
125.86092	0.3
129.10258	0.8
130.19191	0.4
132.10226	4.7
133.06470	0.4
134.06741	0.3
157.13380	54.5
185.12875	27.2
185.14618	0.7
203.13928	3.5
217.80939	0.3
245.18628	1.0
316.16446	0.6
316.22565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2235
Annotation	Ile Ile Ala
Peak:m/z	Relative Intensity
53.92909	0.2
55.05508	0.3
57.05816	0.3
60.04528	0.7
67.15417	0.2
69.03415	0.2
69.07071	5.7
69.77732	0.8
69.78136	0.4
70.06598	2.4
72.08162	4.3
73.20597	0.2
82.73013	0.2
83.86829	0.2
84.04510	0.4
84.08154	2.0
86.09711	100.0
87.05603	0.4
87.10048	0.6
91.05447	0.2
98.20749	0.2
104.61008	0.2
108.08122	0.2
114.09200	0.2
116.07102	2.7
120.08120	0.6
129.10257	0.9
154.08630	0.8
169.46045	0.2
171.14952	1.3
173.12852	1.0
199.14386	1.0
199.18071	25.7
201.12427	0.3
203.13927	9.0
217.15646	0.2
227.17561	14.4
286.43271	0.2
316.18686	0.3
316.22305	0.7
330.60049	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36206	0.2
51.29909	0.2
55.01857	0.2
56.05040	0.3
59.66586	0.3
67.00326	0.2
69.07071	0.7
70.06596	1.9
70.65968	0.5
70.66316	0.6
72.08156	0.9
84.04514	0.3
84.08153	1.4
86.09708	100.0
87.10015	0.5
89.14008	0.3
90.03333	0.3
120.08105	1.0
129.10255	0.4
132.10201	5.7
138.85437	0.3
157.13365	56.8
170.06094	0.3
185.12862	30.9
186.13264	0.3
203.13951	1.0
218.12839	0.5
219.15390	0.3
245.18611	3.7
257.31381	0.3
307.70462	0.4
316.22214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1956
Annotation	DACP analog of retinoic acid
Peak:m/z	Relative Intensity
51.89756	1.2
55.01860	1.3
55.05506	5.2
55.87830	1.1
56.44432	1.2
57.07066	3.7
59.05005	100.0
62.06117	1.6
67.05503	6.7
69.07071	7.9
70.86127	3.2
79.05498	6.8
81.07060	7.6
83.04980	1.9
83.08633	3.4
85.06534	1.5
91.05485	22.1
93.07059	7.6
95.04992	1.4
95.08605	4.6
97.06516	1.7
103.05451	1.3
105.07035	60.4
107.08611	7.0
109.06522	2.3
109.10148	3.2
111.04440	15.7
114.82616	1.3
117.07038	11.0
119.08585	13.3
121.06564	1.7
121.10168	6.0
128.06226	3.7
129.06979	8.8
131.08577	32.1
133.10127	4.6
135.08080	12.8
135.11702	1.9
141.06981	6.0
142.07803	7.4
143.08565	19.3
144.09323	4.3
145.10126	18.3
147.08058	2.3
147.11705	3.2
149.09644	2.2
155.08559	36.4
156.09328	7.2
157.10138	40.1
158.10863	1.7
159.11697	47.7
161.09665	1.9
161.13239	5.1
163.14771	1.7
165.06998	4.0
166.07797	1.9
167.08585	3.9
168.09346	2.3
169.06378	1.3
169.10149	10.7
170.10890	2.0
171.08124	1.8
171.11699	24.8
173.13304	7.7
175.14818	4.4
179.08588	5.8
180.09315	2.6
181.10149	16.3
182.10797	2.0
183.08038	3.6
183.11671	12.3
184.12488	1.8
185.09650	2.3
185.13274	10.9
186.13913	1.3
187.11206	3.4
187.14853	2.1
193.10114	6.3
194.10873	3.3
195.11708	17.0
196.12413	3.7
197.09656	3.8
197.13257	6.5
199.11108	3.0
199.14882	2.5
203.10713	1.3
203.14250	1.6
205.10179	1.5
205.15900	3.0
206.10950	2.0
207.11679	2.9
208.12468	2.2
209.13243	12.7
211.11156	4.4
211.14830	34.6
213.12999	2.1
213.16386	37.8
217.10150	1.5
217.12259	1.7
217.15921	1.3
219.11731	1.4
220.12434	1.9
221.13289	7.2
222.14021	1.4
223.11086	2.5
223.14761	3.3
225.12938	1.3
225.16512	1.8
227.17899	14.1
229.19504	1.9
235.14871	10.7
237.12756	2.8
237.16385	29.6
239.14384	9.6
246.13951	1.7
251.18031	8.7
253.15935	9.6
255.17455	25.3
257.15399	7.2
259.28262	3.7
261.16479	8.0
269.19177	2.4
273.15073	1.4
273.18512	7.6
279.17416	18.2
297.18463	16.2
314.34369	2.3
315.19543	13.3
315.34528	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	315.1954
Annotation	DACP analog of retinoic acid
Peak:m/z	Relative Intensity
55.01876	2.9
55.05497	3.4
57.07077	2.7
59.05003	100.0
60.49761	1.5
64.14967	1.4
65.03943	1.6
67.05511	7.2
69.07049	6.3
69.94080	6.1
72.95517	1.4
73.64916	1.2
79.05479	5.3
79.34068	1.2
79.70307	1.4
81.07053	6.6
83.04988	3.8
83.08607	3.9
91.05480	19.7
93.07052	8.3
93.52560	1.4
95.08591	4.9
96.88038	1.5
99.85445	1.4
105.07035	57.1
107.08617	7.0
109.06502	3.5
109.10146	3.6
111.04440	14.9
115.05476	1.9
117.07007	8.8
119.08591	11.3
121.10133	4.2
125.91436	1.5
128.06209	2.2
129.07016	10.0
130.07782	2.8
131.08580	32.5
133.10126	5.7
135.08073	10.4
141.07016	7.7
142.07779	5.5
143.08563	18.1
144.09280	2.8
145.10139	18.9
147.08031	1.8
147.11662	1.9
149.09618	2.3
154.07780	2.3
155.08553	40.6
156.09302	4.9
157.10133	39.3
159.11703	46.6
161.09628	1.8
161.13177	4.3
165.06987	1.9
166.07771	1.7
167.08525	5.0
168.09337	2.7
169.10132	12.5
169.91823	1.5
170.10892	1.7
171.07986	1.6
171.11674	28.1
173.13235	6.5
175.14806	3.8
179.08611	7.2
180.09306	2.5
181.10141	16.0
182.10950	2.7
183.08060	2.9
183.11696	12.0
185.09630	3.0
185.13240	10.6
187.14906	3.0
193.10165	7.1
194.10924	2.1
195.11705	15.9
196.12463	4.5
197.09589	3.2
197.13249	6.0
199.14850	1.7
205.10036	3.7
205.15942	2.8
207.11659	4.5
209.09749	2.6
209.13255	11.9
211.11232	3.3
211.14822	32.6
213.13087	1.9
213.16391	32.3
217.12352	2.0
220.12473	3.2
221.13245	6.6
222.14084	2.3
223.11154	4.2
223.14833	3.1
225.16386	2.9
227.17928	13.3
229.19539	2.1
235.14783	8.0
236.15422	1.4
237.12785	1.7
237.16371	28.5
239.14388	9.3
251.17911	6.3
253.15886	10.2
255.17421	26.8
257.15405	6.7
261.16376	9.0
273.18475	8.3
279.17444	22.8
297.18466	18.2
315.19370	26.1
315.34546	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	315.123
Annotation	Ponganone VII
Peak:m/z	Relative Intensity
51.13466	0.3
53.03952	0.7
55.01877	4.6
55.05507	0.5
56.96578	0.3
57.03436	3.1
61.87688	0.3
64.55325	0.3
65.03927	1.3
67.05507	2.7
68.99794	6.8
69.03440	3.1
69.07056	1.2
70.06589	1.0
70.13552	0.8
70.13952	0.4
71.05006	0.3
72.08144	0.3
79.05499	4.5
81.03423	0.4
81.06589	0.6
81.07062	10.6
84.08144	1.2
85.02887	0.4
86.09701	0.8
91.05489	11.5
93.07053	2.0
94.04189	0.8
95.04974	5.9
95.08609	0.8
97.06544	0.4
98.97568	0.4
103.05485	2.2
105.04552	0.3
105.07036	13.8
107.04947	2.5
107.08604	1.0
108.08130	0.7
109.02897	1.6
109.06527	16.0
109.10143	0.8
110.07118	0.4
111.04427	0.7
117.06985	0.4
119.04953	6.9
119.08575	1.1
120.04420	0.3
120.08059	0.5
121.06493	1.7
121.10152	0.8
122.09654	0.4
123.04435	8.4
123.08107	0.5
123.11701	0.3
128.06207	0.3
129.07014	0.5
131.04926	3.3
131.08574	0.5
133.06516	2.4
133.10139	0.7
133.17709	0.3
134.07268	0.6
134.09677	1.2
135.04388	0.5
135.08066	0.4
136.05147	0.4
136.21649	0.3
137.05986	88.6
145.10110	0.6
147.04420	11.9
147.11731	0.4
149.05995	9.4
151.07550	1.3
155.08589	0.4
157.06485	0.5
159.11732	0.7
160.32556	0.3
161.09595	0.8
162.05490	1.0
165.05482	100.0
166.05806	0.3
171.11711	0.3
175.07602	0.5
175.12338	1.9
185.06046	0.7
187.12343	1.1
203.06940	0.3
233.48935	0.3
250.16248	0.3
255.11354	0.9
257.46301	0.3
267.69293	0.3
279.10226	1.3
285.19650	1.3
287.14194	0.4
287.21210	3.3
297.11374	0.6
297.19360	1.2
306.62344	0.3
315.13391	3.1
315.20670	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88950	1.0
53.03950	2.2
55.01877	9.6
55.05505	4.6
57.03437	1.3
57.07076	1.5
61.92407	1.0
64.86676	0.9
65.03945	2.5
66.60149	0.9
67.05511	5.0
69.03424	3.5
69.07052	3.5
70.06599	6.8
71.04993	1.1
71.51668	1.5
72.08160	1.6
74.63604	1.1
79.05495	8.2
81.07063	11.5
83.04978	2.7
83.08615	2.2
84.04485	1.4
84.08165	5.4
85.02883	1.3
85.06499	1.6
86.09718	5.3
91.05487	32.9
93.07065	7.5
95.04986	6.5
95.08606	5.5
97.02879	1.3
97.06519	2.0
98.97566	2.1
103.05450	4.1
104.06274	1.6
105.07040	29.5
106.04173	1.1
107.04955	3.5
107.08601	6.7
108.08131	1.3
109.06513	3.9
109.10152	3.1
111.08079	1.9
112.08739	1.0
115.05392	1.0
117.07024	3.2
119.04958	36.3
119.08598	5.9
120.08102	1.4
121.06519	19.5
121.10155	5.1
122.06072	1.7
122.06805	5.8
122.09631	1.2
123.04416	3.1
123.05494	2.1
123.08070	2.3
123.11709	1.3
125.07218	1.3
125.09605	1.4
129.07005	2.9
129.10292	1.3
131.08546	3.8
132.08951	1.5
133.02881	1.6
133.06551	5.1
133.10152	3.9
134.07231	1.4
135.04419	1.7
135.08093	5.8
136.07605	1.4
137.05927	5.0
137.09613	1.4
143.08548	4.3
145.10133	3.7
147.04422	100.0
147.11661	2.7
149.05945	2.6
149.09651	2.3
150.09062	2.0
151.07582	3.4
155.08508	1.3
156.09325	1.5
157.10133	2.8
158.74026	1.1
159.08046	2.6
159.11716	3.1
161.06068	1.8
161.09613	3.5
163.07463	5.2
165.05496	76.0
166.05989	1.5
170.58551	1.0
171.08130	1.1
171.11632	1.5
173.09706	1.4
173.13243	1.8
175.07492	2.4
175.11043	1.3
175.12390	1.1
176.10710	2.4
177.11020	1.9
177.12657	1.2
178.73637	1.0
182.10962	1.3
185.09679	1.2
185.13237	1.9
185.82748	1.0
187.11140	2.0
189.12737	1.3
195.11911	2.4
201.12747	1.4
209.13298	1.5
213.12735	1.3
215.14389	1.9
230.08279	1.2
231.13760	1.2
232.12048	3.3
233.15364	1.6
246.14908	1.0
247.13345	1.6
269.19141	1.3
273.18506	1.3
287.21027	2.4
297.11356	3.2
297.18732	4.3
315.13242	3.7
315.17477	6.9
315.20798	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1601
Annotation	Sesbanimide C
Peak:m/z	Relative Intensity
55.01873	4.2
55.05509	2.2
56.05040	5.2
57.03440	2.0
60.04516	0.4
65.03942	0.7
67.05506	3.2
68.05042	0.7
69.03416	0.7
69.07069	1.1
70.06585	1.7
70.78616	1.1
71.04977	0.6
72.08154	0.6
74.06091	2.5
79.05490	2.7
80.05019	1.0
81.03407	0.6
81.07058	4.6
82.06579	1.5
83.05001	0.6
83.08627	0.7
84.04512	10.5
84.08145	1.6
85.02923	0.5
86.06062	0.6
86.09705	0.5
88.03989	1.4
91.05482	1.9
92.05831	0.6
93.07053	3.5
94.06565	1.3
95.04958	0.6
95.08617	4.4
96.04502	1.2
96.08115	1.2
97.02905	0.7
97.06544	1.4
98.06077	0.5
98.09695	0.6
100.07663	0.8
102.05562	3.8
103.05481	0.5
105.07049	3.1
106.06538	1.2
107.04984	0.5
107.08592	1.4
108.08128	1.3
109.10133	0.9
110.06035	1.8
110.07117	0.5
110.09666	0.4
110.68723	0.3
111.08112	0.5
112.03977	0.9
117.05848	0.4
117.07046	0.4
119.08586	1.0
120.08086	0.9
121.06498	1.8
121.08826	0.5
121.10156	1.2
122.06932	0.4
122.09678	1.9
123.04510	0.6
123.08074	4.7
124.07590	0.9
124.11222	1.0
126.05527	1.4
128.03444	0.4
129.10245	0.5
130.05006	26.2
131.08569	0.6
133.08835	0.6
134.06026	0.7
134.09671	1.1
135.10402	0.5
136.07558	1.4
136.11205	1.6
137.05956	0.7
138.05522	1.2
138.09123	0.6
138.12782	0.8
139.07542	1.7
146.08237	0.5
147.04340	0.7
148.04762	0.7
148.11220	1.0
150.09181	0.5
150.12817	1.0
151.07570	1.3
152.10715	1.1
152.14375	0.6
154.05005	1.4
154.12314	2.1
156.06566	1.3
162.09160	1.7
162.12769	0.6
166.12299	1.0
166.15942	1.0
168.13861	0.9
170.08113	1.6
170.11833	1.9
172.06096	1.2
176.10728	1.2
176.14438	2.2
177.12721	0.4
178.12282	6.3
180.06732	0.4
180.10210	7.5
180.13863	1.5
180.17497	0.6
182.08139	1.7
182.11772	1.2
189.17686	0.4
190.09593	0.7
192.13834	0.7
194.11835	2.1
194.15433	0.8
196.13322	4.4
198.11255	7.9
200.12862	1.6
206.11775	0.9
208.13379	1.3
208.16954	3.0
216.97789	0.5
220.13350	0.7
222.11261	1.3
224.12823	19.0
224.15056	0.9
226.14296	0.7
238.14426	3.6
240.12279	1.9
240.15970	5.1
242.13882	9.0
252.12402	2.0
252.15967	14.8
261.73889	0.4
266.13867	4.2
268.15402	3.9
270.13373	8.7
284.14963	18.0
296.14926	3.8
314.15994	100.0
323.40637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17571	9.5
56.96553	24.4
64.65958	8.9
71.50774	12.2
98.09678	26.2
98.97575	33.9
110.97578	20.8
121.13866	7.9
128.98586	20.3
134.74519	9.0
156.88535	14.4
158.15332	21.4
170.99608	10.3
178.13493	8.9
201.00795	11.1
219.01814	47.6
237.02766	38.5
248.66914	8.4
314.06183	100.0
332.06461	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	314.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.5
55.01879	3.6
55.05525	2.6
56.05035	7.4
57.03426	1.6
58.06592	0.4
67.05505	5.4
68.05020	1.8
69.03416	1.2
69.07063	1.8
70.06268	0.5
70.06586	3.1
71.01349	0.5
71.03135	1.0
71.04992	1.1
74.06081	3.0
79.05486	4.1
80.05007	0.9
81.03422	0.6
81.07054	4.3
82.06572	1.6
83.04961	0.7
84.04510	15.5
84.08141	0.8
85.99577	0.4
86.06064	4.3
86.09694	0.6
87.04462	0.4
88.03987	1.5
91.05492	4.3
93.07044	4.9
94.06570	1.3
95.04938	0.9
95.08614	6.6
96.08130	1.3
97.02878	0.6
97.06510	1.0
97.10110	0.5
98.06042	2.1
98.09706	0.9
102.05552	2.6
104.07109	0.5
105.07020	3.7
106.06525	1.4
107.04935	0.5
107.08583	1.4
108.04488	1.0
108.08124	1.2
109.10155	2.5
110.06043	2.1
110.07119	0.5
111.04491	0.5
112.03986	1.0
112.07590	0.6
114.05532	1.7
116.06296	0.5
118.06452	0.4
119.08565	1.0
120.08124	1.1
121.02828	0.5
121.06506	2.4
121.08924	0.5
121.10152	2.1
122.09644	1.5
123.08029	0.8
124.03908	0.5
124.07536	0.9
125.05895	0.5
126.05504	1.1
126.12830	0.5
130.05002	30.7
131.08568	6.1
132.06578	4.5
133.06499	0.5
133.10101	0.7
136.07623	0.9
136.11214	1.4
137.09644	0.9
138.05458	0.7
138.09148	0.7
139.07538	1.5
139.11159	0.5
140.07060	0.9
140.10672	0.5
141.11511	4.4
141.61102	0.4
147.08006	0.6
148.11290	0.6
149.09642	0.7
151.06310	0.6
152.10747	0.6
152.14340	0.6
154.05014	1.9
154.12227	1.1
159.08063	1.8
160.16650	0.5
162.09120	3.1
162.12794	0.7
163.98581	0.5
164.10692	0.6
170.08069	0.6
170.11823	0.7
172.06093	1.5
176.10707	6.5
176.14256	0.8
178.12291	4.1
180.10199	10.8
180.13872	1.6
182.08171	1.0
182.11774	4.2
194.11845	0.7
196.13300	1.4
198.11250	1.8
198.14882	2.5
200.12845	2.0
208.13451	1.3
208.16992	1.2
209.66006	0.4
222.11221	1.5
224.12816	18.6
226.07043	0.6
226.14375	8.5
238.14417	1.1
240.12297	0.7
240.15965	1.4
242.13872	4.1
244.12964	0.9
244.15450	17.4
252.12267	2.7
252.16054	4.3
255.10175	0.8
266.13962	1.0
268.15463	3.9
270.13400	3.5
284.14844	3.5
295.55289	0.4
296.14929	21.2
314.15988	100.0
314.21909	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70602	0.4
55.05513	5.8
57.03442	15.5
57.07079	41.1
58.78410	0.3
59.97912	0.3
60.60525	0.4
67.05179	0.7
67.05508	8.4
69.06725	0.6
69.07072	7.0
70.75751	0.6
70.76120	0.8
71.04981	0.6
71.08634	27.6
73.06591	0.5
75.04478	0.4
79.05474	0.5
81.06587	0.7
81.07061	11.2
83.08620	8.3
84.24255	0.4
85.06534	0.5
85.10188	14.5
89.06039	2.4
90.53528	0.3
93.07078	0.9
95.08616	15.5
96.24531	0.4
97.10169	4.0
98.20914	0.5
99.11694	0.7
101.96432	0.3
103.07584	1.8
107.08587	0.5
109.10162	6.6
111.11722	1.2
117.09114	0.7
121.10168	0.5
123.11710	3.0
125.09644	0.4
125.13214	0.6
135.11707	0.4
137.13246	1.3
151.14818	0.6
165.16394	0.4
201.37608	0.4
201.60155	0.3
221.22729	0.5
239.23708	3.5
257.24777	4.6
298.27414	0.5
313.27380	100.0
314.27719	0.6
326.11481	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.05514	6.5
57.03163	0.8
57.03440	16.5
57.07077	48.1
60.08142	1.7
64.96498	0.4
67.05183	0.7
67.05505	9.5
69.07068	9.4
71.08633	31.2
75.04467	0.5
81.07056	12.0
81.91341	0.4
83.04978	0.4
83.08157	0.6
83.08623	10.3
85.10185	15.8
86.01781	0.4
89.06013	2.4
91.05447	0.9
93.07031	1.3
95.08609	17.5
97.06490	0.5
97.10178	5.0
98.20754	1.3
99.11726	0.9
103.07567	1.5
105.07028	0.8
107.08620	0.9
109.10149	7.9
111.08023	0.4
111.11700	1.1
121.10148	0.7
123.11706	4.2
125.13293	0.5
125.99490	0.5
137.13229	1.4
151.14836	0.4
239.23721	4.4
257.24747	5.0
298.27399	0.8
313.27362	100.0
313.36508	9.4
314.27631	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	314.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85956	6.5
54.83564	6.0
56.96559	17.3
60.56097	6.9
70.06593	16.0
70.92343	11.2
70.92684	8.0
71.04996	9.5
72.08110	6.1
79.03409	7.6
82.63848	7.7
84.08139	8.0
85.02920	14.9
86.09727	9.7
97.02884	8.5
98.09697	21.0
98.97573	30.7
106.03570	6.4
110.07169	9.0
110.97569	10.2
112.89612	47.0
114.89333	8.7
139.91469	27.3
143.02040	10.3
155.02211	6.7
156.88632	6.6
158.15416	24.2
213.07484	26.2
216.49644	6.5
219.01770	18.2
223.57140	8.1
232.57579	13.3
237.02864	12.3
248.33194	6.8
251.03065	8.6
272.41397	6.3
300.07507	6.1
314.06329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47978	0.3
55.05513	5.6
57.03442	15.9
57.07079	45.4
58.42849	0.4
58.92811	0.4
60.08158	0.4
67.05511	9.0
67.48604	0.4
69.06734	0.7
69.07072	9.1
69.76021	2.2
71.04999	0.5
71.08636	31.0
73.18718	0.4
75.04471	0.4
79.05484	0.6
79.95177	0.4
81.06595	0.8
81.07060	12.2
81.07532	0.8
83.04989	0.7
83.08162	0.7
83.08626	9.5
85.06541	0.6
85.10187	15.7
89.06042	2.4
90.00576	0.4
91.05495	0.5
93.07039	1.0
95.08612	18.2
97.06525	0.5
97.10184	4.8
99.11738	1.0
100.88721	0.4
103.07575	1.5
105.48784	0.4
107.08614	0.5
109.10162	8.6
111.11711	1.8
111.62369	0.4
117.09138	0.7
121.10169	0.5
123.11725	3.4
125.13332	0.5
131.10716	0.4
137.13240	1.1
138.59634	0.4
139.49808	0.4
151.14841	0.6
231.28723	0.4
239.23708	4.0
257.24789	5.3
298.27435	0.6
313.27380	100.0
313.36499	3.6
314.27765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.1
55.05507	15.3
57.03432	7.4
57.07077	38.3
58.07404	12.5
63.70598	2.6
67.05509	35.7
69.03432	5.1
69.07066	24.3
70.06570	5.6
71.04991	13.0
71.08607	4.1
79.05491	33.9
81.07061	49.1
81.75529	2.9
83.04974	13.1
83.08611	16.6
84.05285	3.9
84.08144	7.5
85.06519	5.2
91.05494	28.0
93.07045	37.0
95.04958	8.0
95.08612	41.5
97.06515	7.5
97.10146	6.3
99.08074	4.7
105.07030	22.2
107.04984	5.1
107.08595	27.5
109.02853	4.6
109.06491	7.1
109.10142	16.8
109.83215	2.9
111.04443	16.1
111.08117	6.7
112.04770	12.5
113.04868	7.6
113.05988	3.7
115.03129	2.6
115.07562	6.1
117.07022	10.8
119.04961	3.8
119.08582	25.2
121.06524	5.8
121.10149	31.9
123.08084	3.0
123.11713	6.5
125.05974	6.4
125.09628	5.6
129.06958	4.6
131.08582	17.8
133.10149	18.5
135.11687	16.3
137.09615	6.1
143.08582	8.5
145.10120	10.4
147.11711	9.4
149.09564	4.8
149.13266	8.8
153.05475	10.8
154.05807	11.4
155.05934	11.9
157.10115	9.2
159.11597	7.0
161.09572	4.0
161.13239	5.7
163.03918	4.8
163.11168	8.7
163.14864	5.3
170.10928	3.3
171.11682	9.7
173.13261	22.4
175.11255	4.1
175.14835	6.7
181.12215	8.3
183.05435	4.0
183.12898	4.3
185.13203	5.1
187.07570	3.3
187.14862	6.8
191.10637	6.2
192.11076	7.6
193.11369	7.5
199.14743	3.9
209.11700	30.0
209.15378	10.3
210.12073	48.4
211.12311	85.7
225.14011	3.9
229.12117	5.1
237.11240	17.9
238.11549	37.0
239.11815	100.0
241.19446	3.9
256.12643	8.4
257.12924	31.9
259.20599	6.5
277.21674	36.1
295.18039	13.8
295.21481	5.9
313.18518	16.8
313.21948	8.8
313.27109	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	313.2374
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.76063	2.7
52.55292	2.6
52.96570	3.2
55.01876	21.2
55.05516	35.2
57.03442	5.3
57.07065	11.6
67.05512	47.2
69.03427	4.0
69.07073	25.8
69.85398	9.0
70.06569	3.4
71.05000	5.6
71.08636	53.0
75.43716	2.9
79.05507	39.2
81.03407	5.5
81.07059	48.1
83.04983	12.3
83.08630	27.7
85.06540	5.9
85.10177	5.9
91.05475	30.2
93.07040	39.1
95.04961	10.4
95.08601	38.4
97.06538	16.3
97.10164	6.0
99.08108	43.0
105.07040	27.9
106.48863	2.9
107.04980	3.7
107.08602	29.6
109.06516	4.0
109.10159	11.4
111.08083	24.4
113.09644	5.0
117.06986	5.6
119.08588	17.9
121.06511	6.0
121.10157	19.4
123.08038	6.6
123.11687	4.8
125.09596	5.1
127.11189	7.8
129.07022	5.4
131.08557	11.5
133.10124	23.5
135.08086	5.5
135.11710	15.8
137.09665	3.7
139.11156	5.2
141.12708	7.5
143.08578	6.1
145.10152	10.8
147.07944	3.6
147.11664	16.6
149.09622	7.9
149.13301	13.6
151.11195	21.1
153.12700	3.8
154.53859	3.3
157.10086	5.8
159.11742	6.8
161.09589	3.4
161.13281	13.1
163.11188	14.7
165.12759	19.1
169.12241	4.9
171.11716	6.2
173.13300	6.3
175.11156	4.5
175.14836	6.9
177.12790	6.1
179.14302	20.7
185.13275	3.3
231.21136	8.1
235.43430	2.9
241.19554	8.1
249.21973	4.9
259.20554	13.8
277.21661	100.0
295.22742	54.6
313.21487	4.8
313.27295	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	313.2374
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03938	3.5
54.65992	1.7
55.01871	17.3
55.05513	49.4
56.96563	1.9
57.03439	9.0
57.07072	9.3
57.51266	1.6
59.05000	3.3
63.52077	1.9
65.03948	1.6
67.05508	100.0
67.73367	1.8
69.03419	5.0
69.07071	37.4
69.88062	7.0
70.06588	4.2
71.04997	14.1
71.08631	20.4
79.05498	33.0
81.03426	8.7
81.06593	3.1
81.07059	61.2
83.04999	16.6
83.08626	25.8
84.08134	3.5
85.06548	6.3
86.09673	1.7
91.05492	25.3
93.07043	46.3
95.04977	12.7
95.08614	41.7
97.02901	1.9
97.06538	11.6
97.10170	33.7
98.20811	1.9
99.08092	17.4
105.07040	29.4
107.04939	4.0
107.08601	32.6
109.06519	7.0
109.10159	64.0
111.08092	8.3
117.07023	4.9
119.08584	24.8
121.06512	8.6
121.10158	19.9
123.08075	14.7
123.11690	10.2
125.09636	25.9
127.11131	3.6
129.06972	2.9
131.08606	9.6
133.06448	1.8
133.10130	15.9
135.08070	8.4
135.11699	24.2
137.09628	11.2
139.07491	2.1
139.11195	22.5
141.12752	37.3
142.07747	1.8
143.08463	2.2
145.10100	9.8
147.08067	2.3
147.11731	14.6
149.09619	3.3
149.13278	7.5
151.07510	1.9
151.11180	8.8
153.12756	7.2
155.10635	10.2
157.10150	6.0
159.11700	6.0
161.09694	3.8
161.13284	8.9
161.93347	1.6
163.03931	2.8
163.11186	6.8
165.12755	4.6
167.14325	3.3
169.10172	2.9
169.12263	14.3
171.10252	2.5
171.11691	4.5
173.11765	37.5
173.13246	5.0
175.11183	5.5
175.14769	3.7
177.12711	2.1
179.14319	4.9
181.12280	4.5
183.11658	2.4
185.13261	4.0
187.14778	2.6
189.11209	21.2
191.02423	2.0
191.14249	2.1
193.15883	2.4
195.11635	1.8
197.13237	2.2
199.14827	3.2
213.12692	2.3
231.21085	6.0
241.19519	7.1
249.22159	6.8
259.20560	9.2
277.21640	81.8
283.38623	2.2
295.09512	2.6
295.22736	96.7
313.18176	3.7
313.21707	9.2
320.05258	1.7
323.57877	1.7
337.23773	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2375
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
53.03929	1.5
55.01877	2.1
55.05518	9.3
56.57164	0.7
57.03434	2.0
57.07084	4.8
67.05505	16.3
69.03439	0.8
69.07072	9.4
70.06590	1.0
70.23296	1.4
70.23694	1.7
71.05000	2.2
71.08627	0.9
79.05498	9.3
81.03420	7.0
81.07066	16.5
83.04971	4.6
83.08620	4.8
85.02907	1.9
85.06535	1.9
85.10184	10.2
91.05477	7.3
93.07056	9.8
95.04976	8.2
95.08620	8.6
96.65722	0.9
97.06539	1.2
97.10168	3.2
99.08144	0.9
103.37316	0.8
105.07037	8.8
107.04953	2.0
107.08605	6.5
109.06512	2.4
109.10170	9.0
111.08089	1.6
113.09653	7.9
117.06982	0.9
119.08560	3.9
121.06513	2.2
121.10155	3.7
123.08062	1.8
123.11761	1.7
125.09639	2.3
129.07021	0.9
131.08582	1.7
133.10126	6.8
135.11745	2.0
143.08563	1.0
145.10115	1.9
147.11688	2.1
149.09633	2.6
151.11153	5.3
157.10149	2.3
159.11787	1.0
161.13264	1.6
165.12758	16.4
171.11627	1.5
173.13393	1.1
175.11137	1.1
175.14861	1.2
185.13257	0.9
195.13721	0.8
197.13434	0.8
207.13739	2.0
214.82698	0.8
241.19409	0.8
259.20602	1.2
277.21649	34.2
295.22720	100.0
296.23080	1.4
313.21671	2.3
325.66257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51246	0.1
51.02390	0.1
52.06778	0.1
52.81724	0.1
53.03946	0.2
55.01878	0.2
55.05510	0.1
57.03431	0.2
58.28824	0.1
65.03936	0.5
67.05492	0.3
68.99803	0.2
69.03426	0.1
69.07086	0.2
70.06584	0.2
70.83949	0.1
70.84297	0.1
71.04996	0.1
72.66483	0.1
77.03945	0.2
79.05505	0.6
81.07071	0.4
84.04512	0.1
84.08159	0.1
85.06503	0.1
91.05483	7.3
93.07041	0.3
95.04963	0.3
95.08603	0.3
98.09686	0.1
103.05450	0.2
105.03327	0.1
105.07024	1.2
107.04957	13.4
107.08586	0.2
109.06504	0.2
109.10143	0.2
119.04943	9.5
119.08569	0.2
121.06507	0.8
121.10124	0.2
122.06803	0.2
133.06480	0.8
133.10133	0.1
134.06097	0.1
135.04437	0.9
135.08046	0.1
136.07565	0.1
137.06078	0.1
137.09660	0.1
145.10083	0.1
151.07520	0.7
163.03902	100.0
164.04199	0.5
170.15311	0.1
176.10704	0.3
178.12430	0.1
183.38684	0.1
198.14841	0.2
226.63744	0.1
293.08670	0.1
295.15369	0.1
313.10651	2.4
313.19180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
55.05513	7.5
57.03435	3.1
57.07075	4.6
67.05513	13.2
69.03434	12.9
69.07083	12.3
70.06585	3.1
70.84084	3.6
70.84431	1.9
71.05005	2.4
73.02928	4.1
73.71145	1.3
79.05502	11.9
80.62262	1.7
81.03461	1.7
81.07066	35.5
83.04971	1.6
83.08635	8.3
85.06551	2.2
85.34058	1.6
91.05488	5.1
93.07054	27.2
95.04986	5.8
95.08057	2.9
95.08622	30.5
97.06522	2.0
97.10219	2.7
98.09738	3.9
105.07029	5.3
106.72775	1.7
107.04971	9.3
107.08611	51.9
107.09317	3.4
109.06532	6.0
109.10180	25.6
111.08151	2.0
113.06028	5.7
115.05508	1.6
116.73994	1.4
117.07066	1.5
119.08607	3.2
120.08125	3.2
121.06506	8.6
121.10160	19.5
123.08110	2.7
123.11729	30.2
123.16920	1.7
125.06015	2.0
127.07580	16.9
131.08568	8.2
133.10129	2.0
135.08107	7.0
135.11713	11.4
137.05988	2.0
137.13283	12.1
139.07564	5.3
140.45514	1.7
143.04889	2.8
145.10167	4.0
147.11751	2.5
149.09641	3.2
149.13283	6.4
153.09158	6.6
157.06480	1.6
158.10956	1.7
163.14842	100.0
171.04486	4.6
173.13260	20.4
181.15903	2.4
191.14340	49.6
209.15399	39.6
219.08134	3.1
237.09151	2.7
247.07587	2.5
265.08569	8.7
283.09702	5.0
294.66431	1.5
295.15356	3.4
313.19492	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	312.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.8
55.05514	29.0
56.02209	3.5
56.05829	6.1
57.03431	6.1
57.07063	11.9
62.06083	7.0
67.05508	41.5
68.05835	15.5
69.07067	26.6
70.06593	5.5
70.07384	7.8
71.04969	5.8
71.08627	4.2
79.05482	17.0
80.05821	12.9
81.07053	38.3
82.07399	18.6
83.04995	6.5
83.08633	16.2
84.05317	3.5
84.08934	3.1
84.39738	2.7
85.02930	4.0
85.06540	6.9
85.10159	3.7
88.07627	2.9
90.44165	3.1
90.80860	2.6
91.05471	21.4
91.54871	3.0
92.05809	10.3
93.07051	20.4
94.07356	11.8
95.04951	12.1
95.08584	21.6
96.08921	14.1
97.02906	2.8
97.06534	4.2
99.04438	4.0
105.07034	20.2
106.06757	2.9
106.07354	16.1
107.04925	3.7
107.08581	17.3
108.05296	2.6
108.08936	14.3
109.10158	26.1
110.10511	22.2
111.04469	7.0
112.04810	2.8
113.06004	2.8
117.06989	5.6
119.08602	9.7
120.08926	6.1
121.06493	2.9
121.10169	4.2
122.10468	7.4
123.08051	3.3
123.11678	4.9
124.08423	4.1
131.08565	4.9
133.10112	28.4
134.10449	24.5
135.04407	39.4
135.11687	5.6
136.04784	19.4
136.11986	4.0
137.09613	3.9
138.10008	4.0
145.10097	5.3
146.10486	3.6
148.12038	4.6
149.09608	3.4
150.09901	5.6
151.11151	15.4
152.11562	18.3
160.12053	3.8
161.09610	7.8
162.09941	13.6
164.11533	6.3
169.12225	3.4
170.12628	5.4
210.12108	7.6
238.11484	7.1
248.20869	9.9
258.19330	6.0
266.22089	3.6
276.20410	52.0
276.23154	5.6
294.21469	75.9
312.19809	3.8
312.26785	5.2
312.32605	100.0
312.36191	6.7
313.27225	3.0
323.09854	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	311.2582
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03946	0.7
54.27474	0.5
55.01873	1.2
55.05516	40.2
57.03444	14.7
57.07082	18.5
62.94009	0.4
67.05508	5.3
69.07073	44.3
71.04953	0.4
71.08640	11.9
73.02898	0.9
73.31991	0.4
76.01462	0.4
76.90891	0.4
79.05505	3.5
81.07061	7.1
83.05007	0.8
83.08625	36.0
85.06606	0.4
85.10181	4.5
91.05504	0.8
93.07050	4.3
95.08613	5.6
97.06539	3.3
97.10181	26.9
98.21659	0.6
101.05997	0.6
107.08611	2.9
109.10146	2.8
111.08086	1.2
111.11729	8.9
121.10158	4.8
123.11727	1.2
125.09634	1.6
125.13302	2.1
129.05588	0.4
135.04410	0.9
135.11720	3.4
137.13158	1.1
139.11150	1.3
149.13263	1.7
153.12717	1.1
161.09691	0.4
163.14810	0.8
209.11751	2.0
219.21141	1.7
237.11224	1.6
237.22157	0.8
240.98030	0.4
306.18018	0.4
311.25821	100.0
312.26208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.01871	4.9
55.05514	47.9
57.03436	15.2
57.07080	22.8
57.76743	2.5
65.03927	2.9
67.05180	3.9
67.05508	44.0
69.07072	82.4
69.23808	24.5
71.04990	6.7
71.08620	7.6
76.15667	2.4
77.07325	3.0
79.05494	28.0
81.03431	5.3
81.07063	52.0
83.08619	32.0
84.89335	2.9
85.10133	3.4
91.05486	40.0
93.07049	100.0
93.07640	4.8
95.04972	63.2
95.08610	94.9
97.06525	31.9
97.10172	22.0
103.51602	2.7
105.07037	70.3
107.04951	3.4
107.07882	4.5
107.08595	59.4
109.06506	17.8
109.10161	37.0
111.11729	6.7
115.05459	5.2
117.07043	16.1
119.08589	70.9
121.06493	21.0
121.10148	55.7
123.08085	20.4
123.11687	22.4
128.06210	3.5
129.07036	6.9
131.08582	24.4
133.10129	41.3
135.04401	12.3
135.08064	16.5
135.11684	21.2
137.09619	8.0
137.13290	6.2
142.07785	9.1
143.08554	10.5
144.09337	3.5
145.06418	3.6
145.10135	38.9
147.08041	4.8
147.11668	28.6
149.09618	5.8
149.13359	6.1
155.08540	3.0
156.09346	4.1
157.10132	32.9
159.08055	5.4
159.11707	52.2
161.09598	22.0
161.13257	9.7
163.11186	5.0
167.08644	2.8
167.48041	2.6
168.84779	2.5
169.10117	7.7
170.10870	3.6
171.11684	15.5
173.13339	12.9
173.14555	2.7
175.14798	14.3
177.16457	25.2
177.24954	3.1
181.10075	3.7
183.11670	5.8
185.13228	12.8
187.11168	5.4
187.14769	5.7
189.12738	4.0
189.16409	15.4
195.11745	3.5
197.13292	5.9
199.14778	7.4
201.16400	12.5
203.17976	4.7
209.11703	16.9
209.13374	6.6
211.14873	8.1
213.16342	5.1
215.17946	7.3
219.17424	4.9
223.14796	8.7
227.17961	3.0
231.17447	3.2
237.11232	13.0
241.19353	3.7
255.12234	5.0
255.17242	3.2
255.21140	6.5
293.22653	6.7
311.16418	5.9
311.23209	17.0
311.25827	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14990	3.2
53.03944	8.0
55.05518	28.9
56.82742	2.9
57.03432	9.4
57.07080	22.4
66.35802	3.6
67.05511	46.9
69.07071	65.3
71.04979	6.5
73.47380	3.8
79.05490	26.3
81.03410	5.3
81.07063	50.2
83.04989	4.1
83.08637	19.1
91.05487	42.2
93.07050	100.0
95.04978	62.1
95.08611	98.3
95.09182	6.9
97.06542	35.7
97.10162	9.7
105.04571	3.8
105.07035	68.0
107.04916	3.5
107.08598	57.5
109.06527	13.9
109.10163	37.2
111.04447	5.5
111.11652	4.5
115.05482	4.6
117.07024	16.1
119.08591	84.8
121.06504	14.9
121.10146	44.2
123.08057	17.5
123.11699	14.7
129.07018	7.5
130.07697	5.2
131.08591	25.6
133.10135	40.7
135.04414	25.5
135.08067	15.9
135.11705	13.4
137.09615	7.2
137.13275	4.5
142.07787	7.2
143.08588	15.5
144.09332	3.9
145.10138	38.4
147.11710	25.1
149.09666	7.8
149.13290	4.0
153.05492	7.3
153.79280	3.1
156.09346	4.5
157.10124	29.8
159.08141	3.3
159.11688	47.8
161.09631	29.4
161.13239	12.0
163.11185	6.0
169.10135	12.4
171.11655	15.8
173.13283	13.0
175.14882	14.5
177.16403	21.1
183.11763	6.5
185.13310	12.0
187.11194	5.6
187.14851	8.0
189.16423	16.6
195.11739	7.2
197.13252	7.9
199.14777	6.1
201.16365	6.7
209.11732	41.0
211.14833	10.5
213.16287	4.8
215.17976	10.0
219.17424	6.3
223.14957	5.6
237.11191	28.1
237.16455	5.6
255.12224	5.0
255.21130	4.2
260.39505	3.3
293.17780	5.1
293.22662	4.1
311.16415	11.6
311.23718	23.4
325.24136	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	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03942	4.2
55.01875	16.2
55.05511	30.7
55.86168	1.8
57.03425	5.4
57.07079	18.7
64.08227	1.7
66.82635	1.6
67.05182	2.7
67.05508	47.7
69.03422	11.1
69.07071	22.3
69.82517	10.2
70.06589	7.9
71.04983	8.0
79.05073	3.3
79.05495	43.7
81.03415	5.4
81.07058	76.1
83.04987	16.5
83.08623	18.7
85.02890	6.3
85.06530	7.6
91.04980	3.2
91.05486	37.3
93.07047	34.4
95.04979	14.5
95.08605	30.3
97.06538	14.9
97.10180	16.1
99.04450	2.2
99.08092	4.2
105.04527	1.7
105.07037	35.0
106.04993	1.8
106.07323	2.3
107.04961	6.2
107.08601	54.3
108.08904	2.6
109.02882	2.8
109.06530	10.6
109.10162	30.7
111.04456	13.9
111.08077	7.5
113.06013	5.2
117.07035	9.8
119.08578	24.7
120.08952	3.0
121.06512	6.2
121.10123	17.8
122.09641	4.4
123.08102	7.3
123.11720	5.9
125.06026	9.6
125.09634	30.1
129.07005	5.7
131.08572	17.4
133.10144	32.5
135.04404	1.8
135.08073	4.3
135.11678	10.7
137.05934	1.9
137.09622	5.4
137.13179	1.8
139.11188	3.9
141.06950	2.2
143.08548	5.1
144.08971	2.3
145.10121	16.7
147.08052	4.0
147.11720	10.0
149.09641	9.0
149.13252	3.4
151.11189	18.6
153.05492	8.3
153.12744	6.1
157.10081	8.6
158.10533	3.0
159.08078	2.8
159.11726	7.8
161.09662	3.7
161.13281	6.3
163.11194	9.3
169.10173	2.5
169.12267	5.3
171.10115	1.9
171.11703	3.1
173.09554	1.8
173.13240	7.8
174.13647	3.1
175.11189	4.0
175.13232	2.7
177.12714	4.8
181.04958	2.6
181.12274	8.2
183.11786	2.2
186.12793	1.8
187.11104	2.9
187.13321	4.1
189.11232	14.3
189.12668	2.4
191.10690	6.4
193.12253	3.0
195.13840	4.9
199.13205	2.5
201.16362	2.1
209.11725	61.2
213.14703	2.2
219.13960	3.1
219.17493	2.0
223.13278	5.5
227.16251	2.3
229.19649	2.0
235.16969	6.7
237.11227	49.7
237.14720	8.5
239.18033	5.0
241.14333	2.6
247.20667	2.9
253.17842	2.6
255.12242	17.4
255.19411	1.9
257.18997	11.0
265.21799	2.1
275.16925	3.5
275.20078	70.0
281.21204	2.1
293.17523	7.4
293.20959	37.2
311.19827	3.7
311.25635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03942	5.0
53.39339	1.7
55.01872	7.3
55.05517	23.2
57.03437	4.4
57.07070	5.2
65.03923	2.8
67.05509	51.4
69.03424	5.0
69.07073	24.7
69.15498	11.6
69.15936	7.4
70.06604	11.1
71.04976	5.1
72.08131	3.3
75.14777	1.6
79.05498	31.1
81.03426	3.7
81.07059	54.0
83.04977	6.4
83.08630	19.1
84.08128	8.7
85.02908	2.8
85.06548	4.3
86.09718	4.6
91.05485	34.4
93.07053	37.6
95.04970	7.0
95.08609	41.2
97.02874	6.9
97.06528	11.7
97.10180	13.6
98.98454	2.3
99.04441	2.2
99.08085	4.0
103.05447	2.5
105.07041	44.4
107.04942	6.1
107.08588	30.5
109.06509	7.8
109.10169	26.7
110.07165	3.0
111.08066	6.5
117.07045	13.2
119.08591	34.4
120.08102	3.1
121.06514	13.0
121.10142	18.3
123.08057	8.4
123.11709	7.6
125.09624	13.2
129.07065	3.2
129.10239	2.2
131.08565	16.9
133.06563	2.4
133.10143	33.6
135.08070	5.1
135.11700	12.5
137.09627	8.2
139.11157	2.9
142.62782	1.8
143.08571	8.0
145.10139	19.1
147.08095	2.5
147.11676	17.4
149.09615	17.8
149.13235	4.5
151.11194	5.4
155.08577	3.0
157.10118	6.7
159.11700	14.2
161.09596	2.3
161.13274	5.7
163.11183	10.6
165.08968	2.0
171.11710	4.6
173.11754	4.7
173.13246	6.4
175.11235	4.1
177.12727	3.2
181.12280	5.2
183.11717	4.4
185.13210	2.1
189.11151	7.3
189.12720	3.2
195.13948	2.4
197.13248	3.5
213.16483	2.5
223.13353	1.9
229.19417	2.9
233.19142	2.5
235.16953	2.4
237.11102	1.9
239.17976	8.8
247.20642	5.7
257.18994	17.3
275.20081	100.0
277.14453	1.9
293.21237	21.9
311.13846	4.3
311.22159	2.3
318.86688	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	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03945	8.9
54.95599	1.7
55.01872	8.5
55.05319	1.8
55.05515	19.8
56.96565	8.2
57.03439	3.6
57.07091	3.6
61.02924	1.9
65.03926	3.8
67.05509	74.4
69.03410	8.0
69.07069	27.8
70.06583	8.2
70.84435	3.2
70.84762	3.0
71.05000	24.9
73.02909	3.9
77.03898	1.6
79.05495	63.1
80.36989	1.5
81.03420	13.9
81.07060	89.0
83.04987	12.2
83.08634	13.9
84.08132	6.5
84.96024	4.4
85.02909	10.4
85.06545	18.4
86.09718	4.3
89.03960	2.6
91.05483	53.5
93.07052	100.0
95.04948	8.8
95.06149	1.8
95.08611	60.5
96.75865	2.1
97.06535	17.7
97.10155	4.1
98.97578	5.8
99.04459	5.4
99.08088	7.7
100.07616	1.9
101.02381	7.0
103.05445	2.9
105.07039	52.1
107.04942	10.2
107.08599	53.1
108.08137	2.3
108.08907	1.6
109.02892	10.1
109.06535	8.9
109.10155	35.6
111.04465	20.6
111.08112	16.3
111.11692	2.0
113.05988	2.6
117.03397	3.8
117.07024	12.0
119.07814	3.4
119.08591	45.9
120.08135	2.4
121.06511	21.0
121.10149	64.3
123.04433	2.3
123.08071	8.7
123.11723	9.8
125.05980	7.4
125.09640	6.9
127.03941	6.0
128.06230	2.9
129.05473	3.0
129.07001	8.4
131.08583	27.3
133.02803	2.0
133.10136	42.6
135.08086	15.5
135.11699	48.2
137.05963	5.9
137.09599	8.2
137.13229	4.4
139.07538	12.1
139.11162	3.9
141.06958	3.7
141.09100	2.6
143.08557	7.1
145.02892	9.6
145.06477	2.7
145.10130	21.9
147.04396	1.9
147.08044	8.3
147.11688	28.9
149.05957	5.7
149.09624	17.7
149.13266	18.5
151.03857	2.5
151.07547	3.8
151.11177	4.9
151.94182	2.5
153.09109	9.8
155.08586	3.1
157.08664	3.7
157.10130	11.5
159.08116	2.4
159.11716	24.8
161.09630	7.9
161.13281	12.4
163.07559	2.2
163.11162	9.8
163.14784	2.9
165.09137	3.7
167.10739	9.7
167.14333	7.7
169.10130	5.4
171.11673	9.2
173.13278	16.9
175.11171	11.5
175.14760	5.5
177.05484	28.4
177.09059	2.3
177.12740	8.0
177.16301	3.4
179.03377	13.4
179.10666	6.3
180.04153	3.8
181.08531	5.5
181.12325	2.5
183.11688	6.0
187.07507	4.2
187.11218	3.3
187.14804	6.8
189.12717	4.3
191.10594	2.9
191.14305	5.0
192.07175	2.7
193.12248	13.3
195.06485	3.8
195.13815	8.2
197.13211	5.5
201.12720	4.0
202.96536	2.1
203.14417	2.7
204.39612	1.8
205.06223	2.2
205.15929	3.7
207.13808	2.3
211.14908	3.3
213.14793	4.2
213.16559	3.5
213.91585	1.8
215.14392	2.6
215.17961	6.3
219.13878	12.1
220.97552	5.4
227.16345	2.4
229.15819	3.0
229.19647	3.2
233.15341	7.5
233.18933	10.7
237.14828	6.2
239.09579	7.5
239.17981	11.1
247.17088	2.7
247.20569	4.8
249.26868	2.2
251.16478	4.2
257.10617	4.5
257.15390	4.8
257.18906	12.1
260.92148	1.9
265.21594	2.3
267.21481	15.2
269.03192	2.3
275.16461	10.4
275.20059	32.4
280.09479	2.9
283.08377	2.5
293.17410	8.6
293.21100	12.3
302.08969	3.5
311.05219	2.3
311.09677	2.3
311.14871	3.2
311.18213	1.8
311.24225	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03954	2.8
53.98500	1.7
55.01880	6.0
55.05516	28.0
57.03441	8.2
57.07083	16.7
67.05506	42.6
67.05838	3.0
67.33587	1.7
67.72093	1.6
69.03444	2.6
69.07066	30.0
69.29701	12.4
71.04974	2.7
71.08642	6.3
79.05498	21.6
81.03432	5.7
81.07056	44.6
83.04977	12.3
83.08624	20.6
84.08162	2.0
85.02943	2.5
85.06556	4.0
85.10194	2.7
91.05482	15.6
93.07053	30.1
95.04990	10.8
95.08611	32.7
97.06538	9.5
97.10180	9.2
99.04478	3.8
99.08107	4.1
105.07028	16.6
107.05006	5.0
107.08599	24.8
109.06530	5.1
109.10156	27.2
111.04446	16.2
111.08107	6.1
113.09641	2.7
116.98494	1.7
117.07043	3.4
119.08614	10.5
121.06537	5.3
121.10156	16.1
123.08110	4.7
123.11682	7.8
125.06030	2.8
125.09692	5.7
127.07612	2.1
131.08583	10.2
133.10136	15.9
135.08113	2.9
135.11697	13.1
137.09608	8.5
139.11183	2.2
141.02110	1.6
141.09097	1.7
143.08638	4.1
145.10158	9.8
147.11761	5.3
149.09663	6.9
149.13336	4.9
150.99088	1.9
151.02719	1.7
151.11235	7.4
153.05420	3.6
153.12769	5.4
159.11739	6.7
161.09717	3.5
161.13216	2.3
163.11218	8.4
163.14838	1.9
165.09125	3.8
166.98563	2.4
167.10664	3.4
169.10194	2.4
169.12343	3.8
173.09799	2.3
173.13324	4.5
177.12804	5.4
181.12215	3.8
183.11688	1.7
191.10660	2.1
191.14360	3.3
195.13867	3.9
196.56659	1.6
197.13336	2.1
201.16422	4.8
209.11743	27.6
219.17487	6.2
219.21101	2.2
223.13365	4.5
223.20628	1.8
229.19713	2.4
237.11218	23.1
239.17807	2.6
244.99593	1.7
247.20563	10.0
255.12379	6.4
257.19049	6.2
265.21747	7.6
275.20074	40.5
293.18057	3.4
293.21124	100.0
311.02780	2.6
311.19153	1.9
311.23074	2.4
311.26010	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	311.2216
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03951	0.6
55.01871	1.5
55.05511	8.2
57.03432	0.7
57.07078	6.2
59.05021	0.7
67.05511	8.1
69.03434	0.8
69.07078	2.7
70.06583	0.7
70.24497	0.9
70.24866	1.6
71.05015	0.6
71.08638	9.8
79.05495	6.2
81.03439	0.7
81.07055	8.0
83.04973	2.9
83.08610	3.6
84.08113	0.5
85.02932	0.5
85.06516	0.7
91.05479	4.3
91.96493	0.6
93.07059	5.0
95.04959	2.8
95.08609	4.9
97.06522	1.6
97.10164	4.5
99.08103	5.3
105.07036	4.7
107.04959	2.4
107.08604	4.3
108.05772	0.7
109.02905	0.9
109.06515	1.5
109.10149	2.1
111.04442	5.5
111.08090	0.8
117.07011	1.4
119.08592	1.9
121.06518	3.6
121.10147	2.3
123.11723	0.8
125.05944	0.8
125.09656	3.0
131.08553	2.3
133.10146	1.7
135.04391	0.9
135.08066	1.6
135.11679	1.5
137.09587	0.7
139.11137	0.6
144.18826	0.6
145.10095	1.9
147.11685	0.9
149.09612	0.9
151.11211	1.5
153.05502	3.5
159.11688	1.0
161.09578	0.7
163.11185	0.9
165.12769	3.6
173.13339	0.6
177.12714	1.5
179.10442	0.5
181.04938	0.9
181.12213	1.8
181.22110	0.5
183.11633	0.6
189.11232	1.4
191.10718	2.7
195.13919	0.6
201.16492	0.5
209.11723	21.6
211.39276	0.5
237.11217	16.9
255.12254	4.5
265.21725	0.6
275.20062	6.0
293.21106	100.0
294.21347	0.8
311.18585	1.3
311.25790	1.6
311.31522	0.6
324.14084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03938	0.7
55.01874	2.7
55.05515	10.5
57.03434	0.6
57.07080	3.7
59.04993	0.7
65.03930	0.5
67.05178	0.6
67.05508	7.4
69.03417	1.3
69.06709	0.6
69.07068	5.4
70.01919	1.1
70.30676	0.4
71.04981	0.9
71.08632	8.0
74.33109	0.4
79.05498	5.4
81.03410	1.8
81.07057	7.5
82.67063	0.4
83.04995	3.0
83.08619	6.0
85.06505	0.6
91.05473	3.2
93.07046	5.1
95.04971	3.0
95.08604	4.5
97.06535	1.0
97.10174	9.0
99.08093	6.2
101.06027	0.4
105.07027	2.8
107.04964	2.7
107.08601	4.6
108.05712	0.8
109.02878	0.6
109.06531	1.9
109.10149	2.9
111.04438	2.8
111.08106	0.7
117.07014	1.0
119.08556	1.5
121.06501	4.1
121.10124	1.6
123.08085	0.6
123.11673	0.6
125.05965	0.9
125.09641	6.7
127.07542	0.5
129.05518	0.5
131.08572	1.5
133.10121	1.9
135.04404	0.5
135.08121	0.9
135.11690	1.2
137.09604	0.6
139.11156	0.5
145.06369	0.4
145.10141	1.2
147.11725	0.7
149.06064	0.6
149.09618	0.8
151.11179	1.8
153.05470	2.6
157.10164	0.7
159.11668	0.7
163.11221	1.4
164.12033	1.1
165.12732	1.1
167.10687	0.8
173.13287	0.6
175.11304	0.4
175.14777	0.4
177.11278	0.4
177.12692	2.2
181.04926	0.5
181.12250	1.0
189.11246	2.5
191.10680	2.1
191.14279	0.5
193.12228	1.2
195.13841	0.6
197.76906	0.4
201.12790	0.5
209.11731	12.9
211.13257	0.6
235.58167	0.4
237.11215	11.2
237.14888	0.8
247.20528	0.9
255.12312	2.9
257.19058	0.9
275.20081	7.5
293.21112	100.0
294.21481	0.9
311.18393	1.1
311.25867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03937	3.2
55.01873	31.0
55.05516	48.2
57.03434	4.4
57.05087	3.0
57.07077	26.8
59.04971	3.6
61.89000	2.6
65.03944	3.2
67.05510	51.8
69.03435	4.9
69.07075	26.7
70.06593	12.4
70.77396	8.6
71.05005	14.7
71.08611	5.5
79.05074	3.8
79.05501	50.2
81.03413	5.4
81.07061	75.4
82.70421	2.5
83.04977	28.8
83.08619	27.5
84.08142	5.4
85.06546	5.9
87.04490	3.1
91.05488	31.7
93.07050	42.5
94.07335	3.2
95.04977	16.6
95.08613	38.0
97.06545	32.4
97.10169	36.7
99.08092	5.3
105.07035	34.3
107.04940	8.5
107.08607	83.6
109.02854	5.0
109.06528	10.4
109.10162	19.7
111.04425	17.1
111.08080	7.7
113.05979	10.1
114.89036	2.6
117.07011	12.2
119.08577	20.5
121.06507	9.8
121.10138	20.3
122.09719	3.8
123.08080	7.7
123.11700	5.3
125.06028	15.3
125.09635	68.1
129.07036	8.5
131.08597	14.9
133.10132	16.8
134.05978	2.9
135.04459	5.1
135.08070	9.4
135.11681	15.3
137.09633	3.8
139.11154	8.0
143.08569	6.8
145.10167	17.5
147.11707	13.4
149.09654	8.2
149.13206	4.2
153.05513	18.9
153.06590	3.0
153.12762	10.1
157.10069	6.7
159.11688	11.5
161.13284	4.7
163.11174	12.0
167.10674	4.1
169.10042	3.2
173.11687	3.5
173.13101	5.5
174.13570	3.5
177.12753	7.1
181.04922	3.4
181.12335	14.4
185.13214	3.4
187.11317	4.3
187.13066	5.4
189.11253	31.6
191.10689	12.0
193.12199	4.3
205.12262	6.3
209.11736	89.0
211.13275	5.8
213.14793	5.5
223.13344	20.3
237.11234	69.9
237.14929	3.9
241.14374	4.4
241.17815	3.6
249.85620	3.0
255.12273	18.2
257.18985	12.0
275.17325	5.4
275.20105	79.1
293.17648	8.2
293.21085	100.0
311.19879	4.9
311.22217	5.1
311.25653	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03937	3.2
55.01869	7.5
55.05516	20.6
57.03437	5.5
57.07076	9.6
58.12309	1.8
67.05178	3.6
67.05508	39.2
69.03429	4.4
69.07070	21.2
70.06588	7.7
70.67876	5.6
71.04985	7.5
79.05485	26.1
81.03373	3.4
81.06596	2.8
81.07064	50.9
83.04993	7.4
83.08625	11.1
84.08163	3.5
85.06561	3.9
91.05483	28.6
92.05809	2.0
93.07046	30.3
94.07401	3.0
95.04974	7.8
95.08613	28.0
96.08068	2.2
97.06523	9.2
97.10168	7.9
105.07034	29.6
106.07318	2.5
107.04959	5.4
107.08601	21.1
109.02903	2.1
109.06516	8.3
109.10169	16.2
111.04440	7.0
111.08093	6.2
117.07028	10.2
119.08582	22.7
120.08930	3.0
121.06551	4.9
121.10126	17.0
122.09669	2.4
123.08097	6.1
123.11731	5.6
125.09632	5.3
129.06981	6.6
130.07393	2.5
131.08556	14.5
132.08931	3.8
133.10150	21.9
135.08075	4.0
135.11699	4.8
135.80525	2.2
137.09641	7.0
139.11198	5.8
141.07024	2.3
143.08572	4.4
145.10139	11.8
147.11688	12.0
149.09628	10.0
149.13292	2.8
151.11209	4.6
153.05437	6.2
157.10156	8.0
158.10432	3.4
159.11713	8.4
160.11995	1.8
161.09625	2.0
161.11684	2.1
161.13344	2.0
163.11171	4.6
163.14943	1.9
169.10130	2.9
171.11667	2.8
173.11751	3.2
173.13243	5.6
174.13635	4.4
181.12218	4.7
183.11789	4.2
185.13242	4.4
186.12750	2.3
187.11400	2.0
187.13219	4.1
189.11250	4.1
191.10669	4.1
197.13289	1.9
199.14862	3.4
203.12761	4.5
203.14413	3.6
209.11748	37.4
235.16982	3.3
237.11246	26.6
239.18095	3.3
253.17960	4.2
255.12338	7.5
257.18985	6.0
265.21600	2.8
275.20062	66.3
281.21082	3.5
293.17773	3.4
293.20966	22.9
311.25635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03940	4.3
55.01874	29.2
55.05268	4.0
55.05515	54.5
55.97902	3.1
57.03439	7.2
65.03923	4.0
66.05350	2.6
66.43853	2.6
67.05178	5.0
67.05510	56.0
69.03423	7.7
69.07071	29.4
71.05006	14.7
71.37160	4.6
71.89664	3.2
72.43795	3.1
72.74083	3.3
73.82019	2.9
77.97350	3.2
79.05067	4.9
79.05499	52.4
80.14352	2.7
81.03408	4.9
81.07061	78.7
83.04996	27.6
83.08624	33.7
85.06564	5.0
87.04382	3.6
91.05489	50.4
93.07050	41.3
95.04987	9.9
95.08617	40.8
97.06544	34.6
97.10173	32.3
105.07039	47.9
107.04945	6.8
107.07882	6.1
107.08596	82.9
108.97565	2.8
109.06506	9.4
109.10165	32.4
111.04456	7.1
111.08064	4.8
113.06020	7.8
117.07022	13.0
119.08577	24.9
121.06502	11.7
121.10145	24.5
123.08105	6.7
123.11716	3.8
125.06000	8.4
125.09641	66.2
129.07001	5.0
131.08591	24.3
133.10135	30.6
135.08040	8.7
135.11687	9.2
137.09596	5.9
139.11176	11.8
143.08582	4.1
145.10158	21.1
147.11700	10.7
149.09637	18.4
151.11131	3.1
153.12724	12.7
155.10663	8.6
157.09970	3.7
159.11703	17.0
163.11188	13.4
167.10738	4.0
169.10066	4.5
171.10254	7.4
171.11626	6.8
173.11743	14.1
173.13255	11.4
177.12683	8.2
179.10698	3.0
181.12212	9.0
183.11664	3.2
185.69554	2.9
187.11252	4.2
189.11211	30.3
195.13846	3.8
197.13266	3.9
205.12219	6.6
211.13339	5.6
213.14824	5.7
223.13272	12.7
239.17918	8.3
251.16397	4.4
257.16559	3.2
257.18942	15.5
271.03546	3.1
275.20078	100.0
286.20773	4.1
293.21100	67.3
311.22119	9.7
326.59741	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	311.2215
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.03932	0.6
55.01643	0.5
55.01852	2.8
55.05509	2.8
57.03436	0.4
57.07077	26.2
65.03915	0.4
67.05500	2.6
67.51262	0.5
68.99777	1.4
69.07045	1.3
70.06583	0.5
70.65490	0.8
70.65832	0.5
71.01343	1.1
73.70621	0.5
79.05498	2.8
81.03400	1.4
81.07050	2.3
83.04979	6.9
83.08611	2.0
85.02909	0.5
85.06538	0.5
91.05479	1.7
93.07046	3.0
95.04986	4.3
95.08591	1.6
97.02892	0.8
97.06537	2.4
97.10159	1.5
99.08070	0.6
101.02381	0.9
105.07013	1.6
107.04947	3.1
107.08595	2.8
109.02886	4.0
109.10143	0.9
111.04443	19.8
111.08039	1.6
117.07001	0.6
119.08562	1.4
121.10143	2.5
123.07986	0.6
125.02321	0.7
125.05990	7.0
125.09583	1.5
131.08586	0.9
133.10123	1.2
135.04463	2.6
135.07976	0.4
135.11685	1.1
137.09532	0.9
139.03928	0.6
139.11195	0.6
141.09081	0.8
145.10086	1.4
147.08044	0.7
149.09621	3.4
153.05461	18.9
153.09055	0.5
153.12712	0.7
156.62564	0.5
157.09993	0.5
163.03897	1.3
163.11198	4.8
165.09138	0.6
171.10208	0.5
173.09604	0.6
175.07542	0.8
177.09004	0.5
181.04935	4.6
181.12231	9.2
189.11211	1.2
191.08932	0.9
191.10669	12.5
193.05022	0.5
193.08655	0.9
195.10196	0.6
209.11728	100.0
210.12096	0.5
219.10115	1.5
223.13274	4.0
237.11218	87.5
238.11502	1.1
255.12282	25.7
265.17996	0.6
275.20081	4.1
293.17459	10.1
293.21106	4.9
311.18594	9.7
311.22046	1.5
311.25317	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	311.0914
Annotation	Ocophyllal A
Peak:m/z	Relative Intensity
51.02396	0.4
52.25626	0.3
53.03938	1.2
54.64891	0.3
55.01872	1.8
55.05507	0.9
57.07049	0.4
65.03932	0.8
65.55685	0.3
65.92599	0.3
67.05522	0.6
67.39204	0.3
68.99777	0.3
69.03445	0.3
69.07065	1.0
70.00215	0.6
70.00616	1.1
70.06586	1.1
71.04956	0.3
77.03931	0.6
79.05492	1.0
81.07040	1.1
83.08607	0.5
84.08112	0.5
86.09683	0.4
91.05478	14.5
93.07043	13.1
93.07637	0.7
95.04959	1.7
95.08595	1.3
97.10123	0.4
103.05463	10.4
105.04526	0.7
105.07037	1.0
107.04951	12.5
107.08593	1.4
109.06534	0.4
109.10161	1.1
119.04118	0.6
119.04945	9.8
119.08571	0.4
120.08156	0.5
121.02880	4.4
121.06501	100.0
131.04926	0.9
131.08577	0.4
133.10146	0.5
135.04433	0.9
145.10078	0.4
147.11707	0.5
149.05983	5.9
150.06750	0.5
163.03899	72.0
189.05550	0.4
275.20050	0.5
276.91629	0.3
311.09125	68.2
311.20038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.09386	1.0
53.03936	2.7
55.01874	10.2
55.05514	43.2
57.03430	2.0
57.07066	2.5
59.04986	1.4
61.74231	0.9
65.03910	1.1
67.05507	24.0
69.03419	4.1
69.07078	12.4
70.06594	2.4
70.62984	2.2
71.04994	4.0
71.08635	12.1
74.58566	0.8
77.10201	0.8
79.05499	21.0
81.03419	13.9
81.06598	1.6
81.07063	30.0
83.04987	13.6
83.08157	1.9
83.08624	29.3
83.09125	1.4
84.08144	1.7
85.02892	1.5
85.06528	2.6
91.05482	12.4
93.07047	19.3
95.04974	23.8
95.08611	14.0
97.02909	1.1
97.06554	4.9
97.09555	1.8
97.10176	27.5
99.07576	1.1
99.08102	11.0
105.07041	9.7
107.04929	6.1
107.08597	19.8
109.06498	4.7
109.10161	9.7
111.04456	9.1
111.08083	9.3
112.34319	0.9
113.09624	1.1
115.05494	1.1
117.07008	6.0
119.08577	6.7
120.08111	1.2
121.06519	6.8
121.10155	7.9
123.08062	2.6
123.11703	2.2
125.08786	1.5
125.09641	23.4
129.06995	3.5
131.08580	8.0
133.06516	1.3
133.10150	7.9
135.08041	4.1
135.11729	6.9
137.09532	2.2
137.13313	1.0
139.11227	1.7
141.09103	1.1
142.07639	1.2
143.08575	1.9
145.06509	0.9
145.10121	9.1
147.08047	2.5
147.11635	4.7
149.05928	1.4
149.09645	9.8
149.13249	2.2
151.11218	1.9
153.09074	6.2
153.12729	3.1
157.10155	3.0
159.08099	1.0
159.11710	5.3
161.09550	2.1
161.13229	1.8
162.68683	0.9
163.11200	29.1
165.09209	1.0
165.12758	3.0
167.10704	3.3
169.10143	1.4
171.10107	1.4
171.11700	1.1
173.09579	1.7
173.13300	1.5
175.11211	2.3
177.05476	1.5
177.12720	4.5
181.12202	3.5
183.11615	1.5
185.11775	1.2
187.11160	2.0
189.11230	18.2
189.12830	1.1
191.10669	2.6
193.12288	6.7
195.13806	10.1
205.12297	2.0
209.11673	1.6
211.13272	5.8
223.13269	8.1
227.12683	1.4
229.19505	2.1
247.20590	4.3
249.22107	2.1
257.19028	5.3
265.21667	1.1
275.17310	1.7
275.20084	22.0
293.21136	100.0
311.09222	1.7
311.22128	9.3
311.25604	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	310.253
Annotation	Holaromine
Peak:m/z	Relative Intensity
51.92066	0.3
53.03942	0.5
55.05502	1.0
57.07088	0.5
67.05510	1.9
67.05793	0.3
68.68127	0.3
69.07075	1.6
69.22749	0.3
70.06255	0.5
70.06598	5.3
70.76276	0.5
70.76586	0.4
75.47065	0.3
79.05080	0.5
79.05500	4.3
81.07068	3.4
83.07378	0.7
84.08127	0.4
88.45208	0.3
91.05492	4.5
93.07048	4.6
94.06560	0.4
95.08606	1.4
96.08121	2.5
105.07031	4.8
107.08612	2.4
107.96054	0.4
108.08128	0.9
108.71756	0.4
109.10140	0.4
112.53891	0.3
114.97442	0.3
117.07037	2.6
118.06532	0.6
119.07809	0.4
119.08588	4.4
119.11015	0.3
120.08108	1.4
121.10171	0.6
122.09681	5.1
128.06194	1.3
129.07008	5.3
130.07736	0.4
131.08585	5.4
132.08223	0.3
133.09003	0.4
133.10118	1.7
134.09679	1.0
135.10497	0.4
135.11685	0.4
136.11208	1.4
137.12010	1.5
137.31212	0.3
142.07796	0.8
143.08562	3.4
144.09303	0.7
145.10124	3.8
146.09631	2.5
147.10402	0.4
147.11641	0.4
148.11194	0.9
150.12761	0.9
155.08646	0.5
156.09300	0.4
157.08929	0.7
157.10127	4.7
158.09653	1.0
158.10921	0.5
159.11661	0.9
160.11264	1.7
161.12076	0.4
161.13304	1.3
162.12750	1.2
169.10101	1.1
170.09637	0.8
170.10941	0.4
171.11734	2.1
172.11255	0.8
172.12531	0.6
173.13277	5.4
174.12794	3.6
175.14854	0.7
183.11765	0.7
184.11157	0.7
185.11877	0.5
185.13327	1.6
186.12781	6.9
187.13492	0.5
188.14340	1.2
190.15970	0.8
193.51427	0.4
196.11177	0.5
198.12813	1.2
199.14816	1.2
200.14389	1.5
210.12662	0.5
211.13606	0.3
212.14297	3.0
213.15132	0.6
214.15907	0.4
224.14319	1.0
226.15916	3.2
227.18001	0.8
228.17404	1.9
229.18199	0.6
238.15965	1.8
240.17476	4.1
241.18315	1.4
242.19063	0.5
252.17444	3.0
253.18384	0.5
254.19040	2.2
266.19083	1.5
280.20621	2.9
281.21457	1.0
308.23798	1.0
310.25296	100.0
311.25616	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24094	0.2
53.03934	0.3
55.05272	0.2
55.05515	2.5
56.05022	0.4
57.03418	0.3
57.07066	0.3
64.43633	0.2
67.05508	2.2
68.05024	0.2
69.07062	1.7
70.06593	11.2
71.03236	0.5
71.06924	0.2
72.08118	0.3
79.05489	3.0
80.05007	0.3
81.07056	3.3
82.06571	0.4
83.07369	1.3
83.08616	0.4
84.04512	0.2
84.08145	0.9
84.31432	0.2
86.09688	0.2
91.05477	3.1
93.07037	2.6
94.06562	0.4
95.04954	0.3
95.08611	1.0
96.08128	1.8
97.10118	0.3
98.26733	0.2
105.07035	4.1
107.07355	0.2
107.08591	1.7
108.08091	0.7
109.08910	0.4
109.10163	0.3
110.09681	0.8
111.10454	0.2
112.03962	0.4
112.11240	0.8
114.05499	0.2
115.05437	0.5
115.35712	0.2
117.07018	2.0
118.06517	0.4
119.07816	0.3
119.08591	4.2
120.08110	1.5
121.06487	0.4
121.10139	0.7
122.09669	6.9
124.11239	0.3
127.64127	0.2
128.06197	1.5
129.07007	8.4
130.07774	0.3
131.08563	3.9
132.08028	0.2
133.09029	0.4
133.10130	2.1
134.09653	0.8
135.10425	0.2
135.11751	0.2
136.11229	1.3
137.05896	0.2
137.12012	2.3
138.12726	0.4
141.06940	1.0
142.07765	1.7
143.08560	5.7
144.08217	0.2
144.09329	1.1
145.10123	3.3
146.09598	0.9
147.10451	0.4
147.11665	0.7
148.11151	1.0
150.12779	0.6
155.08598	1.2
156.09203	0.4
157.08936	0.5
157.10121	8.6
158.09615	0.7
158.10805	0.3
159.10454	0.3
159.11696	0.6
160.11229	0.6
161.13283	0.4
162.12723	0.4
169.10081	1.0
170.09608	0.8
170.10970	0.6
171.10287	0.4
171.11684	3.8
172.11145	0.5
172.12473	0.7
173.11905	0.2
173.13271	4.3
174.12781	2.6
175.14851	0.5
181.10129	0.4
181.15820	0.2
183.11681	0.8
184.11214	0.9
185.11986	0.2
185.13301	1.5
186.12769	4.1
187.13565	0.8
188.14348	0.7
190.15915	0.5
195.11748	0.3
196.11206	0.4
197.11832	0.3
197.13373	0.4
198.12740	1.1
199.13284	0.3
199.14865	2.9
200.14383	0.6
202.15956	0.2
204.17540	0.3
209.13422	0.2
210.12727	0.7
211.13336	0.4
212.14290	3.2
213.15002	0.3
214.15877	0.2
216.17453	0.3
223.14909	0.2
224.14357	1.9
225.15126	0.5
226.15880	3.6
228.17427	1.4
237.15024	0.2
238.15910	1.4
240.17477	4.4
241.18356	1.2
241.19904	0.2
242.19038	0.3
250.15735	0.3
252.14926	0.4
252.17462	5.0
254.19038	2.1
255.19830	0.2
266.19089	2.3
268.20560	0.2
280.20544	2.6
281.21335	0.9
292.19742	0.2
294.22095	0.3
308.23642	0.8
310.25272	100.0
311.25592	1.0
329.13928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01869	2.5
55.05518	13.1
56.05011	1.1
63.16368	0.9
67.05508	12.5
69.03430	2.4
69.07076	13.6
70.05575	3.9
70.06590	6.1
71.05003	1.5
71.28503	0.8
72.08157	0.9
73.33662	0.8
76.65581	0.8
79.05502	12.5
81.03432	1.5
81.07064	20.7
82.07396	0.9
83.04972	3.7
83.08624	3.1
84.04500	2.2
84.08145	3.9
85.02900	1.6
85.06532	1.1
86.09714	1.5
91.05484	11.7
93.07050	15.8
95.04986	5.3
95.08618	12.7
96.04486	1.9
97.06559	5.1
97.10165	4.2
98.03220	1.0
98.06066	10.6
98.09687	1.8
103.05486	1.2
105.07044	14.6
106.06595	0.9
107.04927	1.6
107.08612	7.2
108.08139	2.8
109.06538	9.0
109.10162	3.6
110.06065	6.6
111.08053	1.6
117.07019	3.0
117.30019	0.9
119.04929	0.9
119.08596	8.1
120.08115	3.5
121.06516	74.5
121.10155	7.5
122.06023	3.3
122.09649	1.4
123.04425	8.9
123.06831	2.3
123.08121	4.7
123.11722	1.4
124.07587	2.5
125.09647	0.9
128.06241	1.0
129.06987	2.7
129.10258	1.5
130.06570	0.9
131.08589	7.8
132.08063	1.2
133.06467	2.6
133.10179	5.2
134.06035	1.1
135.08054	9.0
136.07588	10.7
137.06004	2.1
137.09637	2.0
139.11148	0.9
141.06964	1.2
143.08598	4.5
145.06494	4.2
145.10147	5.7
146.07278	1.0
147.08066	29.9
147.11676	1.5
148.07538	1.3
149.05995	2.6
149.09624	2.8
150.09184	1.6
155.08513	2.5
157.10144	1.9
159.08049	6.1
159.11703	1.4
161.09621	16.1
162.05440	1.5
162.09114	1.3
163.07555	2.5
169.10153	2.0
171.08006	2.1
173.09641	6.0
175.11195	1.9
175.14827	1.0
176.10760	1.2
185.09613	0.9
185.13170	1.4
187.11165	1.9
187.14825	1.2
190.12383	1.1
191.14201	0.8
194.11781	1.9
195.13908	1.2
197.09650	0.9
201.16534	1.0
203.14342	1.3
204.13963	1.2
208.85020	0.8
211.14853	1.1
212.13011	1.0
212.16393	1.4
213.12784	1.3
218.15332	1.3
220.16885	1.9
221.13251	0.9
229.15883	8.0
234.08549	1.1
237.14914	3.0
238.37671	0.8
239.14406	5.1
246.14937	1.4
246.18539	1.8
247.16980	11.5
248.16487	13.9
249.14908	0.9
257.15411	9.8
264.16010	5.5
264.19257	1.2
266.17542	27.2
267.15976	15.3
274.14639	1.7
274.18045	3.4
275.16360	7.2
292.12186	1.2
292.15448	5.2
292.19110	5.6
298.05444	0.9
310.16760	5.2
310.20145	100.0
310.96091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
53.80640	0.9
55.01877	2.6
55.05513	4.3
55.42365	0.8
56.05037	2.2
56.12225	1.0
57.03438	3.1
57.07076	0.9
65.03936	1.1
67.05513	5.8
69.03423	2.7
69.07069	3.6
70.06590	22.2
70.84387	2.2
71.04977	1.3
72.08149	3.5
77.03922	1.0
79.05495	24.9
80.05012	3.7
81.03421	1.9
81.07063	15.3
82.06593	1.2
83.04991	2.7
83.08630	1.1
84.04498	2.4
84.08150	13.6
85.02905	2.0
85.08485	1.2
86.09713	11.0
91.05484	16.5
93.07046	17.3
93.68691	0.9
94.02931	19.7
94.06570	2.8
95.04986	5.7
95.05515	0.9
95.08618	6.6
96.04497	4.2
96.08127	2.6
97.02876	1.5
97.06544	1.4
98.06061	3.6
98.09708	1.7
103.05475	2.0
104.04981	1.0
105.04514	1.5
105.07037	22.1
106.06583	1.0
107.04964	14.8
107.07355	1.5
107.08595	9.5
108.04481	2.3
108.08109	1.6
109.06524	7.2
109.10164	1.5
110.06060	1.4
110.07195	1.7
111.04430	1.1
115.05470	1.4
116.06256	1.6
117.03423	1.7
117.07008	6.1
119.04926	1.2
119.08600	2.6
120.08122	7.4
121.06526	8.1
121.08450	1.2
121.10153	9.1
122.06049	1.0
122.09684	9.4
123.08075	37.1
123.11742	1.3
124.03934	1.2
126.05502	3.7
129.07016	3.4
129.10240	5.0
131.08577	24.5
132.08104	3.4
133.06528	4.7
133.07410	1.2
133.10138	6.2
134.06064	2.3
135.04396	2.5
135.08070	2.2
135.11707	2.0
136.07574	12.5
137.05974	4.1
138.09189	3.4
139.03961	1.2
143.08580	3.1
145.02856	3.9
145.06485	1.6
145.10135	2.6
146.09782	1.1
147.04414	2.0
147.08069	2.6
147.09171	1.9
147.11624	1.4
148.11201	4.3
149.05949	1.3
149.09630	39.4
150.09142	15.2
151.07526	1.5
151.11215	1.4
157.10115	1.8
158.09689	1.0
159.08047	6.7
159.11664	2.7
161.05913	1.2
161.09686	1.7
161.13226	1.2
164.07126	1.5
165.05533	1.0
166.12276	2.5
168.10207	93.0
169.08604	5.9
169.10071	1.3
171.08020	1.2
171.11626	1.3
173.09686	1.9
173.13272	1.0
175.07533	1.0
175.11205	1.4
176.07065	1.2
176.10710	6.2
177.05502	9.1
177.09093	14.5
185.09641	1.3
185.13248	1.4
187.11194	4.9
189.09059	2.2
194.08128	4.4
194.11774	100.0
201.09154	2.4
201.12776	4.4
201.16441	2.4
203.10815	1.6
203.14433	1.8
205.12248	1.4
211.14784	1.0
212.12827	78.1
213.08856	1.3
213.12958	1.3
215.10652	1.3
229.12282	2.2
229.15839	4.5
231.13832	1.3
239.14247	1.3
246.11267	4.0
256.16986	1.2
256.36707	1.2
257.15448	2.9
264.12357	1.5
274.14868	1.9
274.18030	19.9
275.16364	2.0
287.14877	1.4
292.11777	5.5
292.15192	2.2
292.18863	1.5
310.16467	17.5
310.20166	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59932	0.7
53.03940	1.2
55.01869	3.7
55.05523	9.5
56.05024	2.7
57.03424	2.1
57.07069	2.1
59.05001	1.1
65.03936	1.3
67.05499	8.7
67.39865	1.0
69.03422	5.4
69.07068	7.1
70.06586	5.2
71.04981	3.7
71.08637	1.4
71.10430	1.7
72.08157	12.1
73.02905	0.9
79.05502	9.1
81.03426	1.6
81.07066	11.8
82.07370	2.4
83.01325	0.9
83.04974	4.0
83.08616	2.2
84.04512	16.8
84.08131	4.0
85.02914	7.1
85.06516	1.2
86.09693	1.2
87.04443	0.9
91.05485	15.1
92.05762	0.9
93.07051	14.6
94.02966	4.5
94.06512	1.0
94.07364	1.4
95.04974	5.1
95.08607	6.5
96.04484	2.0
96.08948	2.2
97.02892	10.3
97.06537	2.5
97.10180	1.7
98.09667	1.3
99.00811	3.1
99.08117	1.7
103.05447	3.7
105.07032	13.7
107.04979	2.7
107.08594	7.2
108.08149	1.7
108.08880	1.6
109.06554	4.3
109.10156	3.4
110.06061	6.7
111.04437	7.1
112.03972	10.7
113.02393	1.4
113.05991	1.2
114.06289	0.9
115.05452	2.5
116.06240	1.1
117.07025	11.6
118.08654	3.9
119.04958	5.0
119.08594	6.8
119.23614	0.9
120.08070	1.7
121.02827	0.9
121.06522	11.8
121.10162	4.7
122.06001	1.1
123.04453	4.4
123.06812	1.4
123.08062	1.9
123.11739	1.0
123.49880	1.0
124.03983	2.0
124.07539	1.0
125.05943	1.3
125.09672	1.0
127.03947	1.2
128.06241	1.2
129.07011	4.1
130.04999	4.9
131.08565	7.8
132.05743	1.0
132.09329	0.8
133.06508	3.1
133.10141	5.3
135.04477	1.1
135.08047	2.9
135.11662	2.4
136.12067	1.0
137.05983	4.7
141.06960	1.1
142.07800	1.7
143.08557	3.2
145.06461	6.8
145.10114	4.8
147.08063	3.3
147.11720	3.0
149.05969	2.5
149.09599	2.2
149.37399	0.9
151.03900	1.9
151.07529	1.3
151.11174	6.5
152.07036	1.3
153.02130	2.0
153.12732	2.0
155.08546	2.5
157.06490	8.1
157.10219	1.9
159.08066	3.5
159.11638	2.2
161.06030	4.7
161.09676	1.3
161.13266	1.3
163.03966	1.0
163.07562	2.0
163.11200	2.1
165.03720	0.9
165.05487	1.3
168.09328	1.3
169.10211	1.1
171.11726	1.1
172.01634	5.0
173.05981	7.3
173.09647	2.7
173.13217	2.0
173.80418	0.8
175.07565	2.2
175.11237	5.5
177.05489	2.5
177.09169	1.6
177.12758	0.8
179.06999	1.2
180.13834	15.2
181.12263	7.0
183.08066	1.1
183.11705	1.3
185.09602	1.6
187.07574	2.6
187.11183	1.5
189.12830	1.0
191.07037	6.9
191.10680	1.8
194.11716	1.7
199.11217	1.4
201.12749	1.8
203.07083	1.6
203.10667	2.5
203.14276	1.2
205.08611	2.1
205.12314	3.0
211.11310	1.8
212.14304	2.9
215.07021	2.1
219.06491	1.9
229.07193	1.0
229.12270	13.9
231.13759	1.2
233.11729	3.3
237.14915	1.0
247.13310	14.8
248.16422	1.3
249.15033	1.0
257.11682	1.9
264.15823	1.5
264.19495	2.6
265.14645	1.6
274.18234	1.1
275.12784	100.0
276.12656	0.9
280.20670	1.7
292.15466	7.3
292.19199	5.5
293.13794	3.7
310.01532	1.2
310.16528	12.2
310.20428	7.0
310.25278	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2791
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
51.48990	1.1
53.03939	3.3
53.83594	1.1
54.10658	1.4
55.01865	4.8
55.05515	32.2
57.03436	12.4
57.07079	16.9
59.05000	2.7
60.18623	1.1
65.03942	1.6
67.05145	1.8
67.05507	40.7
69.03436	6.4
69.07073	66.9
70.06596	1.8
70.76875	2.1
71.04997	5.7
71.08636	11.4
73.06561	2.4
79.05495	29.3
81.03422	3.3
81.07063	100.0
82.07410	1.4
83.04983	4.6
83.08154	2.1
83.08624	31.6
85.02884	1.8
85.06545	8.4
85.10172	4.7
87.04527	1.1
91.05489	18.1
91.98879	1.1
93.07052	45.6
95.04987	8.1
95.08614	86.3
97.06536	13.4
97.10182	16.0
98.09644	1.3
99.08103	7.2
100.11234	1.2
101.06058	1.2
105.07042	25.5
107.04969	2.5
107.08601	42.1
107.67843	1.2
108.08091	2.5
109.02886	1.6
109.06528	8.4
109.10163	49.4
111.08093	8.2
111.11723	9.5
113.06017	2.5
113.09695	2.0
115.07566	1.4
117.07008	5.3
119.08589	18.4
121.06522	2.9
121.10161	28.2
123.04395	1.6
123.08074	5.2
123.10840	1.9
123.11722	36.6
125.05999	1.3
125.09615	4.6
125.13267	4.7
127.07529	3.0
129.06975	2.7
131.08588	7.4
133.10127	13.9
135.08083	6.0
135.11702	23.0
137.09622	5.7
137.13261	15.6
139.11195	4.5
141.06909	1.2
142.07744	1.6
143.08563	3.2
145.10124	7.0
147.08038	3.3
147.11687	15.1
149.09619	3.2
149.13271	18.3
151.11171	3.3
151.14867	5.5
153.12701	5.4
157.10115	3.4
159.11696	4.3
161.09616	3.9
161.13304	6.8
163.11157	2.2
163.14828	12.4
165.09085	2.7
165.12761	5.0
165.16328	1.6
167.14328	1.9
171.11682	2.4
173.13210	2.5
175.11221	2.5
175.14821	6.2
177.16389	7.3
179.14328	1.8
181.06622	1.1
185.13321	1.6
189.12808	2.0
189.16360	4.2
190.04999	1.6
191.17935	4.9
193.15750	1.1
199.14891	2.8
203.17972	3.5
207.13802	1.4
211.09572	1.2
217.15932	5.6
217.19487	7.5
219.13823	2.9
219.21164	1.3
221.19087	1.6
224.18228	1.2
227.17923	1.5
233.15355	2.8
245.19022	2.1
246.76923	1.3
251.16397	1.7
255.17371	2.0
263.20148	3.5
263.27646	1.6
273.18546	13.6
273.25739	13.1
291.17038	1.4
291.19641	15.6
291.26816	24.2
309.13324	2.4
309.20532	4.6
309.27899	13.2
313.49234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2787
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03944	2.2
55.01873	3.3
55.05512	33.4
56.96561	2.3
57.03431	4.4
57.07079	24.1
59.04994	2.7
65.03938	1.3
67.05508	42.3
69.03426	4.1
69.07071	66.4
70.06594	3.5
70.48948	3.1
71.04995	6.2
71.08636	15.4
72.08147	2.0
73.06558	2.5
79.05495	27.7
81.03420	3.0
81.07057	100.0
83.05000	5.7
83.08627	35.5
84.08154	4.1
85.02912	3.3
85.06551	4.9
85.10167	5.3
86.09725	2.1
87.08144	1.2
91.04973	1.7
91.05488	17.8
93.05780	1.7
93.07047	46.1
95.04968	8.1
95.08611	91.8
97.02877	2.1
97.06533	8.6
97.10174	34.9
98.98455	2.5
99.08101	4.3
105.07033	25.6
106.07357	1.5
107.04961	2.0
107.08596	36.3
108.08120	26.9
109.06495	6.6
109.10160	56.7
111.04446	1.1
111.08105	9.2
111.11732	10.4
113.09621	2.1
116.04962	5.2
117.07025	3.3
119.08588	17.8
120.08139	1.3
121.06499	5.7
121.10143	28.4
123.04415	5.2
123.08083	6.9
123.11706	35.7
125.05969	1.4
125.09641	6.6
125.13248	6.2
127.03917	1.5
127.07581	2.2
129.07031	1.9
131.08575	4.7
133.06508	1.6
133.10138	15.3
135.08060	2.4
135.11699	23.2
136.07585	2.9
137.06010	1.6
137.09651	5.3
137.13257	19.1
139.11156	6.7
139.46545	1.0
141.09181	1.2
143.08577	1.8
143.10670	8.4
144.04440	2.5
145.10136	2.0
146.06024	2.3
147.04411	2.4
147.08069	1.6
147.11682	19.7
149.13257	18.6
149.14386	1.4
151.11183	3.9
151.14835	6.3
153.12758	4.7
155.10704	2.7
157.10136	1.4
157.12254	1.3
161.13237	10.6
163.11185	2.0
163.14835	11.3
165.09146	1.9
165.12813	7.8
165.16420	2.6
169.12164	1.6
169.16010	1.0
171.10216	1.1
171.11729	1.3
174.05469	1.6
175.11166	1.3
175.14848	5.4
176.10861	1.2
177.16399	5.4
179.14372	1.7
179.17955	2.2
183.13751	2.3
189.11200	2.7
189.12808	2.1
189.14767	1.1
189.16389	4.8
190.05040	10.2
191.17946	3.9
193.12128	1.6
193.15962	1.3
194.11795	2.2
195.17401	1.2
199.14769	1.9
203.17932	4.4
205.19661	1.1
207.17451	1.2
209.19078	1.2
217.19490	6.1
225.83105	1.1
233.22810	1.4
235.13478	1.6
235.16896	1.3
235.20621	1.8
251.80818	1.2
255.17387	1.7
263.16437	2.2
273.14816	1.1
273.18552	3.5
273.25729	20.7
281.12802	3.9
291.16077	2.6
291.19604	4.3
291.23428	1.4
291.26767	20.5
300.37012	1.1
309.12433	4.6
309.15204	5.4
309.20590	6.4
309.24377	4.1
309.27740	24.1
327.14731	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03947	3.9
54.29747	1.4
55.01874	11.8
55.05513	42.2
57.03428	6.4
57.07079	10.1
59.05000	4.5
62.38334	1.7
65.03937	4.0
67.05505	68.0
69.03424	9.2
69.07071	38.5
69.29072	14.0
71.03899	1.5
71.04990	4.1
71.08633	37.7
79.05495	51.5
80.71957	1.5
81.03414	6.4
81.07056	74.3
83.04980	15.8
83.08618	26.8
85.06537	8.6
85.10182	2.0
85.35518	1.6
88.57481	1.7
91.05485	40.0
93.07043	71.2
95.04974	22.8
95.08612	53.0
97.06523	19.5
97.10164	12.3
99.08093	33.7
104.10751	2.1
105.07038	30.9
107.04967	3.6
107.08596	33.5
107.56343	1.5
109.06529	9.4
109.10156	21.4
111.08097	10.3
113.09642	2.4
117.07000	9.5
119.08585	26.0
121.06518	6.1
121.10151	27.1
123.08072	5.2
123.11725	7.3
125.09639	5.9
127.07587	1.9
129.07033	8.4
129.52461	1.7
131.08577	9.4
133.06494	1.7
133.10130	24.7
135.08051	3.1
135.11682	18.9
135.96683	1.6
137.06024	2.9
137.09648	5.5
137.13269	4.4
138.52997	3.3
139.07555	5.1
139.11174	16.5
143.08603	4.4
145.10103	13.0
147.08109	2.2
147.11682	20.9
149.09627	5.8
149.13226	14.2
151.11176	20.6
153.12756	4.5
157.08929	1.8
157.10135	9.6
157.53793	2.4
159.11723	5.4
161.09709	3.4
161.13246	16.5
163.11182	12.2
163.14841	5.4
165.12747	9.2
167.14311	3.0
171.11674	7.3
173.13309	4.1
175.11197	7.8
175.14833	8.6
177.12730	3.3
177.16389	2.4
179.14310	7.6
181.12149	2.3
184.07445	1.6
185.13297	6.4
189.12805	3.2
193.12242	7.2
193.16008	2.1
195.13686	1.9
199.14859	1.7
203.17905	2.6
207.13844	3.5
217.19556	3.9
221.15356	5.9
231.21129	4.4
235.16995	1.9
241.19519	12.7
249.22173	5.0
259.20578	16.7
267.64746	2.8
277.21628	100.0
279.23218	1.8
291.19553	4.3
291.23199	14.1
295.22632	4.5
309.24301	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03943	6.4
55.01857	4.5
55.05511	13.6
57.03428	6.3
59.04955	1.6
63.92494	1.6
64.31245	1.6
65.03966	2.5
67.05186	2.1
67.05510	31.1
69.03447	3.2
69.07063	18.8
69.68305	3.1
69.68715	7.2
71.04987	4.3
71.08637	1.9
79.05494	30.2
81.03423	3.6
81.07054	37.7
83.04984	3.1
83.08637	4.5
91.05483	41.4
93.07048	73.9
95.04971	50.9
95.08606	38.5
97.06525	19.2
103.05450	3.5
105.07033	74.8
107.04977	2.1
107.08601	40.6
109.06519	11.4
109.10155	23.0
115.05455	3.2
117.07026	16.3
119.06073	2.0
119.08581	53.4
121.06538	8.8
121.10147	100.0
123.08084	10.0
123.11713	7.1
128.06224	7.8
129.07007	13.7
130.07762	7.1
131.08560	33.5
133.06549	4.0
133.10138	34.4
135.07988	4.3
135.11674	8.4
141.06987	6.6
142.07791	13.4
143.08548	27.1
144.09341	7.9
145.10132	43.0
147.08101	4.8
147.11702	12.3
149.09560	3.9
149.13242	2.6
154.07707	1.9
155.08583	10.6
156.09372	10.4
157.10124	30.2
158.10915	4.9
159.08067	3.9
159.11690	39.8
161.09645	9.5
161.13229	7.8
163.11139	2.6
165.07057	3.0
167.08513	4.1
168.09456	2.3
169.10132	18.2
170.10910	5.8
171.11684	16.7
173.09645	2.7
173.13324	15.3
175.14771	9.2
179.08528	4.6
181.10136	5.0
182.10933	2.9
183.11713	9.4
185.09673	1.8
185.13232	10.8
187.11203	11.3
187.14853	18.7
189.12822	5.4
193.10123	2.3
195.11661	4.8
196.12640	1.8
197.13295	11.0
199.14836	9.1
201.16356	2.1
207.11757	3.3
209.13257	7.8
210.13937	1.8
211.14876	7.5
213.16426	5.8
215.14261	2.5
219.11723	2.7
220.12555	2.7
221.13220	4.2
223.14905	2.1
225.16406	5.9
235.14813	5.1
237.16467	2.6
239.14151	2.3
239.17786	3.3
249.16344	1.9
253.15942	4.7
253.19615	2.7
265.19666	2.9
277.21603	2.6
281.22684	5.4
283.26831	1.7
291.21100	6.2
309.22150	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.6
55.01857	6.6
55.05505	15.1
57.03437	3.8
57.07052	4.3
62.54740	2.1
65.03915	3.4
67.05506	30.9
69.03413	3.2
69.07069	25.0
69.90440	5.1
69.90834	4.3
71.04976	4.4
71.08611	5.4
77.03948	2.2
79.05086	2.6
79.05503	36.7
81.03391	6.1
81.07066	47.9
83.04960	2.6
83.08601	7.7
91.05484	39.8
93.06492	3.7
93.07050	64.8
95.04975	55.5
95.08610	45.6
97.06528	18.5
97.10181	4.0
99.08086	5.0
103.05444	2.9
105.04552	2.1
105.07037	79.1
107.08600	38.3
109.06545	11.7
109.10168	26.4
111.08065	3.1
115.05442	4.7
117.06992	16.3
119.08587	68.9
121.06502	11.2
121.10146	91.6
123.08055	8.1
123.11680	7.8
128.06219	6.0
129.07040	11.2
130.07776	4.3
131.08575	31.5
133.06648	2.5
133.10129	41.6
135.08064	6.1
135.11702	13.6
137.09691	2.8
141.06978	6.9
142.07802	15.5
143.08566	29.8
144.09334	6.7
145.06381	2.7
145.10136	44.9
147.08011	7.2
147.11700	14.9
149.09613	4.0
151.11237	3.1
155.08525	12.3
156.09346	8.9
157.10121	29.6
158.10941	4.1
159.08014	3.8
159.11693	35.4
161.09625	6.9
161.13264	6.8
163.11197	3.9
167.08549	6.0
168.09314	3.4
169.10118	21.4
170.10909	4.4
171.11693	23.8
173.09642	4.5
173.13281	18.6
174.13957	2.4
175.14816	8.0
179.08524	3.7
180.09494	3.2
181.10098	6.5
182.10910	4.9
183.11691	17.3
185.09474	3.2
185.13258	12.7
187.11201	11.3
187.14784	19.9
189.12758	3.2
193.10092	4.3
195.11662	10.5
196.12465	4.2
197.13261	13.9
199.14853	13.2
201.12755	5.1
201.16336	3.7
206.10902	4.2
207.11723	6.4
208.12390	3.2
209.13214	7.2
210.14067	3.6
211.14816	9.4
213.12685	3.5
213.16417	7.5
215.14299	4.4
220.12294	2.5
221.13272	6.2
221.22336	2.3
222.34830	1.9
223.14737	4.4
225.16272	6.9
235.14795	6.3
239.17998	5.6
249.16402	5.8
253.15804	6.3
253.19467	3.4
259.36429	2.3
265.19336	3.6
267.17487	2.2
277.21591	3.8
281.22714	6.4
288.57327	2.4
291.21136	12.3
309.22113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.9
55.05512	3.9
57.03413	0.9
57.07074	0.8
67.05184	0.7
67.05505	5.1
69.07066	3.6
69.40369	5.3
73.32475	0.7
79.05499	5.5
80.70171	0.7
81.07059	28.5
83.04969	1.6
83.08610	2.3
91.05495	3.5
93.07088	3.7
95.04950	2.5
95.08616	6.4
97.06530	1.6
105.07047	3.5
107.08587	4.6
109.06514	12.2
109.10173	4.4
111.04449	14.0
111.08044	1.2
117.07004	1.3
119.08573	4.5
121.10178	3.4
123.08073	2.3
123.11685	1.1
125.05978	3.2
131.08537	1.1
133.10132	5.3
135.08130	1.8
135.11670	4.1
137.05981	100.0
137.09593	1.7
137.13254	1.0
143.08571	2.6
145.10153	1.2
147.08070	1.7
147.11678	4.8
149.09613	3.6
149.13274	1.1
151.07533	2.5
151.11235	0.8
156.62706	0.7
157.10089	2.3
161.09618	4.7
161.13240	1.5
163.11205	2.6
165.09128	3.0
171.11719	1.9
175.11215	4.0
175.14877	1.1
179.10687	1.7
180.11443	1.8
181.12204	0.8
183.11841	0.8
189.12788	1.1
197.13087	0.8
203.17973	6.1
210.06079	0.7
213.16347	0.7
221.19005	1.0
231.17436	8.1
241.15930	1.9
249.18492	11.1
277.17996	63.0
291.19601	0.8
295.19052	8.5
309.22385	2.2
309.32620	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03944	3.7
55.01875	19.5
55.05511	26.2
56.03896	0.9
57.03442	6.4
57.03675	1.0
57.07075	2.8
59.05000	1.4
65.03936	2.5
67.05506	71.3
69.03419	5.8
69.07067	26.9
69.07850	1.2
69.96739	4.7
71.04993	10.2
76.25134	1.0
79.05492	39.1
81.03419	3.1
81.07057	83.3
83.01335	2.4
83.04983	17.3
83.08625	10.2
85.02881	1.8
85.06548	8.3
91.05482	52.7
93.07047	49.0
93.07641	2.2
95.04984	12.3
95.08609	25.3
97.02872	1.6
97.06533	6.4
97.10162	2.5
99.04471	5.3
99.08125	2.5
105.06325	2.3
105.07032	54.7
107.05001	9.7
107.08598	53.5
109.06527	13.9
109.10160	91.9
111.04458	6.0
111.08105	7.3
113.06023	5.7
115.05480	1.0
117.07052	6.2
117.62621	1.0
117.96648	1.0
119.04953	1.7
119.08575	15.3
121.06525	9.9
121.10150	10.2
123.04425	2.1
123.08085	6.2
123.11714	12.4
125.06016	1.5
125.09633	4.5
127.07571	4.7
128.06197	1.3
129.07022	6.1
131.08566	11.0
133.06514	5.4
133.10133	100.0
135.08078	7.6
135.11716	6.4
137.06013	3.2
137.09625	3.1
139.07553	6.0
139.11134	1.3
143.08595	6.9
145.06496	1.8
145.10144	10.6
147.08076	8.4
147.11696	6.7
149.09636	7.3
149.13269	1.5
151.11186	72.9
153.09224	1.2
157.10098	4.3
159.08081	2.5
159.11708	4.1
161.09630	10.0
161.13284	2.9
163.11195	4.5
165.09003	1.0
167.10641	1.3
169.10159	1.3
169.12239	22.2
171.11708	6.9
173.09641	1.3
173.13261	2.1
175.11157	5.4
177.09142	2.9
177.12759	1.7
179.10695	4.8
179.14355	1.9
181.08597	3.4
181.12250	1.7
185.11766	1.1
185.13327	2.7
187.11263	1.6
189.11183	1.6
189.12793	2.1
193.12276	1.3
197.11867	1.2
199.11191	2.4
203.14313	3.2
207.13866	2.5
209.11638	1.4
213.11018	1.0
215.12785	8.7
217.12289	2.2
223.13341	2.8
227.18050	2.7
233.15382	1.2
235.13170	1.5
245.18971	13.9
249.14880	1.8
251.16508	1.4
255.17345	5.1
263.20120	15.2
273.18506	37.4
291.19550	66.4
309.20578	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03930	1.1
53.61193	0.3
54.83950	0.3
55.01874	3.6
55.05514	21.4
57.03422	1.2
57.07059	0.5
59.04990	0.6
65.03921	0.5
67.05511	10.4
69.03431	3.3
69.07073	9.9
69.18124	0.3
70.77330	0.7
71.04999	0.8
73.48041	0.3
77.03951	0.3
79.05497	11.9
81.03427	1.9
81.07058	13.9
83.04983	3.4
83.08625	10.1
85.06520	1.0
91.05482	7.8
93.07048	9.5
94.04153	0.5
95.01315	1.0
95.04967	4.2
95.08608	5.8
97.02889	1.6
97.06521	1.0
97.10175	15.4
99.04397	0.4
99.08077	0.7
101.09655	0.7
105.06326	0.3
105.07036	7.0
107.04948	2.7
107.08600	8.1
109.02893	0.6
109.06525	1.3
109.10182	3.4
111.04430	1.4
111.08087	1.7
114.39693	0.3
115.05469	0.4
117.07033	3.1
119.04927	0.8
119.08585	6.8
121.06539	1.6
121.10147	3.2
123.04402	0.5
123.08079	5.0
125.09637	11.0
128.06186	0.4
129.07034	1.9
130.07790	0.6
131.04921	0.5
131.08566	4.1
133.06483	2.3
133.10136	3.6
134.07306	0.5
135.08112	2.1
135.11682	1.3
137.05966	0.7
137.09595	1.7
143.08546	1.3
143.10739	0.4
145.06532	0.4
145.10107	3.0
146.14546	0.3
147.08080	3.3
147.11717	2.4
149.09680	1.7
149.13309	0.4
151.11153	0.8
153.09113	0.8
153.12711	0.5
155.08514	0.4
157.10135	1.5
159.08069	0.4
159.11694	1.1
161.09624	1.5
162.10374	0.6
163.11171	1.8
165.09155	2.1
169.10078	0.5
169.12279	0.3
171.10219	0.6
171.11670	0.9
173.09586	0.5
175.11176	1.6
177.09169	0.3
179.10686	0.4
181.12292	0.5
185.09604	0.4
187.11122	0.4
189.11229	7.2
189.12804	0.7
191.10727	0.4
193.12297	0.8
193.23674	0.3
199.11185	0.5
205.12248	0.6
211.13307	0.4
221.11818	1.0
223.13287	6.0
227.12753	1.0
227.17914	0.4
237.16563	0.5
245.18980	1.3
249.14845	0.9
255.17479	1.3
263.20126	1.0
273.18524	9.6
277.17975	0.5
291.19553	100.0
292.19797	1.4
309.20584	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	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01873	6.9
55.05507	8.1
57.03442	36.8
57.07073	3.3
58.27218	2.0
65.03950	1.8
67.05511	34.5
69.03431	4.0
69.07072	5.1
70.03090	5.5
71.04997	5.3
79.05489	16.6
81.07065	26.5
83.04996	5.6
83.08639	4.9
85.06029	2.1
85.06550	40.3
91.05507	16.3
93.07054	21.2
95.04976	44.0
95.08623	11.7
97.06539	2.9
97.10175	2.2
99.04443	2.3
99.08140	2.1
105.07040	11.3
107.04986	5.0
107.08595	16.4
109.06522	43.9
109.10188	6.6
111.04468	8.5
111.08061	2.2
112.39189	2.3
113.06012	100.0
113.22604	1.8
117.07063	9.2
119.08578	11.1
121.06547	2.1
121.10150	6.7
123.08045	3.1
125.09660	2.3
129.07033	3.7
131.08577	10.2
133.10156	5.8
135.08052	38.0
135.11723	4.6
137.09666	2.3
143.08559	2.8
145.10155	8.5
147.08051	6.7
147.11760	2.8
149.09633	5.3
149.13289	2.6
157.10155	4.5
159.11710	3.8
161.09607	4.8
163.11159	4.3
171.11763	4.6
177.12791	2.1
181.12321	3.4
191.10815	2.9
217.15968	13.6
219.13867	3.1
255.17435	2.8
273.18515	22.3
280.84213	1.9
291.19571	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.92559	1.2
53.03943	5.6
55.01622	1.6
55.01872	15.4
55.05510	65.2
57.03429	9.3
57.07065	3.9
59.04987	4.2
62.76899	0.9
65.03927	2.3
67.05504	55.0
69.03427	11.9
69.07069	31.9
70.06581	2.2
70.76750	2.3
71.04980	6.5
71.08640	1.3
72.08163	1.1
72.36285	1.1
73.02899	1.3
76.02196	1.1
77.03909	1.2
79.04791	1.1
79.05492	49.2
81.03423	16.8
81.07056	100.0
82.07408	1.4
83.04977	17.4
83.08619	40.9
84.08135	3.0
85.02909	11.3
85.06541	6.2
86.09711	2.5
87.04459	1.0
91.05479	25.4
93.07043	55.4
95.04369	2.2
95.04964	34.2
95.08606	62.2
96.08964	1.3
97.02895	3.2
97.06526	11.0
97.10168	53.8
98.09718	1.4
99.04443	1.3
99.08096	5.6
101.09676	1.2
103.05473	1.9
103.97527	1.3
105.03423	1.1
105.07033	32.5
106.07317	1.4
106.56655	1.1
107.04951	6.0
107.08593	38.1
108.08138	1.2
108.08890	1.0
109.02869	3.0
109.06520	9.6
109.10152	22.1
110.07041	1.1
111.04436	13.1
111.08084	11.2
111.11702	1.6
113.06001	2.9
115.05481	1.1
117.07018	11.3
119.08584	28.3
121.06522	8.3
121.10150	18.0
123.04425	2.1
123.08065	96.5
123.11710	16.6
125.06041	1.6
125.09628	45.4
125.32430	1.1
127.03945	1.7
128.06218	1.6
129.05478	3.0
129.07019	6.0
130.72652	1.0
131.08578	13.2
133.06494	3.0
133.10129	13.6
135.08075	9.5
135.11691	12.9
137.09616	13.1
137.13249	2.9
139.07527	1.5
139.11194	3.9
141.12709	2.5
142.07741	1.1
143.08621	4.9
143.10640	3.1
145.06480	1.7
145.10136	13.4
147.06870	1.4
147.08052	10.4
147.11699	7.3
149.09590	8.8
149.13292	5.7
151.07469	1.0
151.11195	4.1
153.09119	5.5
153.12735	5.6
155.08536	1.9
155.10638	1.2
157.10133	8.2
159.08061	2.0
159.11681	6.3
161.08475	0.9
161.09657	6.8
161.13223	3.2
163.11174	19.7
163.14847	2.1
165.09114	13.9
165.12762	1.3
167.14345	1.3
169.10091	1.3
169.12251	8.3
171.10153	3.7
171.11676	4.2
173.09589	2.4
173.13251	1.7
175.11090	6.8
175.14732	1.4
177.09013	1.2
177.12704	1.8
177.16556	1.4
179.10683	2.2
181.12303	6.1
183.11729	1.8
185.13226	2.7
187.11563	1.4
187.13280	10.2
187.14804	1.5
189.11215	38.6
189.12718	2.0
189.16422	1.1
191.10674	6.0
193.12263	9.0
195.11757	1.5
199.14830	1.4
205.12193	1.6
207.13844	1.9
209.11627	1.7
211.13272	7.6
213.16451	1.6
217.19604	1.2
219.13870	1.5
223.13240	6.7
227.12791	3.9
227.17970	3.3
237.16434	2.2
245.18927	5.4
249.14806	2.1
249.18410	2.2
255.17453	6.8
263.20001	4.2
264.03830	1.7
273.18488	45.6
273.25732	1.5
279.05991	4.0
291.19553	89.6
309.05917	7.6
309.13144	2.7
309.16574	6.1
309.20578	30.0
309.28088	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.05887	1.6
53.03947	5.8
55.01868	8.4
55.05511	46.4
57.03439	12.3
57.07076	13.4
59.04989	6.4
65.03932	3.4
67.05503	50.9
69.03432	8.5
69.07069	89.3
70.02915	1.5
70.06583	4.3
70.07402	3.2
71.04999	8.8
71.08625	5.0
73.06556	4.8
79.05490	40.6
81.03381	1.9
81.07056	100.0
82.07380	3.0
83.04984	8.7
83.08617	35.3
84.08128	5.4
85.02911	2.4
85.06541	11.4
86.09731	2.2
91.05480	39.8
93.07040	59.0
94.07372	3.2
95.04960	16.2
95.08609	76.9
96.08942	3.6
97.06544	15.8
97.10159	19.7
98.09664	3.7
99.08115	9.4
100.44382	1.6
103.05497	2.1
105.03416	2.0
105.04531	1.6
105.07030	37.2
107.04955	9.9
107.08591	45.0
108.08152	1.8
108.08949	2.1
109.06532	12.5
109.10157	40.6
110.10524	1.8
111.08066	9.8
111.11735	18.2
113.05987	2.9
117.07021	19.2
119.08586	38.5
120.08096	2.1
121.06509	10.4
121.10132	25.6
122.10480	1.9
123.04411	2.4
123.08067	11.7
123.11716	21.4
124.08444	2.0
125.09660	11.3
125.13264	3.2
127.07599	1.7
128.06195	3.5
129.07011	9.1
130.07780	2.8
131.08569	32.0
133.06494	4.0
133.10129	14.7
135.08049	7.0
135.11699	23.8
137.09618	7.2
137.13232	9.9
139.11201	6.0
141.06953	2.4
142.07736	2.1
143.08583	23.8
144.09325	2.6
145.10127	41.3
147.08075	9.9
147.11716	12.0
149.09619	6.4
149.13246	14.6
151.11145	2.2
151.14890	2.4
153.09070	2.2
153.12755	23.4
155.08496	2.7
157.10149	12.4
159.08064	3.5
159.11670	10.5
161.09610	7.8
161.13252	3.7
163.11185	4.7
163.14809	6.5
165.09166	3.5
165.12753	3.2
167.14311	3.1
168.14684	1.8
169.10172	6.3
171.11696	7.5
173.13242	3.8
175.11182	5.1
175.14848	3.3
177.12560	2.0
177.16365	3.8
179.14304	1.9
181.10149	4.4
182.15346	2.3
183.11607	3.0
185.13240	3.3
187.11142	3.5
189.11282	5.7
189.12814	1.9
191.18025	2.2
193.12262	1.9
195.11757	4.2
195.13965	1.6
199.11145	2.0
201.12576	2.3
204.14772	2.5
205.12216	2.1
210.14919	2.8
213.12769	3.1
219.13782	2.9
227.17938	4.9
231.13838	2.6
233.15454	3.0
237.16396	6.4
245.19002	3.8
249.14806	2.0
255.17453	10.0
263.20154	4.9
268.56183	1.8
273.18497	42.0
273.26004	4.0
277.20609	2.8
291.15854	2.4
291.19528	39.9
291.26474	15.6
309.12701	1.9
309.23257	4.2
309.27832	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01861	6.0
55.05515	23.8
55.27605	1.2
56.96568	2.1
57.03437	10.9
57.07065	6.2
59.05009	1.3
65.03928	4.1
67.05504	40.8
69.03419	8.4
69.07069	25.1
70.06587	10.4
70.79560	1.3
71.04644	1.3
71.04980	7.4
71.08620	2.3
71.51755	2.0
72.08150	2.4
73.02898	1.4
77.03892	1.8
79.05071	2.7
79.05494	30.6
81.03423	78.3
81.07057	57.4
83.04990	13.9
83.08621	31.7
83.62063	1.6
84.04489	1.6
84.08140	9.7
85.02931	7.5
85.03355	1.9
85.06530	6.7
86.09694	6.1
90.47797	1.4
91.05485	33.1
93.07050	35.7
94.07341	1.7
95.04966	32.6
95.08617	34.9
95.11670	1.3
97.02913	8.5
97.06539	8.4
97.10175	9.0
98.09696	2.3
99.04440	3.4
99.08086	4.5
101.06034	1.3
105.07038	26.8
107.04959	9.8
107.08601	21.4
108.08128	12.8
109.02863	5.9
109.06519	12.9
109.10162	23.8
110.37952	1.3
111.04430	5.5
111.08089	16.1
111.11702	4.0
113.05978	3.0
115.05460	3.4
116.04996	2.5
117.07030	7.8
119.04913	2.9
119.08581	24.4
120.08138	1.8
121.06512	18.2
121.10152	15.0
122.07162	1.9
122.56358	1.4
123.04446	4.6
123.08092	12.5
123.11707	12.9
125.09643	3.8
125.13216	1.8
126.05498	1.3
127.03931	2.3
127.07552	1.9
128.06255	1.8
129.06998	12.6
129.10239	3.1
131.08559	18.5
132.79561	1.7
133.06517	7.8
133.09415	1.3
133.10146	13.5
134.95879	1.6
135.08058	9.3
135.11726	7.3
137.05968	5.5
137.09651	6.9
137.13260	5.2
139.11179	2.1
141.06958	1.5
143.08563	6.0
144.08099	5.4
145.06464	2.9
145.10123	7.0
147.04390	4.8
147.08040	10.7
147.11707	15.5
149.05940	4.1
149.09622	12.3
149.13243	4.7
151.07544	2.7
151.11201	3.1
153.12773	1.9
155.08543	2.8
157.06451	3.2
157.10141	18.0
158.09631	2.6
159.06764	2.7
159.08054	6.4
159.11696	3.5
161.05969	10.7
161.09619	5.6
161.13202	3.4
163.07521	3.3
163.11137	2.4
163.14816	3.8
165.05501	1.7
165.06992	1.5
165.09109	6.1
165.12735	4.2
170.06252	2.5
171.08049	3.4
171.11595	2.2
172.07568	13.8
173.08356	2.0
173.09718	2.7
173.13217	2.5
174.09067	2.6
175.11212	18.0
175.14903	1.9
176.10510	2.2
177.09117	2.8
177.16391	1.7
179.10680	2.1
183.11707	2.0
185.09666	1.4
185.13280	2.5
186.09111	3.3
187.14844	1.7
188.96912	1.8
189.08994	1.7
189.11198	2.6
189.12770	2.4
190.04990	5.1
190.08659	2.9
191.17859	1.6
193.12244	100.0
199.14865	1.9
201.12810	2.1
203.14273	1.9
204.10222	2.1
206.11789	1.6
209.13271	2.5
211.13252	12.1
214.08641	6.0
217.15892	2.3
218.15323	1.9
218.97978	4.1
219.11557	1.8
219.13683	1.8
227.14330	3.4
231.13910	2.0
232.09694	73.2
235.13286	2.0
235.16890	2.0
237.12749	2.4
245.15384	2.1
245.19215	1.5
246.11252	6.6
255.13885	3.9
255.17380	1.9
263.12781	2.5
263.16248	2.0
264.12311	6.0
273.15125	11.9
273.18188	11.4
273.25815	3.8
277.11945	1.9
291.12881	2.5
291.15912	30.2
291.19507	19.1
291.26633	7.0
292.15411	2.1
309.13095	5.8
309.16824	4.3
309.20602	10.1
309.27792	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	309.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.9
53.73789	1.3
55.01874	7.5
55.05518	35.3
56.05033	1.6
57.03448	10.0
57.07078	3.6
59.04995	3.3
65.03951	2.7
67.05515	63.9
69.03434	8.6
69.06692	1.5
69.07076	25.5
70.06597	8.0
70.07416	1.5
70.59835	1.3
71.04998	10.3
71.08630	2.9
72.08158	2.3
73.02932	1.6
78.10131	1.4
79.05502	35.7
80.46919	1.2
81.03428	75.9
81.07066	78.3
83.04990	17.1
83.08624	29.8
84.04517	2.6
84.08158	8.2
85.02934	8.6
85.03354	1.5
85.06563	6.4
86.09725	7.0
89.03934	1.5
91.05489	39.7
92.98965	1.4
93.06477	2.8
93.07056	41.9
95.04980	28.3
95.08617	59.7
97.02898	9.9
97.06557	8.2
97.10178	15.1
99.04469	4.9
99.08106	4.4
101.06038	2.1
103.05494	2.6
105.07050	29.8
107.04962	11.6
107.08615	34.0
108.08136	9.9
109.02140	2.0
109.02894	43.3
109.06527	13.0
109.10175	66.1
110.03702	6.8
111.04463	10.3
111.08091	16.2
111.11756	3.6
113.06011	3.2
115.05495	4.4
116.04984	2.0
116.06239	2.0
117.07033	20.1
117.09232	1.3
119.04944	3.5
119.08594	36.6
120.08099	1.6
121.06521	15.6
121.10152	18.8
122.06047	1.3
123.04451	5.6
123.08077	12.3
123.11723	10.4
124.05221	1.9
125.02372	5.1
125.05995	2.7
125.09639	12.6
125.13354	1.3
126.03146	1.6
127.03922	14.3
127.07567	2.2
128.06252	2.5
128.73286	1.4
129.05489	1.7
129.07001	10.8
129.10236	2.2
131.08578	20.2
133.06499	10.0
133.10138	13.4
135.04427	1.4
135.08072	24.1
135.11731	7.3
136.06190	1.3
136.07635	1.5
137.05988	7.2
137.09633	58.6
137.13300	3.5
139.07529	2.2
139.11180	2.2
143.08583	10.8
145.06517	2.9
145.10130	17.2
146.06030	1.4
147.04460	4.0
147.08064	20.7
147.11713	9.9
148.07550	1.3
149.06026	2.6
149.09627	12.6
149.13272	4.3
151.03905	1.9
151.07605	3.4
151.11223	3.4
153.09132	2.4
153.12776	2.5
155.08588	3.7
155.10652	3.0
157.10143	15.2
159.08055	6.7
159.11736	5.6
161.06010	4.6
161.09647	13.2
163.07550	7.2
163.11198	5.4
165.09138	42.2
165.12805	1.9
165.36320	1.2
167.07251	1.3
167.08684	2.0
167.14273	1.8
170.06288	1.4
170.11111	1.4
171.08073	6.1
171.11710	4.8
173.09685	2.1
173.13274	2.0
175.07637	2.1
175.11180	17.9
175.14844	2.1
177.05505	2.4
177.09123	2.1
177.16406	1.8
179.10620	2.6
179.14287	1.6
181.08673	1.9
183.10249	1.4
183.11674	2.5
185.09738	2.2
185.13287	3.7
187.11128	1.4
189.09338	2.4
189.11237	8.3
189.12724	3.0
190.05032	5.0
193.08583	2.1
193.12265	66.8
195.11775	2.2
199.11160	3.9
203.10760	2.2
203.17972	1.8
205.12343	1.3
209.13324	2.0
211.13164	7.1
213.12775	2.8
217.12396	2.3
217.16020	3.4
218.15430	3.0
219.11804	1.6
221.11696	2.2
223.13402	1.5
227.14374	2.9
227.18124	2.0
231.13863	5.6
235.13374	2.2
237.12778	3.8
237.16510	2.1
245.11790	2.3
245.15421	3.8
245.19212	1.5
255.13896	3.7
255.17612	3.5
260.35876	1.1
263.12790	1.5
263.16333	3.9
263.20337	2.1
264.15912	2.5
265.18036	2.6
273.11798	1.6
273.14929	5.8
273.18561	20.9
273.25818	1.6
274.14569	1.2
277.11337	1.2
281.12769	1.4
291.12485	5.7
291.16037	24.5
291.19617	79.0
291.26706	3.5
306.37793	1.3
309.13382	100.0
309.16617	3.7
309.20602	67.1
309.28015	4.1
310.21167	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	309.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01878	4.5
55.05515	41.4
56.96560	7.3
57.03434	10.3
57.07086	12.6
59.05003	5.5
65.03935	3.8
67.05508	37.2
67.05849	4.1
69.03417	7.2
69.07072	93.7
69.27938	14.3
69.96424	1.9
70.06607	5.8
71.04999	10.7
71.08627	6.9
73.06541	5.4
79.05495	26.3
80.05042	2.8
81.03445	3.7
81.07062	100.0
83.04971	9.6
83.08625	31.7
84.08150	6.0
85.02927	4.5
85.06559	12.9
89.03913	5.5
91.05479	18.2
93.05807	3.4
93.07053	43.1
95.04964	10.1
95.08613	83.7
97.02857	2.7
97.06528	14.4
97.10175	38.7
98.98450	8.6
99.08103	4.7
105.07049	19.0
107.04990	3.9
107.08601	47.5
108.08127	94.6
109.06544	14.1
109.10162	44.4
111.04407	3.0
111.08096	18.5
111.11717	16.9
113.06013	4.8
113.09663	3.4
116.05000	20.4
117.07011	5.4
117.09234	2.3
119.08578	14.5
120.08108	3.2
121.06522	6.7
121.10165	17.8
122.09618	2.4
123.04418	5.0
123.08057	7.1
123.11724	34.2
124.89207	2.6
125.09626	13.9
125.13289	3.0
129.07016	3.3
129.10211	3.5
131.08574	7.4
133.10153	11.8
135.08073	4.3
135.11710	23.9
136.07556	5.7
137.05972	3.7
137.09610	5.2
137.13300	11.8
139.11208	4.7
143.10681	14.2
144.04488	11.8
145.10104	6.3
146.05994	7.3
147.08008	2.7
147.11711	12.0
149.09668	3.6
149.13272	24.0
151.11157	3.3
153.12753	24.6
157.10078	3.3
159.11696	4.0
161.09608	3.8
161.13211	3.6
163.11203	3.4
163.14807	7.8
165.12756	4.4
167.14355	8.3
171.10191	2.3
172.03967	2.7
174.05548	4.9
175.14844	4.1
177.16432	3.2
185.13318	2.5
189.11229	3.1
189.16386	3.6
190.04997	37.0
195.17470	3.7
217.15936	2.9
217.19522	2.3
218.97984	2.9
263.16382	4.7
273.18658	5.8
273.25610	5.3
281.10223	2.4
281.12799	12.3
284.12939	2.8
291.12695	3.6
291.15933	6.9
291.19574	11.7
291.23782	2.3
291.26761	14.6
292.15366	2.6
309.15048	38.8
309.20715	3.9
309.24484	4.2
309.27832	40.1
327.14871	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	309.1336
Annotation	Monocerin
Peak:m/z	Relative Intensity
51.02373	1.0
52.67884	0.6
53.03948	3.9
55.01877	3.3
55.05279	1.0
55.05514	13.4
56.05006	0.9
57.03443	5.3
57.07088	4.2
59.05004	25.5
59.30816	0.6
65.03929	1.4
67.01833	0.7
67.05510	37.7
69.03427	5.2
69.07073	18.8
69.23305	0.7
70.06565	2.6
71.05006	5.1
71.08627	1.5
71.51936	0.8
72.08141	1.5
73.06512	0.7
79.05497	12.8
81.02936	1.1
81.03422	31.6
81.07061	55.4
82.04189	1.7
83.04990	6.3
83.08620	8.7
84.04488	1.0
84.08153	4.1
85.02914	4.3
85.06536	4.2
85.42211	0.6
86.09720	3.1
91.05485	8.7
93.06489	0.9
93.07045	13.6
94.06510	0.7
95.04964	5.4
95.08614	22.4
96.04486	1.1
97.02919	3.1
97.06520	3.9
97.10184	3.0
98.09679	1.4
99.04422	2.5
99.08108	4.3
100.11261	0.7
103.05450	0.8
105.07025	7.2
106.06492	0.9
107.04945	2.4
107.07885	1.1
107.08597	19.2
108.08122	1.5
109.02886	42.3
109.06522	5.6
109.10161	63.3
109.28375	0.8
110.03671	8.6
110.06047	0.9
111.04453	8.2
111.08098	7.7
111.11697	1.8
113.05976	1.1
115.05415	0.7
117.06984	2.7
117.09161	4.9
119.04916	1.1
119.06031	0.7
119.08592	7.0
120.08065	0.8
121.06539	3.7
121.10165	6.6
122.05975	1.1
123.04392	1.6
123.08059	2.7
123.11716	8.1
124.05206	1.7
125.02361	7.7
125.06005	2.0
125.09614	2.4
125.13293	0.8
126.03096	1.9
127.03908	13.1
127.07540	1.3
129.07016	1.0
131.08557	2.3
133.06528	0.8
133.10182	3.3
135.04381	0.8
135.08057	18.5
135.11678	4.5
136.07581	4.8
137.06023	3.9
137.09624	59.9
137.13239	3.5
139.07486	0.9
139.11154	1.3
143.08505	1.4
145.06516	1.0
145.10132	1.4
146.06003	1.1
147.04422	1.1
147.08003	1.9
147.11658	2.2
148.07443	0.9
149.09587	1.2
149.13249	3.3
151.11160	1.5
153.09070	1.0
153.12758	1.4
155.10646	2.3
159.07971	0.9
159.11665	1.8
161.09583	1.4
161.13229	1.6
163.07545	5.4
163.11250	0.7
163.14799	2.3
164.07065	5.9
165.09123	42.7
165.12744	1.6
171.11699	1.0
173.09636	0.8
174.09021	0.8
175.13364	1.5
175.14827	1.2
176.07080	3.8
176.10683	2.0
177.09044	0.9
177.16472	1.2
180.13829	0.6
181.08513	1.5
181.10016	0.7
183.10258	1.6
185.13268	0.8
188.07179	1.0
189.09146	1.1
189.16327	0.8
194.11739	0.7
198.45908	0.7
199.11192	1.2
201.11034	0.7
202.12311	0.8
204.13797	1.1
212.12825	0.9
217.12274	1.4
217.14154	2.5
217.19566	0.7
218.15399	3.4
226.03769	0.9
227.10707	1.0
228.13882	1.8
230.15314	0.8
235.63536	0.8
245.11757	1.6
246.14964	10.4
248.16322	1.3
263.12650	2.2
273.11041	1.1
273.18509	1.5
273.25833	2.1
274.14487	1.7
279.26630	0.8
291.12207	3.3
291.16931	1.3
291.19781	1.6
291.23767	0.9
291.26816	5.0
292.15131	0.7
309.13278	100.0
309.27704	6.1
310.13571	1.3
333.02905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.7
53.03951	4.9
55.01852	2.9
55.05513	15.7
55.71166	0.7
55.82379	0.7
56.05024	0.8
57.03436	4.6
57.07079	5.2
59.05006	26.0
65.03931	2.4
66.16492	0.7
67.01862	1.6
67.05509	39.9
69.03437	6.4
69.07073	21.6
70.06596	3.9
71.04996	4.7
71.08628	1.7
71.51800	0.7
72.08125	1.4
73.06554	1.3
79.05501	13.8
81.02937	1.3
81.03424	34.5
81.07061	56.1
82.04190	1.3
83.04983	7.9
83.08634	8.7
84.04496	1.3
84.08142	4.7
84.28352	0.7
85.02907	3.7
85.06573	3.7
86.09679	2.5
91.05489	8.8
91.40018	0.7
93.07053	14.4
95.04976	6.6
95.08617	26.7
97.02879	3.4
97.06541	4.7
97.10165	3.0
98.09680	1.9
99.04430	3.0
99.08103	6.5
101.05962	0.8
103.05453	1.0
105.07035	8.7
107.04944	2.9
107.07887	1.1
107.08598	18.1
109.02890	46.7
109.06521	6.9
109.10165	66.7
110.03700	6.3
110.05978	0.9
111.04459	10.7
111.08086	5.9
111.11698	1.4
113.06017	1.9
115.07590	1.1
117.07013	2.5
117.09142	5.7
119.04905	1.1
119.08592	6.7
120.08075	1.4
121.06506	3.5
121.10155	6.8
122.06029	0.8
123.04405	1.2
123.06267	1.0
123.08083	3.6
123.11714	8.5
124.05155	1.6
125.02368	7.7
125.05984	1.3
125.09589	2.2
125.13266	0.9
126.03106	2.7
127.03928	14.7
127.07513	1.1
129.06993	1.0
129.10228	1.3
131.08563	2.2
133.10115	3.9
134.06039	0.9
135.08067	19.0
135.11673	5.2
136.07567	3.3
137.06018	5.1
137.09625	59.4
137.13220	3.4
139.11160	1.8
143.08549	1.7
143.23418	0.8
145.10075	1.5
146.06081	0.9
147.04414	2.6
147.06461	0.8
147.08022	2.6
147.11646	2.5
148.14249	0.8
149.09607	1.7
149.13226	3.3
151.14824	1.1
153.09106	0.9
153.12784	1.7
155.10706	4.5
157.10107	0.9
159.08054	1.4
159.11664	1.6
160.07576	1.2
161.09601	1.8
161.13187	2.0
163.07518	5.9
163.11191	0.9
163.14822	1.8
164.07053	3.8
165.05444	1.3
165.09126	45.4
165.12694	2.3
171.11607	0.9
175.04041	0.9
175.13341	1.8
176.07030	3.1
176.10654	2.3
177.09047	1.1
177.12549	0.9
181.08589	1.6
183.10184	1.2
204.13783	1.0
217.12196	1.6
217.14140	3.0
217.19409	1.1
218.15329	2.5
228.13680	1.9
230.15346	1.0
245.11601	2.4
246.14941	7.0
247.09384	0.8
263.12689	1.9
272.11859	1.0
273.11163	0.8
273.18491	2.2
273.25702	2.4
274.14420	1.1
291.12140	4.3
291.19543	2.2
291.26797	5.8
309.13239	100.0
309.20859	4.0
309.27792	7.1
310.13434	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87772	0.6
53.03942	2.5
54.07531	0.7
55.01862	3.7
55.05511	13.4
55.93011	0.6
56.05019	0.8
57.03153	1.0
57.03436	14.1
57.07078	4.2
59.04993	2.6
59.86380	0.6
61.02921	2.0
65.03944	0.9
67.05506	15.5
69.03435	7.4
69.07069	27.4
69.25723	5.9
69.26128	1.5
70.06597	2.8
71.01363	1.8
71.04995	24.8
71.08620	2.7
72.08151	0.9
73.02917	4.2
73.06547	1.2
75.04483	11.3
79.05493	9.2
81.03423	7.0
81.07058	36.6
82.07388	0.8
83.04987	8.5
83.08620	7.9
84.04510	1.4
84.08154	4.6
85.02908	100.0
85.06557	5.5
85.10149	0.8
86.09715	3.1
87.04479	2.2
91.05483	7.5
93.07050	15.8
93.07623	0.8
94.06560	1.0
95.04968	4.9
95.08611	28.3
97.02897	7.7
97.06536	6.4
97.10180	3.2
98.09732	1.0
98.20708	1.2
99.04430	2.1
99.08096	7.3
101.06030	2.2
103.03933	1.8
103.05478	0.8
105.04535	0.8
105.07034	8.0
106.06609	0.8
107.04963	3.4
107.08603	11.7
107.16518	0.8
108.08064	0.7
109.02875	5.5
109.06522	4.3
109.10164	14.7
110.03677	1.1
110.07099	0.8
111.04468	5.0
111.08083	7.9
111.11736	6.7
113.06010	1.1
117.07027	2.5
119.04952	0.8
119.08605	6.2
120.08082	0.7
121.06528	2.6
121.10159	7.9
123.04491	0.8
123.08092	3.2
123.11698	11.7
125.02327	1.1
125.09649	3.0
125.13268	1.7
127.03913	6.8
127.07596	1.8
127.11201	0.8
129.04512	1.6
129.05484	25.7
129.10269	1.4
131.08595	2.6
133.06500	1.5
133.10136	4.8
134.95842	2.0
135.08067	3.3
135.11694	8.3
136.07611	0.9
137.06024	1.1
137.09605	6.1
137.13310	3.9
139.11209	1.9
142.07840	1.0
143.08575	2.6
145.04980	2.0
145.10139	2.8
147.04459	2.3
147.06544	13.6
147.08028	2.0
147.11700	3.1
148.06316	1.6
148.97449	1.3
149.05888	0.9
149.09621	1.9
149.13295	7.4
149.94670	1.4
151.11235	1.2
153.12772	5.9
155.63800	0.7
157.10164	2.1
158.95985	0.9
159.11781	1.5
161.09662	1.8
161.13219	1.1
163.11229	1.2
163.14819	1.4
165.07706	1.3
165.09030	4.0
165.12811	1.0
166.07414	0.9
167.10674	0.8
167.14359	3.2
171.06596	0.9
172.86259	0.7
174.95543	0.8
175.11195	1.3
176.10733	2.0
176.96968	1.6
177.05475	1.5
177.16414	0.9
185.13251	1.3
189.16408	1.1
190.85135	0.7
199.14729	0.8
200.96783	1.5
217.15959	1.2
218.98000	4.8
225.07571	1.2
227.57544	0.7
228.56522	2.0
231.13918	1.0
241.14284	1.2
242.56232	2.1
245.18976	0.8
248.99084	1.2
249.57251	0.9
251.56958	1.0
255.08563	1.1
255.17551	1.0
263.20300	0.9
273.18500	3.7
278.73080	0.7
291.12491	1.5
291.19547	8.6
291.26791	4.1
309.12885	6.3
309.18057	1.6
309.21667	7.2
309.27841	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	309.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01876	1.3
55.05517	5.4
57.03447	12.3
59.04998	0.9
61.02916	1.6
67.05509	3.5
68.37583	0.7
69.03433	3.4
69.07082	3.1
70.06602	2.0
70.95648	1.8
71.01353	1.3
71.05004	24.8
73.02934	6.3
75.04491	14.0
79.05508	3.8
81.03426	2.9
81.07054	5.8
83.04990	7.0
84.04544	0.9
84.08153	3.3
85.02917	100.0
85.06543	0.8
86.09721	1.4
87.04482	2.5
91.05500	3.1
93.07056	3.8
95.05006	1.0
95.08614	3.5
96.04452	0.8
97.02902	4.4
97.06564	1.6
97.10191	0.9
98.09743	1.3
99.04456	2.1
101.06042	1.5
103.03960	2.7
105.07035	3.7
106.06587	1.9
107.08619	2.1
109.02897	2.6
109.06525	0.8
109.10175	2.3
111.04465	3.1
111.08095	1.1
119.08592	1.4
121.06545	2.1
121.10174	1.2
123.06178	0.9
123.08096	1.5
123.11722	0.8
125.06058	0.8
125.09711	0.8
127.03938	6.1
129.05496	25.0
129.06990	1.2
131.08606	2.3
133.06480	0.9
133.10164	1.0
134.04482	1.3
134.06018	4.1
135.08014	0.7
135.11743	1.0
135.77361	0.7
137.06006	1.5
137.09634	1.8
138.09216	1.3
141.07048	0.8
143.08582	0.9
145.05019	1.5
145.10188	1.2
147.04489	1.3
147.06549	16.5
147.07985	1.3
148.11246	1.8
151.01138	0.7
161.09604	0.8
165.07690	1.1
165.09181	1.0
171.06575	0.8
175.07533	0.9
176.10738	12.5
187.07602	1.9
187.15866	0.8
219.08307	1.1
222.44936	0.8
231.10225	1.2
236.02072	0.9
241.14340	1.1
248.16609	1.9
255.08810	1.2
260.85236	0.8
273.18591	1.2
274.14505	1.2
309.13126	2.5
309.18387	3.8
309.21979	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	308.2222
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
53.03934	0.2
55.05497	0.4
57.07074	0.6
58.02943	0.3
65.03934	0.2
67.05500	0.5
69.03423	0.3
69.07084	1.0
71.04974	0.2
71.08616	0.6
71.52282	0.2
77.03917	0.2
79.05496	1.0
81.07066	1.8
83.08631	0.2
84.08168	0.3
85.10209	0.2
91.05476	1.0
93.07045	0.5
94.04203	1.5
95.04976	0.3
95.08603	0.9
97.06541	0.3
98.09686	0.3
99.08078	0.3
105.07059	0.5
107.04953	0.4
107.08555	0.2
107.09232	0.2
109.06516	0.6
109.10186	0.2
110.23920	0.2
114.09202	0.3
119.08568	0.3
121.06450	0.3
121.10150	0.2
122.02764	0.3
122.03652	5.4
136.07513	0.2
137.05984	100.0
137.13248	0.5
138.06329	0.5
153.12811	0.3
155.14323	0.3
162.02156	0.2
165.12735	0.4
172.16974	1.2
184.16972	2.8
189.42192	0.2
190.08643	0.2
255.42123	0.2
275.62839	0.2
290.17520	1.4
291.23120	1.0
308.18570	0.5
308.22522	0.6
308.25937	0.9
309.11346	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
55.05510	5.3
57.03424	2.9
57.07065	3.1
58.99578	3.9
65.03922	1.1
67.05507	30.8
67.76961	0.7
68.21937	0.8
69.03417	1.9
69.07062	6.2
69.23802	4.0
69.24232	3.2
70.06602	4.2
71.04995	73.3
72.08159	4.2
75.31936	0.9
76.02237	7.4
79.05492	9.0
81.07059	26.3
83.04993	4.8
83.08615	2.2
84.04498	2.8
84.08147	9.6
85.02905	1.8
85.06547	75.7
86.09709	10.9
86.99045	4.5
88.04001	1.8
91.05485	29.2
93.07050	9.6
95.04966	2.0
95.08606	3.3
97.06528	3.5
99.04446	2.1
105.00106	5.3
105.07034	25.8
107.08601	21.2
108.04523	1.1
109.06532	4.7
109.10163	35.5
110.07185	1.1
112.08705	1.1
113.05996	1.2
120.08083	2.6
121.10142	1.3
122.02735	6.9
123.08077	3.5
123.11707	6.5
125.09652	2.9
127.07573	1.8
129.10240	5.7
130.04991	1.4
131.08531	1.2
133.10135	57.1
133.64012	0.8
136.07587	1.0
139.11203	4.8
147.04396	1.2
151.11189	47.5
157.12202	2.5
169.12244	100.0
170.12651	1.1
187.13274	12.8
201.09413	2.9
218.59117	1.5
219.10625	1.2
227.10641	4.6
227.60684	1.0
245.11981	4.4
249.01894	0.8
264.12244	1.4
273.11588	2.1
290.14017	2.6
291.12610	41.3
308.15219	36.6
308.18417	1.5
333.89703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01873	3.2
55.05516	7.2
56.05035	1.4
56.05851	1.6
56.96555	1.4
57.03441	4.4
57.07072	2.2
59.04987	1.1
65.03964	1.0
67.01869	1.8
67.05505	7.6
68.05841	0.9
69.03432	7.2
69.07070	15.0
70.06586	2.7
70.07405	2.2
71.04992	2.2
71.52036	0.9
72.08158	2.3
73.93388	0.9
76.02221	4.8
77.03945	1.4
79.05500	14.9
80.05015	3.8
81.03439	2.5
81.07059	24.5
82.07396	3.6
82.50149	0.8
83.04987	2.7
83.08622	4.2
84.04498	4.0
84.05289	0.8
84.08152	4.2
85.02921	5.5
85.03365	0.9
85.06541	1.9
86.09712	1.9
91.05482	10.0
93.07056	10.6
94.02943	1.1
94.06553	3.0
94.07389	2.6
95.05000	4.0
95.08614	10.4
96.04537	1.7
96.08142	2.3
96.08942	4.0
97.02887	6.4
97.06541	3.3
97.10178	2.0
98.05998	0.9
98.09694	3.1
98.97565	1.2
99.08100	3.2
103.05469	2.4
104.05026	1.3
105.07027	9.7
106.06547	4.3
107.04953	4.6
107.08614	6.4
108.04502	1.6
108.08128	2.3
108.08940	2.3
109.02867	1.8
109.06519	4.7
109.10165	4.5
110.06068	1.1
110.10501	3.0
111.04500	0.8
111.08123	1.5
111.11734	1.4
112.03973	2.2
112.12078	1.1
115.05461	1.2
117.05830	1.9
117.07040	2.9
118.06544	3.1
119.04922	7.2
119.08602	4.8
120.04442	1.0
120.08144	1.8
120.08901	1.0
121.06526	7.2
121.10150	5.3
122.06024	2.6
122.10499	1.9
123.04429	3.2
123.08071	2.0
123.11742	2.5
124.12090	2.5
127.03934	1.8
128.04288	1.0
128.06242	1.9
129.07031	4.9
129.10245	1.5
130.05016	1.7
130.06560	3.0
131.04893	1.0
131.07332	6.5
131.08504	5.0
131.88120	1.0
132.04489	1.3
132.05731	0.8
132.08095	8.8
132.08994	1.4
133.06506	1.8
133.10132	2.4
134.06000	6.1
134.09631	1.1
135.04433	2.7
135.08098	1.5
135.11679	2.2
136.07564	4.6
137.06023	4.4
137.09552	0.9
137.13232	1.1
143.08568	2.0
144.08092	5.0
145.02867	1.3
145.06534	1.4
145.08920	1.5
145.10098	1.8
146.06026	2.6
146.09612	10.2
147.04401	2.0
147.06839	1.9
147.08054	2.6
147.10507	1.8
147.11653	1.6
148.07611	3.2
148.11148	4.7
149.06013	3.3
149.09624	2.2
149.13243	1.2
150.05522	1.5
150.09152	1.1
150.13568	1.8
156.08113	1.9
158.06049	1.0
158.09657	2.1
159.08017	1.9
159.11678	1.3
160.07582	3.4
160.11215	9.4
161.09613	1.3
162.02245	1.3
162.09103	0.9
163.03951	1.2
163.11169	0.9
164.10725	2.9
165.05441	4.9
165.09148	1.5
167.14465	0.8
168.08151	2.0
168.14613	1.2
169.10155	1.1
170.05798	0.9
172.07581	2.6
172.11177	1.2
174.09154	17.3
175.07610	1.8
175.09967	2.8
176.07033	1.7
176.10703	4.1
177.05487	1.9
178.12128	1.3
179.04854	2.0
184.07646	2.0
186.09161	3.2
188.10808	1.9
188.14313	1.1
190.12378	2.4
192.06557	1.4
192.10199	4.3
193.08682	1.0
194.11757	3.6
198.12807	1.8
199.11256	1.3
200.07062	1.1
200.10722	1.8
201.11470	2.2
202.08640	1.3
202.12396	1.0
204.10167	1.0
210.11246	5.2
212.07100	1.0
214.12311	2.8
216.13815	1.1
218.08188	1.0
218.11748	0.9
226.12253	4.2
228.13734	0.9
242.11658	1.5
244.13382	2.1
246.14928	3.3
248.09190	5.9
254.11687	5.1
260.12891	3.2
262.18112	1.4
264.16031	2.1
272.12833	10.7
272.16272	2.0
272.24634	1.5
287.05423	1.3
290.13898	100.0
290.17450	8.4
290.25546	7.9
291.14243	1.3
308.11697	1.3
308.14951	16.3
308.18747	8.9
308.26620	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
55.01866	2.6
55.05513	44.9
56.96536	1.4
57.03438	7.1
57.06834	1.8
57.07085	18.4
59.04992	3.9
65.03934	1.5
67.05512	27.1
68.51868	1.4
69.03438	9.0
69.07072	91.9
70.55916	2.6
70.56250	2.4
71.05009	7.0
71.08627	5.5
74.26365	1.4
75.74635	1.4
79.05495	18.6
81.03419	3.0
81.07063	84.5
83.04961	3.1
83.08623	49.6
85.02893	6.8
85.06549	9.7
91.05484	15.9
93.07051	53.3
95.04951	5.1
95.08615	90.4
97.02901	2.2
97.06548	11.1
97.10166	12.9
98.97598	2.8
99.04444	4.7
99.08090	4.0
103.03941	7.0
105.07033	16.7
107.08601	63.6
109.02882	1.9
109.06528	5.8
109.10163	49.1
111.08098	16.4
111.11732	11.1
113.09647	2.7
117.06997	2.5
119.08591	16.0
121.06512	2.8
121.10152	49.4
123.08060	4.1
123.11714	60.1
125.09677	4.7
125.13245	2.0
127.03931	5.8
131.08585	4.1
133.10144	11.1
135.11690	14.9
137.09630	6.8
137.13266	8.8
139.11212	10.2
143.08586	2.1
145.04977	2.4
145.10129	6.1
147.11717	9.0
149.09689	2.4
149.13272	46.5
150.05476	1.9
151.11194	14.9
151.14828	5.2
153.12778	3.4
159.08020	2.2
159.11728	6.3
161.13278	8.4
163.11148	4.1
163.14903	8.1
165.12790	8.0
167.14325	37.1
173.13287	5.1
175.14839	6.5
177.12717	2.3
177.16438	4.4
179.14375	4.8
181.12285	1.9
187.05901	1.6
189.16391	5.6
191.17929	3.1
191.44228	1.4
193.15916	4.1
195.14003	1.5
201.16405	5.9
203.18042	2.3
206.11909	2.3
207.17375	2.4
215.17862	3.7
217.19391	1.5
231.21065	3.6
233.19009	2.8
249.22113	6.0
261.25882	2.1
271.24271	10.3
289.25278	100.0
299.23495	1.5
307.26337	53.3
308.15152	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	308.1489
Annotation	Convoline
Peak:m/z	Relative Intensity
53.03940	1.0
55.01875	3.7
55.05513	2.7
56.05045	2.3
57.03421	1.9
58.99577	0.4
67.05504	4.0
68.05019	0.4
69.03416	1.4
69.07073	5.9
70.02966	1.0
70.06593	2.6
71.04970	0.9
72.04503	0.9
72.08150	2.4
76.02209	1.5
79.05496	5.9
79.15733	0.4
80.05010	1.4
81.03417	3.1
81.07063	5.1
82.06579	1.7
83.04971	1.4
83.08611	0.5
84.04507	2.3
84.08147	3.7
85.02893	2.4
86.09712	2.9
88.03989	1.1
91.05488	6.4
92.05008	0.8
93.07068	3.7
94.06557	1.4
94.07321	0.5
95.04980	3.5
95.08613	5.4
96.04498	4.0
96.08143	0.5
97.02871	0.6
97.06545	2.8
97.10146	0.7
98.06034	0.9
98.09672	1.7
99.04453	0.5
99.08073	0.6
99.10016	0.7
100.04015	0.5
103.05452	1.0
105.06400	0.6
105.07041	7.0
106.06580	0.8
106.07351	1.1
107.04942	1.7
107.08642	2.9
108.03814	0.7
108.04484	8.2
108.08147	2.6
108.08768	0.6
109.02863	1.5
109.05254	0.5
109.06512	1.1
109.10127	1.2
110.02467	0.5
110.06062	2.3
114.05505	0.9
115.05433	1.0
117.07008	1.7
118.06535	1.0
119.04920	1.6
119.08625	2.0
120.04477	4.1
120.08141	3.2
121.02873	0.7
121.06480	1.3
121.10178	0.9
122.06043	7.8
122.09696	0.5
123.04449	3.0
123.08078	24.5
123.11723	0.6
124.07576	1.1
125.09598	1.2
126.05504	1.5
127.03876	0.7
128.03407	0.7
128.06157	0.6
129.06999	2.5
129.10254	1.0
130.04973	1.0
130.06493	0.9
131.04848	0.5
131.06889	0.5
131.08549	2.8
132.04410	1.0
132.08885	0.5
133.06467	1.4
133.10130	5.4
134.06047	3.1
135.04424	4.7
135.06807	0.4
135.07991	0.8
135.11703	0.8
136.03917	0.7
136.07584	3.4
136.12099	0.7
137.05933	1.2
137.07895	0.5
138.05496	3.5
138.09152	3.3
140.03372	0.4
140.07063	0.8
140.14325	0.6
143.08556	1.5
144.08963	0.8
145.06514	0.8
145.10074	1.4
146.06033	3.0
147.04366	1.5
147.08012	1.4
147.10072	0.6
147.11632	0.6
148.03944	8.8
148.07568	4.7
149.04916	0.8
149.05989	1.2
149.09602	1.8
150.05421	1.9
150.09123	0.8
151.03961	0.5
151.11177	1.4
152.05688	0.4
152.07040	0.6
154.05022	0.5
155.08540	0.5
157.06490	0.9
157.10104	1.1
159.08020	1.3
159.11725	1.3
160.07588	1.0
161.09587	1.1
162.02164	0.7
162.05484	2.9
162.10100	0.9
163.07629	0.6
163.11189	1.4
164.07097	5.2
165.07426	1.2
166.05008	1.6
166.08713	0.7
168.06546	0.5
171.08031	0.5
171.11699	0.8
172.07527	0.8
172.11140	0.6
173.09589	1.1
173.13286	0.5
174.05568	0.6
174.09125	1.4
175.07677	0.5
175.09616	0.6
175.11162	0.7
176.07079	3.1
176.10669	0.6
177.09129	3.8
178.15898	1.2
179.04811	1.2
179.12671	0.7
180.06619	2.1
182.08127	1.1
183.11691	0.7
185.13208	0.7
186.07600	0.9
188.10626	0.9
189.09167	0.8
189.11020	0.5
189.12701	0.6
190.04851	0.5
190.12294	2.6
191.10686	3.2
192.06569	15.7
192.10152	0.7
194.08136	1.6
198.07614	1.7
199.11246	2.3
200.10767	2.7
201.09164	0.8
201.12715	0.7
206.08110	0.7
208.13237	0.8
210.07619	15.3
212.09200	3.0
214.12321	1.0
215.10802	0.6
216.10114	0.4
216.13832	1.8
217.12288	0.5
217.14157	1.1
218.11772	5.3
218.15541	0.6
219.10262	2.4
220.06056	5.3
222.07703	0.9
227.10564	0.5
234.11201	0.6
234.14868	0.9
236.12839	2.5
238.07109	19.3
238.10762	1.1
240.08592	1.8
243.10059	0.5
244.13379	0.6
246.11223	1.2
246.14880	1.0
252.08731	0.5
252.12102	0.9
260.12781	1.6
262.14365	1.7
264.12323	7.7
272.12839	0.9
273.10971	0.8
280.15405	4.5
290.10678	0.8
290.13867	5.8
290.17419	1.4
290.25571	0.5
291.14169	1.6
308.14886	100.0
308.17938	4.1
309.15323	1.6
314.19180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03951	3.6
55.01870	3.5
55.05513	39.1
57.03435	4.5
57.06839	1.7
57.07080	21.4
59.04988	4.2
62.25535	1.9
67.05510	29.7
69.03419	7.6
69.07072	100.0
70.12045	4.4
70.12432	3.4
71.04990	7.0
71.08617	5.8
73.06539	2.8
74.01901	1.7
79.05502	17.0
81.03416	3.6
81.07062	91.8
83.04975	2.8
83.08165	3.0
83.08626	51.7
85.02894	4.0
85.06537	6.8
91.05502	11.9
93.06493	3.3
93.07051	54.3
95.04946	7.1
95.08610	89.4
97.06533	14.3
97.10165	13.7
97.52773	1.7
99.04432	2.9
99.08098	2.7
105.07054	15.2
107.07880	3.2
107.08600	55.4
108.82470	1.8
109.02890	2.1
109.06497	4.9
109.10159	54.6
111.08081	10.4
111.11753	12.9
117.07024	2.2
119.08565	11.9
121.06511	4.9
121.10146	54.1
123.08086	1.9
123.10842	4.2
123.11708	62.6
125.09624	4.8
127.03928	4.9
127.07549	2.4
131.08548	3.8
133.10123	12.2
135.11687	16.7
137.09563	5.1
137.13263	11.7
139.11206	9.1
145.10098	5.1
147.07976	2.2
147.11676	7.8
149.09608	4.0
149.13261	37.8
151.07480	2.4
151.11200	11.1
151.14822	7.1
153.12753	2.1
155.10651	2.1
159.11685	7.2
161.13260	6.7
163.11186	6.9
163.14795	4.5
165.12773	9.9
167.14320	42.9
173.13210	4.5
175.14839	3.8
177.12738	2.0
177.16402	3.4
179.14220	3.1
183.13860	2.5
187.14809	3.1
189.16293	2.5
201.16319	4.0
215.17976	2.1
249.22121	3.1
252.77660	1.7
271.21600	1.8
271.24207	11.2
289.25266	96.3
307.20587	2.6
307.26309	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2636
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03939	3.1
55.01865	4.0
55.05516	21.2
57.03421	2.6
57.07081	12.5
59.05005	1.6
61.02901	1.2
65.03940	2.2
67.05508	27.4
69.03428	11.3
69.07072	82.8
70.06586	3.5
70.96199	2.0
71.04993	8.3
71.08621	5.0
72.08134	1.3
73.02911	3.2
77.03923	1.2
79.05498	17.9
81.03429	7.7
81.07059	100.0
82.07389	0.9
83.05000	7.3
83.08627	21.3
84.04478	0.9
84.08125	4.0
85.02446	1.2
85.02914	13.3
85.06554	6.6
85.10182	1.5
86.09715	1.9
91.05489	14.5
93.07048	42.4
95.04972	26.7
95.08613	64.3
96.08915	1.0
97.02921	5.7
97.06538	11.2
97.10180	8.2
98.09685	1.9
99.04452	10.3
99.08102	2.2
99.09978	0.9
101.06026	2.0
103.03954	13.1
105.07038	35.2
107.04939	2.1
107.07875	1.8
107.08597	34.6
109.02885	7.0
109.06510	10.8
109.10163	36.5
110.07161	1.0
111.08083	14.7
111.11721	16.2
113.05984	2.0
115.05494	1.0
117.07032	3.5
118.55846	0.8
119.08598	18.3
120.08105	1.3
121.06507	3.5
121.10150	34.8
122.06060	1.1
123.08083	3.4
123.10830	2.0
123.11716	32.4
125.05977	2.5
125.09649	3.9
125.13242	2.5
127.03927	18.8
127.07568	3.1
129.07010	1.3
130.06505	2.0
131.08583	4.7
133.10121	11.2
135.08060	2.1
135.11697	17.5
136.07588	1.1
137.09645	3.4
137.13261	12.7
139.11189	19.6
143.08549	1.1
145.04982	6.3
145.10156	6.5
147.11708	17.6
149.05991	1.1
149.09608	3.0
149.13275	11.5
150.05516	3.0
150.09116	1.2
151.11177	14.7
151.14850	3.2
153.09171	1.1
153.12762	9.7
157.07629	1.6
158.05998	2.4
159.11699	6.7
161.09676	1.4
161.13286	5.8
163.06046	1.0
163.11194	3.6
163.14883	6.6
165.12767	19.5
167.10678	2.5
167.14337	2.9
169.12286	2.1
169.15935	1.5
173.13307	3.1
174.86688	0.8
175.08801	1.2
175.14857	5.2
176.44586	0.9
177.12811	2.4
177.16432	3.3
181.12225	1.9
183.13849	2.4
187.06030	3.2
187.14821	2.9
189.16377	3.0
191.17949	1.2
193.15994	1.4
198.96967	0.9
201.16370	1.7
202.11946	1.2
203.17937	1.6
205.07030	1.8
205.16017	1.0
207.17429	1.1
209.42259	1.0
215.17982	3.8
218.11859	1.8
231.21094	0.9
232.66995	0.9
233.19049	2.0
244.13350	6.7
245.22627	3.0
246.14928	4.0
247.24121	1.2
261.08765	1.1
262.14401	4.9
271.24179	8.2
277.25241	3.1
287.05270	1.6
289.15164	1.6
289.18164	4.9
289.25269	27.6
290.10446	1.3
290.13785	1.7
307.16498	13.3
307.19421	2.6
307.26324	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	307.2633
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
53.03938	4.4
55.01861	6.3
55.05272	2.5
55.05517	38.9
55.54124	1.9
57.03426	7.2
57.07077	14.9
59.05005	9.7
65.03956	1.8
67.05511	57.4
69.03420	7.5
69.07074	61.4
70.03516	3.5
70.03909	4.6
70.06599	2.3
70.07087	1.7
71.04977	8.2
71.08625	3.9
73.03019	2.0
73.06538	6.8
73.06924	2.0
73.24561	1.9
79.05075	2.8
79.05495	37.2
81.03405	4.9
81.07061	100.0
83.04978	17.2
83.08623	22.6
85.06547	67.5
85.10150	2.0
91.05473	34.2
93.07050	66.9
93.07633	4.1
95.04977	16.1
95.08613	98.9
97.06522	10.8
97.09721	1.8
97.10178	17.6
98.20828	2.6
99.08102	18.8
103.05459	3.0
105.07040	48.0
107.04967	10.2
107.07887	3.1
107.08601	68.0
109.06486	6.7
109.10161	70.9
111.04438	11.5
111.08064	6.8
111.11674	5.2
113.05986	3.2
115.05502	2.5
117.07016	15.0
119.08586	47.5
121.02883	5.1
121.06514	5.1
121.10152	46.4
121.11019	2.4
123.04353	2.6
123.08047	6.5
123.11718	39.6
125.05972	2.0
125.09630	29.4
125.13243	2.7
129.07010	4.2
131.08582	23.1
133.06442	4.2
133.10141	48.2
135.08031	4.8
135.11700	29.8
137.05962	3.9
137.09601	7.2
137.13277	16.7
139.11156	3.5
143.08569	4.3
145.10133	22.0
147.08041	3.2
147.11688	31.6
149.09639	3.7
149.13269	37.5
151.11133	5.8
151.14839	4.8
153.12709	2.8
157.10072	4.4
158.06027	4.3
159.11697	22.7
160.42738	1.9
161.09592	5.6
161.13246	29.1
163.11194	6.8
163.14827	26.1
165.12766	6.8
167.14307	2.9
169.10085	4.7
171.11777	2.5
172.54163	2.3
173.09717	2.6
173.13263	17.6
175.14854	27.3
177.12730	4.7
177.16336	9.6
179.14319	8.1
179.17899	2.6
181.10196	2.7
187.14857	17.3
189.16374	23.7
191.10713	2.5
191.14313	2.6
191.17947	4.8
193.15843	4.5
197.13179	2.8
201.09164	2.1
201.16336	10.6
203.17929	9.1
205.15811	6.1
207.17503	6.5
215.17982	16.7
219.20943	2.2
223.16814	3.0
225.18477	5.5
229.19475	7.3
231.21162	11.4
233.15338	3.0
233.18997	7.5
243.21133	2.5
245.22624	36.9
247.20509	2.8
259.24203	2.3
261.18445	4.0
261.22336	3.2
261.25589	3.1
263.23679	8.7
271.16830	2.7
271.24200	35.8
275.11053	11.1
289.18011	11.8
289.25278	47.5
307.09711	5.0
307.13812	2.1
307.18744	12.8
307.26276	70.7
307.29260	2.6
308.23703	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	307.2636
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03936	7.2
55.01868	7.1
55.05519	69.3
57.03428	5.8
57.07089	13.4
61.02927	3.5
61.64677	1.5
67.05516	23.6
69.03438	26.6
69.07079	76.9
69.43001	12.6
70.06593	3.4
71.04659	1.7
71.04995	11.8
71.08639	3.6
72.08170	2.4
73.02916	6.0
73.06569	2.1
79.05508	29.0
81.03431	17.1
81.07068	100.0
83.04993	41.7
83.08631	15.1
84.04488	3.5
84.08157	3.4
84.57854	1.6
85.02917	47.6
85.06554	5.0
86.09733	4.1
88.06612	1.6
91.05493	17.3
93.06494	2.9
93.07059	67.7
95.04968	5.9
95.08619	69.4
95.59156	2.0
96.04549	1.9
97.02917	18.1
97.06547	20.2
97.10169	6.9
98.09710	2.9
98.21554	3.3
99.04463	26.7
99.08118	2.1
100.13156	1.7
101.02361	1.9
103.03317	3.3
103.03963	46.7
105.07038	20.3
107.04974	3.1
107.08609	68.2
108.79598	1.8
109.02889	17.3
109.06542	7.7
109.10172	41.1
111.08098	15.9
111.11760	11.5
116.04952	1.9
117.07013	4.5
119.08605	13.3
120.04470	2.6
121.06515	6.4
121.10160	27.7
123.08107	2.9
123.11731	27.6
125.06017	24.7
125.09645	3.6
125.13297	2.2
127.03931	63.1
127.07579	3.1
130.06555	4.1
131.08559	5.2
133.10176	11.1
135.08035	3.8
135.11710	76.3
137.13266	20.1
138.09114	2.6
139.07552	3.8
139.11205	12.1
143.07069	6.7
143.08519	2.2
145.04985	17.4
145.10147	5.6
145.65179	1.8
147.08025	2.0
147.11682	8.3
149.06013	2.9
149.09601	2.9
149.13300	12.9
151.11163	5.5
153.12752	16.1
157.07663	2.9
158.06039	5.1
159.11723	10.4
161.13268	8.9
163.06015	4.7
163.11230	8.2
163.14839	6.8
165.12816	2.9
167.10765	4.6
173.13266	4.6
175.08737	3.0
175.14806	6.0
177.12753	3.1
179.14339	2.3
181.12263	11.5
187.06064	11.7
189.16426	3.4
190.05000	2.7
191.17953	7.7
195.13882	2.6
201.16335	2.2
205.07146	7.2
209.19031	13.2
215.17970	4.3
236.09389	2.7
246.14963	2.6
249.06308	2.1
257.74213	1.7
271.17029	2.1
271.24130	6.1
279.11304	4.0
287.05585	2.1
289.14700	2.6
289.18143	5.3
289.25275	12.6
292.24799	2.0
307.10788	12.7
307.13705	2.5
307.16495	3.4
307.19702	6.3
307.26291	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
52.76155	4.3
54.43592	4.2
55.05504	23.1
57.03426	4.5
57.07069	14.1
65.03946	4.5
67.05518	28.8
69.07072	47.1
70.93794	3.9
71.04983	10.1
71.08636	6.3
74.49559	4.5
79.05495	29.7
81.07054	100.0
83.04967	6.9
83.08623	22.0
85.06534	28.0
91.05489	15.3
93.07041	57.9
95.08059	7.2
95.08615	86.4
97.06521	17.1
97.10147	6.5
99.08088	7.9
105.07026	31.0
107.08595	66.0
109.06525	5.5
109.10155	59.4
111.08064	5.7
111.11704	6.0
113.09622	16.7
119.08592	36.9
121.06483	4.4
121.10149	69.2
123.08099	5.8
123.11716	32.1
125.09632	15.2
130.06665	5.0
131.08591	10.4
133.10152	25.9
135.11687	35.8
136.03300	4.2
137.05962	14.9
137.09570	3.7
137.13240	21.8
138.06299	11.2
139.11209	9.2
145.10132	14.6
147.11743	21.7
149.13258	21.5
151.11163	5.4
151.14914	5.1
157.10231	4.0
159.11699	21.9
161.13248	18.1
163.14835	41.6
171.89244	3.6
173.13260	14.8
175.14854	22.7
177.16385	6.4
181.15953	9.6
187.14815	11.0
189.16420	17.2
201.16484	6.3
203.18047	5.6
205.15817	5.7
215.18004	9.4
221.19093	6.1
231.21097	9.7
233.18930	4.5
245.22678	10.1
263.23657	6.6
271.24222	16.2
289.25357	22.4
297.02826	4.2
307.26312	13.9
307.30997	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	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.96395	1.8
53.03947	3.5
55.01867	5.1
55.05514	49.3
57.03430	7.9
57.07079	17.3
59.04993	5.3
61.99151	1.8
65.81488	1.7
67.05181	3.4
67.05508	38.4
69.03434	6.4
69.07069	91.2
70.67469	1.9
70.76408	3.9
71.04996	13.9
71.08640	5.2
71.63573	2.0
73.06536	2.3
79.05068	2.9
79.05493	31.4
79.48019	2.1
81.03422	2.4
81.07056	89.7
83.04987	3.6
83.08617	52.4
85.02898	2.8
85.06551	4.7
91.05483	30.1
93.07047	65.4
95.04979	6.6
95.08608	88.0
97.06539	17.2
97.10165	16.5
98.97569	3.2
99.08060	2.8
105.07032	35.6
107.04955	4.8
107.08601	65.2
107.28592	2.0
109.06497	13.2
109.10152	54.9
111.08092	15.1
111.11678	8.6
117.07024	7.1
117.07800	1.8
119.07809	2.7
119.08586	28.2
121.02918	3.4
121.06533	9.0
121.10146	55.3
123.08067	7.5
123.11707	55.5
125.09629	8.5
125.13210	2.5
127.03929	4.1
127.07535	5.4
127.11234	2.1
129.00195	1.8
129.07010	2.6
131.08595	10.0
133.10136	26.4
135.08067	7.3
135.11688	15.8
137.09633	14.2
137.13243	8.0
139.11185	12.7
143.08577	2.3
145.10117	12.9
147.08044	2.1
147.11708	21.2
149.09636	6.3
149.13258	42.9
151.11205	18.8
151.14828	5.0
153.12823	2.3
155.08519	3.0
157.10139	3.1
159.08063	3.8
159.11682	13.4
161.09612	4.8
161.13249	7.4
163.11218	9.5
163.14799	5.4
165.12723	9.8
167.10678	2.3
167.14325	47.7
171.11652	2.7
173.13264	7.3
175.14832	5.7
177.12773	3.4
177.16420	5.4
179.14331	3.1
181.12268	2.2
187.14867	4.8
189.16359	3.7
191.14310	2.7
193.15927	3.2
195.13741	2.6
197.13210	4.1
203.17882	2.7
211.14830	2.0
215.17944	2.1
219.17366	2.6
229.15990	1.9
229.19614	4.8
231.21010	3.9
239.17986	3.6
243.17410	2.2
247.20673	3.6
249.22098	3.8
257.19086	5.4
271.16742	3.0
271.24097	9.8
275.20096	37.9
278.87466	1.9
289.18338	10.1
289.25256	100.0
290.73138	1.8
307.09473	2.3
307.19119	8.4
307.22647	69.3
307.26303	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	15.8
53.04145	3.0
55.01879	23.1
55.05516	31.8
56.54103	3.0
57.03428	5.3
58.18830	3.0
62.85200	3.0
64.26393	3.2
64.76042	3.0
67.05508	52.4
69.03413	4.5
69.07069	36.5
69.86678	15.5
71.04984	4.5
77.78902	2.9
79.05069	5.6
79.05498	64.3
81.03425	30.3
81.07057	79.0
83.05005	14.4
83.08633	15.4
85.06524	5.8
91.05487	46.4
93.07048	59.5
95.04957	13.7
95.08621	39.0
97.06538	47.6
97.10178	19.3
98.20847	5.1
98.66753	3.1
105.07036	69.3
107.04966	35.4
107.08601	48.5
109.06509	8.3
109.10132	16.1
111.08081	6.4
117.07038	18.5
119.08590	33.6
121.06498	7.0
121.10128	12.6
123.08069	8.4
123.11716	7.7
125.09654	31.7
131.08569	25.0
132.77864	3.0
133.10149	39.9
135.08031	11.4
135.11708	15.5
137.05923	4.7
139.07593	3.4
141.06993	5.1
145.10135	18.2
147.11664	24.5
149.09621	35.9
149.13242	13.5
151.11194	6.1
151.16817	3.3
157.10112	3.6
157.12172	3.8
159.11700	19.0
161.13269	3.6
163.11140	7.5
163.14842	3.6
169.10153	3.5
171.11665	5.5
177.12726	10.3
179.14290	13.1
187.11229	5.9
193.62711	3.3
203.12837	25.5
205.12177	5.1
209.15343	7.1
219.17513	10.0
229.19513	4.8
239.18011	3.6
247.20471	6.0
257.19028	15.2
270.46085	3.3
275.20071	100.0
285.98410	3.8
307.23053	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	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03935	1.3
55.01870	1.6
55.05273	1.0
55.05515	13.7
56.96559	0.6
57.03421	1.5
57.07066	2.3
59.04992	3.6
59.29775	0.5
64.89989	0.5
65.03925	1.1
67.05510	20.7
69.03423	1.5
69.06733	1.0
69.07074	13.0
70.79234	1.0
70.79575	0.7
71.04996	11.5
71.08605	0.9
73.06571	2.7
79.05499	19.8
81.03443	1.0
81.07063	27.6
82.07370	0.9
83.04971	2.3
83.08624	8.0
84.08115	0.7
85.02893	2.2
85.06556	3.8
86.09756	0.7
87.04460	2.1
87.08094	1.1
89.34322	0.6
91.05487	29.2
93.07050	25.8
93.07643	1.2
94.04187	0.8
95.04961	4.1
95.08612	20.4
96.08942	1.4
97.05990	0.9
97.06537	7.4
97.10191	4.1
99.08092	2.6
100.49390	0.6
103.03939	1.2
103.05473	1.3
105.07039	37.6
107.04934	1.9
107.08600	18.2
109.06529	12.7
109.10161	15.2
111.08083	2.5
111.11731	0.9
113.05981	0.8
115.05472	0.8
115.90195	0.5
117.07030	8.0
119.08588	28.5
120.08943	0.8
121.02863	2.1
121.06516	5.4
121.09338	1.0
121.10158	14.2
123.08088	10.5
123.11726	5.0
124.08808	0.6
125.06047	0.7
125.09612	2.8
127.03925	1.4
127.07558	1.4
129.06998	1.8
131.08586	11.9
133.06534	0.8
133.10141	23.2
135.08057	5.8
135.11694	4.7
137.09622	7.2
137.13237	1.9
138.13577	0.9
139.11148	1.8
139.13937	0.6
143.08574	2.5
145.09059	1.1
145.10136	11.4
147.08127	1.2
147.11691	18.6
149.09631	5.7
149.13278	3.2
151.07504	0.6
151.11211	11.6
151.14795	0.6
154.66795	0.5
155.08559	1.9
157.10100	2.7
158.06044	0.9
159.08083	1.5
159.11707	8.3
161.09639	1.6
161.13292	5.0
163.07510	1.0
163.11200	7.6
163.14854	1.2
165.12779	8.0
167.10655	1.4
169.10144	2.6
171.11708	3.6
173.09550	1.0
173.13278	6.1
175.11270	0.6
175.14806	1.6
177.12730	2.4
179.14368	3.1
181.12248	1.1
183.11691	2.0
185.13307	1.3
187.11153	1.1
187.14836	2.2
189.12779	1.1
189.16444	0.7
191.10689	0.7
191.14203	1.2
193.16002	0.6
197.13225	4.0
207.13858	0.6
211.14804	1.9
213.05586	0.7
213.16319	0.9
215.14212	0.8
215.17976	0.7
217.81615	0.6
219.13846	0.9
229.15941	1.1
229.19527	4.4
231.17665	0.7
233.15341	1.4
233.19064	1.0
239.18019	7.8
247.16945	1.3
247.20642	3.5
249.18526	2.0
250.83290	0.6
257.19034	8.1
261.25760	0.8
265.18024	1.0
271.17117	1.1
271.24194	1.2
275.20087	52.0
277.21637	0.8
289.18030	2.5
289.21600	2.2
289.24768	2.8
307.10693	1.4
307.22681	100.0
308.23138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2056
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
51.10901	1.6
53.03938	2.7
55.01856	5.0
55.05503	7.1
57.03418	6.0
59.11546	1.3
59.30219	1.4
67.05512	13.2
69.03394	2.1
69.07056	7.1
69.88911	7.6
78.28504	1.7
79.05494	19.3
81.03420	2.8
81.07055	26.2
82.98022	1.5
83.04978	2.0
91.05485	24.7
93.07036	15.5
95.04965	29.2
95.08603	10.0
97.06528	14.3
103.05466	1.9
105.07030	46.1
107.08598	11.1
109.06513	6.1
109.10158	4.8
115.05434	5.5
116.06218	2.5
117.07004	12.9
119.07718	2.0
119.08575	48.1
121.06500	6.4
121.10166	11.9
128.06207	15.1
129.06999	19.3
130.07759	7.3
131.08572	24.7
133.10127	72.6
141.06982	10.3
142.07765	19.6
143.08556	43.9
144.09352	9.2
145.06480	3.0
145.10141	30.7
147.08015	5.7
147.11678	7.0
153.06967	6.1
154.07765	10.4
155.08548	15.6
156.09320	13.5
157.08835	1.9
157.10127	33.2
158.10892	8.7
159.08125	3.8
159.10492	2.0
159.11690	23.5
161.09641	10.6
165.07001	5.6
167.08556	21.6
168.09314	5.2
169.10139	31.2
170.10910	4.9
171.11685	18.5
173.13239	21.0
178.07837	3.1
179.08553	11.5
180.09354	5.1
180.11545	1.5
181.10123	15.9
182.10913	26.5
183.11662	14.3
184.12498	6.0
185.09663	3.4
185.13197	3.2
187.11171	6.5
191.08530	3.6
192.09357	5.4
193.10114	14.9
194.10861	9.1
195.11673	17.8
196.12459	7.1
197.13268	31.7
198.14001	4.2
199.14748	8.9
203.08681	2.1
203.14969	1.8
204.09236	2.7
205.10109	5.4
206.10875	13.2
207.11690	24.0
208.12515	11.7
209.13252	24.5
210.14023	2.6
211.14809	13.6
213.12869	1.7
217.10167	5.7
218.10886	6.1
219.11673	8.0
220.12430	6.1
221.13231	23.2
222.10333	1.8
222.13997	6.4
223.14792	16.0
224.15630	4.7
225.16296	2.8
229.10152	4.6
231.11708	3.8
232.12521	5.8
233.13295	15.3
234.14140	8.4
235.14868	11.0
236.12067	2.8
236.15633	2.9
237.12683	2.4
237.16501	8.4
239.17989	3.6
244.12482	5.9
245.13298	6.9
246.14035	4.3
247.14862	10.5
248.15613	6.3
249.16414	9.8
251.14291	10.8
251.17970	4.0
252.26717	1.7
259.14874	11.1
260.15604	2.4
261.16333	2.9
263.17993	18.0
265.15909	4.5
265.19611	3.0
274.17233	12.6
277.15909	3.7
279.21103	8.0
289.19565	19.2
292.18204	3.2
307.20554	100.0
308.20798	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	307.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94382	1.6
53.03942	4.9
55.01868	5.7
55.05515	12.4
57.03421	5.4
57.06001	1.5
57.07062	3.8
59.05004	14.3
63.66930	1.5
65.03931	3.1
67.05517	19.6
69.03419	3.7
69.07075	10.4
69.85658	6.9
71.04979	4.5
79.05502	22.6
79.11792	1.5
81.03432	3.6
81.07059	32.3
83.04975	6.4
83.08612	5.4
85.06541	6.3
86.09748	1.6
91.05492	28.6
93.07037	22.6
95.04981	27.3
95.08601	9.3
97.06532	16.4
103.05457	2.7
105.07039	46.7
107.04955	3.5
107.08584	12.4
109.06544	8.5
109.10178	10.0
111.08076	2.2
115.05482	6.4
116.06275	2.8
117.07020	14.6
119.08592	42.8
121.02957	1.7
121.06503	6.5
121.10132	12.5
123.08081	2.8
125.09673	2.0
128.06233	17.7
129.07014	18.1
130.06528	1.8
130.07790	6.2
131.08588	26.0
133.06503	2.9
133.10138	70.4
135.08041	3.7
135.11691	4.1
137.09654	2.2
141.07004	11.7
142.07761	15.3
143.07497	3.3
143.08566	41.5
144.09386	10.3
145.06529	5.0
145.10130	30.4
147.08086	8.1
147.11671	8.8
149.09637	3.1
151.11232	1.8
153.07002	5.8
154.07774	10.1
155.08577	11.8
156.09372	13.8
157.07574	2.2
157.10138	33.8
158.06079	2.8
158.10931	9.5
159.08070	5.9
159.11700	27.8
159.12923	3.1
161.09592	9.9
161.13246	2.2
161.26472	1.7
163.11200	1.7
165.07033	6.6
166.07777	4.5
167.08592	19.5
168.09328	5.0
169.10147	29.8
170.10887	4.5
171.11705	20.0
173.09616	2.2
173.13261	19.9
175.08771	1.8
179.08624	10.1
180.09366	5.0
181.10135	15.4
182.10916	24.0
183.11710	14.6
184.12477	6.4
185.09573	2.4
185.13292	5.8
187.11191	7.1
191.08618	2.7
192.09314	4.5
193.10104	14.7
194.10971	11.8
195.11667	17.3
196.12459	10.4
197.13261	31.8
198.14017	3.3
199.11307	1.7
199.14890	8.3
201.12788	2.2
203.08488	3.6
205.10156	5.4
206.10956	10.8
207.11726	19.4
208.12509	9.1
209.07091	1.9
209.13249	24.3
210.07748	2.4
211.14838	12.1
213.12720	2.6
217.10217	5.1
218.10902	6.2
219.11629	7.8
220.12532	5.9
221.13255	23.3
222.14053	6.1
223.11246	2.0
223.14894	14.1
224.15541	3.2
225.16405	4.4
227.14296	2.2
229.09993	2.8
230.10918	2.8
231.11787	4.7
232.12546	5.1
233.13248	13.7
234.14029	6.7
235.14827	10.2
236.11946	2.6
236.15625	2.8
237.12767	2.7
237.16426	6.5
238.07362	2.2
244.12450	5.9
245.13368	4.0
246.14018	4.3
247.14832	7.4
248.15683	6.4
249.16472	8.6
251.14267	9.3
251.17966	2.9
259.14844	12.3
260.15594	3.0
261.16364	3.7
263.17957	17.7
264.18719	2.0
265.16034	3.5
265.19421	2.6
271.80460	2.0
274.17160	11.7
279.21149	5.4
289.19818	19.0
289.25049	2.6
292.18155	4.8
307.09915	2.3
307.14566	5.7
307.20581	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1907
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
50.85632	2.5
51.38316	2.4
53.03940	7.4
55.01866	7.2
55.05268	4.6
55.05514	57.4
56.03868	2.2
56.35190	2.4
57.03423	5.8
57.07085	17.1
59.05000	7.8
67.05507	39.4
69.03439	17.4
69.07072	50.9
70.06590	14.2
71.05000	16.1
71.08633	4.6
72.08156	6.6
79.05505	33.8
79.48966	2.3
81.03414	9.3
81.06593	4.9
81.07062	87.9
83.04992	29.1
83.08153	5.2
83.08625	69.1
84.04541	3.3
84.08159	3.8
85.02907	17.9
85.06565	21.4
85.92760	2.5
86.09702	6.6
87.04452	2.5
88.07609	3.9
89.27921	2.3
91.05490	25.8
93.07048	75.4
95.04969	34.8
95.08616	59.3
97.02891	7.4
97.06532	23.8
97.10199	5.7
98.09698	5.9
99.04472	12.4
99.08115	5.6
102.09181	3.6
103.03948	9.8
105.07027	45.9
107.04964	7.0
107.08596	70.5
109.02885	9.4
109.06516	45.8
109.09476	5.4
109.10162	56.6
111.04453	5.7
111.08086	29.9
111.11765	7.5
113.06027	6.5
113.09671	5.3
115.05466	4.8
117.07024	14.2
119.04939	4.6
119.05896	3.3
119.08585	49.1
120.08124	4.5
121.06516	26.7
121.10148	33.6
123.08067	17.7
123.11698	24.6
125.05996	6.9
125.09633	19.8
127.03936	21.1
127.07545	20.5
128.06203	3.8
129.07028	5.0
129.10165	2.3
130.06554	6.6
130.07835	4.1
131.08588	20.3
132.95825	8.6
133.06432	3.1
133.10133	32.7
135.08057	42.0
135.11725	23.7
136.07741	3.2
136.08821	18.1
137.05960	3.8
137.09624	33.4
137.13258	13.0
139.07555	21.4
139.11176	9.4
143.08575	10.3
144.09341	3.1
145.04964	5.5
145.06483	3.6
145.10109	33.4
147.04469	3.7
147.08014	15.1
147.11702	16.8
149.09613	10.9
149.13269	12.0
150.05492	7.2
151.07556	14.5
151.11212	15.6
153.09084	6.1
153.12715	6.0
155.08607	5.3
155.10635	2.7
156.09381	6.5
156.85318	3.1
157.10129	10.5
158.06113	4.8
158.07240	2.9
159.08070	5.3
159.11719	21.1
161.09668	23.5
161.13280	11.3
163.06157	3.1
163.07542	6.0
163.11188	28.5
163.14882	4.1
165.09113	5.5
165.12805	8.2
169.10152	8.1
169.12268	3.2
171.11674	19.5
173.09628	15.2
173.13297	6.9
174.96889	5.4
175.11223	7.9
177.09116	4.5
177.12816	5.0
179.10698	58.8
179.14258	3.6
181.12254	7.9
185.13293	6.3
187.11221	10.7
187.14862	11.4
189.09132	4.6
189.12773	13.4
191.10669	4.1
193.12329	3.0
196.12448	4.0
201.20436	3.4
203.14354	3.7
205.12199	4.1
205.15886	5.2
211.14882	8.3
213.12735	8.1
215.10687	4.4
216.13921	7.5
216.98067	9.0
221.15384	17.0
229.15833	12.8
231.13750	18.0
233.11737	15.1
233.15315	16.1
234.16190	2.9
244.13405	13.4
245.15451	3.7
245.23041	19.5
246.16269	3.1
246.99240	3.0
247.16956	31.1
262.14432	13.3
263.16489	11.1
271.17010	12.6
277.17981	4.6
284.06979	2.7
289.15256	3.0
289.18021	83.8
289.25043	17.3
290.14130	3.7
307.16434	7.0
307.19116	100.0
307.26505	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1753
Annotation	Creoside II
Peak:m/z	Relative Intensity
52.11876	1.3
55.01866	2.3
55.05521	8.3
56.05046	4.5
57.03438	1.5
58.99590	1.2
60.04535	2.0
61.84935	1.2
63.44689	1.1
65.03945	4.4
67.05513	100.0
69.03437	5.7
69.07071	8.7
69.31991	8.7
70.06601	38.8
71.04987	3.9
71.06934	1.8
72.08166	17.6
74.06094	3.6
76.02258	1.4
79.05504	3.3
81.03424	3.5
81.07064	11.4
81.91713	1.4
83.08632	8.1
84.04513	14.1
84.08154	26.3
85.02924	15.8
85.06556	27.4
86.09718	28.3
91.05495	6.3
93.07085	2.7
95.05012	1.9
95.08613	1.3
96.04487	2.8
96.08165	1.9
97.02932	3.5
98.09709	4.4
98.21542	2.7
99.04480	3.0
102.05549	3.2
103.03956	4.8
105.07063	3.4
107.08615	2.7
109.02895	5.3
109.06534	1.4
109.10172	90.6
110.06108	1.7
110.07160	5.7
112.08697	2.4
115.08694	2.0
116.07099	1.7
119.04984	2.5
119.08575	1.8
120.06622	1.8
120.08118	6.5
121.02872	1.2
121.06575	1.6
122.06055	1.4
124.07644	1.8
125.02375	1.7
126.12808	3.6
127.03928	7.7
127.11212	26.1
129.06844	1.1
129.10252	7.7
130.05029	3.4
130.06546	14.8
131.08598	1.7
132.04469	3.8
133.10127	2.0
134.06012	2.4
135.08089	2.6
136.07608	2.5
140.14319	1.6
144.13832	2.0
145.04979	3.0
146.06001	3.9
146.09705	1.4
147.04434	8.6
148.07567	2.0
148.11256	2.2
150.05496	1.9
157.07654	11.0
158.06035	15.5
171.14934	1.7
173.07198	1.4
174.09164	4.8
175.08673	5.5
176.07140	1.9
176.10760	4.3
187.06126	1.4
188.07051	2.0
189.01846	3.0
191.08252	1.7
194.11856	1.3
197.12968	2.1
198.96889	1.9
203.08214	1.9
207.02933	1.8
243.07700	1.4
245.11469	1.7
261.08780	7.1
261.16141	1.3
271.14407	1.6
287.48825	1.2
289.08353	2.9
289.11877	5.0
289.15475	4.0
290.14276	2.0
290.17529	3.0
307.06006	5.4
307.09509	2.6
307.12903	8.5
307.16580	12.0
307.19418	2.2
308.15060	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01868	1.3
55.05517	5.2
56.05032	2.2
60.04529	1.3
61.02916	1.5
64.92876	0.9
65.03934	2.7
67.05510	100.0
68.05048	1.3
69.03432	6.3
69.07079	6.4
70.06595	23.7
71.04995	2.8
71.52243	1.2
72.08164	7.0
73.02927	1.2
74.06090	1.1
79.05489	4.7
79.37228	1.0
81.03421	3.9
81.07069	9.0
82.06609	0.9
83.04984	1.6
83.08635	1.0
84.04508	6.8
84.08150	15.8
85.02916	16.8
85.08466	1.6
86.09223	1.7
86.09713	20.2
87.10030	1.2
88.03971	2.1
91.05470	4.8
93.07050	3.5
94.06555	1.4
95.04960	2.9
95.06116	3.2
95.08595	3.8
96.04497	5.5
97.02885	4.7
97.06535	2.0
98.06031	3.1
98.09677	2.3
99.04462	3.4
100.30255	1.0
103.03939	4.2
103.05461	1.8
105.07020	3.5
106.06546	1.2
107.04958	1.2
107.08584	2.7
108.08153	2.0
109.02854	2.2
109.06541	2.6
109.10168	72.2
110.06011	1.4
110.07188	6.6
110.09650	1.4
112.08736	1.1
114.05485	1.2
116.01708	1.0
116.07104	1.4
118.06528	1.2
119.04938	1.2
119.08560	1.1
120.08121	6.3
121.06508	2.0
121.86133	1.2
122.06026	2.5
122.09691	2.6
123.08031	1.8
124.07546	1.8
127.03944	9.7
127.11214	7.7
129.10257	8.6
130.05046	1.6
130.06558	6.0
131.08517	2.0
132.04454	2.9
132.95834	3.2
133.06514	1.5
133.10048	1.3
134.05981	2.3
135.08072	1.7
136.07571	2.9
139.07599	1.4
139.08699	1.3
141.10133	1.3
143.08612	1.2
144.08130	1.1
145.04988	3.3
145.06522	1.2
146.06041	2.7
146.09735	1.4
148.07524	1.2
149.09625	1.5
157.07600	5.4
157.13324	1.3
158.06033	6.2
159.09192	1.6
160.07635	1.4
163.06087	1.8
166.08633	1.7
169.31015	1.0
173.07164	9.4
173.13153	1.8
174.09122	3.3
175.08694	4.6
175.12059	1.2
176.07117	1.3
176.10721	2.3
189.13881	1.7
190.08664	1.1
192.10182	1.5
193.15494	1.3
198.96861	2.5
201.06622	15.6
201.12383	2.4
202.12346	1.2
209.09402	1.2
215.08235	1.5
215.11838	4.5
216.97937	1.9
217.13428	5.0
219.07680	16.2
243.11252	2.2
244.13477	1.7
261.08746	2.3
261.12436	7.0
271.10883	3.0
271.14395	2.6
272.13092	1.4
287.05475	3.0
289.08951	1.9
289.11853	56.0
289.15128	2.2
307.12875	57.7
307.16534	26.8
307.19437	2.6
307.66760	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1651
Annotation	Antibiotic KO 7888C
Peak:m/z	Relative Intensity
52.92324	0.8
53.03954	1.5
53.78620	0.7
55.01866	1.5
55.05515	3.9
56.05032	0.9
56.96493	0.8
57.03428	0.8
57.49708	0.8
67.05506	3.2
69.03439	6.9
69.07064	3.0
70.06590	2.9
71.05008	1.9
71.52049	1.0
72.08155	2.7
79.05504	4.9
81.03432	2.0
81.07058	9.3
83.04993	2.9
83.08612	2.0
84.04501	5.2
84.08149	3.0
85.02905	6.1
86.09719	2.9
91.05487	10.0
93.07052	7.6
95.08620	3.7
96.04487	1.6
97.02897	1.0
97.06528	1.5
98.09709	6.3
99.04491	1.6
99.10021	4.1
101.07151	1.1
103.03969	2.7
103.05527	1.0
105.07031	13.3
107.04949	1.7
107.08595	4.6
108.04456	0.8
108.08155	1.0
109.02925	1.3
109.06522	2.3
109.10160	3.6
110.06096	1.7
111.04472	0.8
115.05518	1.4
117.07063	1.8
119.04982	2.4
119.08582	4.4
120.05234	1.0
120.08096	2.0
121.06493	1.3
121.10143	2.1
122.06069	4.7
123.06846	1.8
123.08054	0.9
123.11739	1.9
124.07605	8.9
126.05521	1.0
126.09185	5.0
127.03896	4.6
128.06221	1.3
129.06993	1.4
130.05025	7.4
130.06541	2.5
131.07581	0.7
131.08586	3.5
132.08144	1.3
133.06490	1.1
133.10135	10.3
134.06041	2.8
135.08054	1.5
135.11719	2.6
136.07582	55.8
137.06053	1.3
138.09142	54.6
140.07008	1.9
140.14368	1.1
141.14729	1.6
143.08553	6.6
144.13931	0.9
145.05022	1.1
145.06496	1.7
145.08904	1.2
145.10123	1.6
146.06052	1.8
146.07182	0.9
147.04436	2.4
147.11667	1.1
148.04800	2.5
148.07510	1.7
149.05008	3.2
149.08510	1.2
149.09656	3.1
149.13368	1.5
150.05432	5.0
152.07076	17.7
157.07637	2.0
158.06050	2.5
158.09700	1.1
159.06938	1.1
159.08119	0.9
159.11739	1.4
159.15808	2.1
160.07628	2.5
160.15965	1.5
161.09647	14.7
162.05533	2.4
162.09196	1.1
164.07071	100.0
170.08192	4.3
172.07597	1.0
174.05591	1.1
174.09174	3.7
175.11205	2.0
176.07204	1.1
176.10841	1.2
178.08678	2.9
178.12279	7.4
182.08138	23.4
188.10730	1.2
193.12260	1.1
202.08801	0.9
202.12231	1.2
203.10707	2.0
214.12183	4.6
216.13841	15.4
216.15768	1.4
218.11794	2.5
221.11790	2.3
232.13351	1.2
242.11739	6.4
244.13397	3.4
246.14919	17.6
246.17348	1.2
248.09285	1.0
260.13058	1.2
261.15970	1.4
262.14404	4.8
271.07278	0.8
271.19235	1.0
272.12842	2.0
279.15344	0.9
289.15332	6.4
289.18048	0.8
289.25311	1.5
290.13873	25.4
307.16589	58.8
307.19986	9.6
307.26517	2.2
308.14969	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	307.1286
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
53.03947	0.4
54.26034	0.2
55.01873	1.5
55.05504	1.0
55.64114	0.3
56.05033	0.7
57.03444	0.4
60.04514	0.7
60.05654	0.3
64.24762	0.3
67.05492	1.1
68.05044	0.4
69.03410	0.7
69.07065	1.5
70.06210	0.4
70.06594	7.1
71.04996	0.8
71.51743	0.5
72.07761	0.3
72.08155	5.3
74.06068	0.3
79.05498	1.3
81.03400	0.5
81.07052	1.1
82.06548	0.5
83.04971	0.3
84.04491	1.2
84.08149	8.3
84.38617	0.2
85.02912	1.4
85.06526	0.5
86.09222	0.5
86.09706	5.6
87.10003	0.3
91.05464	1.2
93.07057	1.7
94.06577	0.8
95.04974	1.0
95.08587	0.7
96.04487	1.6
97.02911	0.7
97.06519	0.6
98.06052	1.1
98.09682	0.4
98.97580	0.7
99.04454	0.8
100.07630	0.6
102.05534	0.4
103.03926	0.8
103.05431	0.4
105.07030	0.9
106.06551	0.6
107.04958	0.6
107.08610	1.3
108.04449	1.3
108.08102	0.4
109.02848	0.4
109.06513	0.8
109.07700	0.3
109.10166	0.5
110.06020	0.8
110.07164	1.0
110.09659	0.5
111.08089	0.4
112.07590	0.3
112.08753	0.6
114.05488	0.3
117.07052	0.6
119.05003	0.4
119.08604	0.7
120.04506	0.7
120.08102	4.0
121.02879	0.5
121.06493	0.7
121.10149	0.8
122.06033	2.7
122.09697	0.5
123.04462	0.6
123.08069	0.7
124.03934	0.5
124.07584	0.9
124.11205	0.5
125.05959	0.4
125.11555	0.5
127.03930	1.0
129.07022	0.7
129.10245	8.0
130.05029	0.6
130.06523	2.0
130.08655	0.4
131.08568	0.7
132.04460	0.8
132.08089	0.6
132.95816	0.3
133.06519	0.6
133.10071	0.5
134.06032	1.6
135.08098	1.9
135.09058	0.4
136.07561	1.8
137.05997	0.5
138.05507	0.5
138.09102	0.4
140.07045	1.9
140.14386	0.4
143.07344	0.2
143.08594	0.6
144.07997	0.3
145.04907	0.6
145.10149	0.3
146.06026	1.2
146.09659	0.6
147.06807	0.4
147.08028	0.6
148.03952	0.3
148.07578	1.0
149.05968	0.5
149.07071	0.5
149.09624	0.5
150.05518	0.6
150.09111	0.7
151.07523	0.5
152.07106	0.6
155.08519	0.3
156.08015	0.9
157.07614	1.2
158.06038	1.9
158.09579	0.6
159.08018	0.3
159.09222	0.3
159.11627	0.5
160.07582	2.3
160.11241	0.4
161.02269	0.4
161.08348	0.4
161.09631	0.4
162.05486	2.1
162.09117	0.6
163.08662	1.0
164.07039	0.9
166.04959	0.4
166.08662	0.4
167.10701	0.8
168.06589	1.9
170.06129	0.4
170.09692	0.4
172.07550	0.7
172.11263	0.4
173.07164	0.6
173.10829	0.6
174.05518	0.7
174.09128	2.7
175.08679	1.0
176.07100	1.1
176.10716	0.6
177.06577	0.4
177.10252	1.6
178.08641	13.6
180.06642	0.4
182.08104	0.7
184.07629	1.6
184.09030	0.3
185.13187	0.3
186.07800	0.5
186.09222	0.6
187.06053	0.3
187.07291	0.3
187.08716	1.1
188.07063	3.2
188.10715	0.7
189.01833	2.7
189.10252	0.4
190.08861	0.3
191.08188	1.0
191.11856	0.4
192.10278	0.4
196.09700	0.6
198.09192	1.6
199.08746	0.5
199.11143	0.3
200.10725	0.5
201.06624	0.7
201.10310	3.1
202.08640	6.1
203.08136	0.4
203.11726	0.3
204.10323	0.5
205.09735	3.8
206.08118	2.9
207.02922	1.1
207.18594	0.6
208.18962	1.4
211.08588	0.3
212.06984	1.3
214.12334	0.7
215.08113	0.4
215.11960	0.4
216.06580	0.3
216.10355	2.5
216.13864	0.5
217.09903	0.4
217.13368	1.3
218.08159	0.3
218.11797	0.5
219.07669	1.1
219.11304	4.3
220.09738	1.7
225.10214	0.5
226.08664	1.7
227.07080	0.3
227.10843	0.4
228.17029	0.4
229.09758	4.4
230.08145	3.6
242.11630	0.6
243.11307	1.8
244.09756	3.8
244.13367	0.9
246.14914	1.5
247.10797	11.5
248.09187	1.0
254.08110	0.6
259.14536	0.4
260.12924	0.4
261.08862	0.8
261.12350	1.0
262.10754	1.7
262.14383	2.2
265.11832	13.1
271.10782	1.9
271.13446	0.3
271.16971	0.3
272.09274	1.6
272.13089	0.6
289.11838	15.4
289.15189	0.8
289.18430	0.8
290.10257	0.7
290.13858	1.0
305.05624	0.3
307.06235	6.5
307.12906	100.0
307.16354	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	307.1287
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
51.45976	0.2
53.81387	0.2
55.01873	2.0
55.05505	0.7
57.03427	0.3
58.06595	0.3
65.03944	0.3
67.05509	0.6
68.05022	0.3
69.03418	0.7
69.07067	0.7
69.19562	0.3
69.82975	1.4
70.02959	0.3
70.06597	4.1
70.73801	0.2
71.05002	0.5
72.08161	1.5
76.02222	0.4
79.05495	0.7
80.04996	0.4
81.03425	0.5
81.07066	0.6
82.06564	0.3
84.04507	1.5
84.08138	2.8
85.02912	0.8
86.09714	2.5
91.05480	1.0
93.03429	0.4
93.07058	1.1
94.06585	0.8
95.04989	0.7
95.08606	0.3
96.04511	1.5
97.02901	0.8
97.06557	0.4
98.06042	1.4
98.09689	0.3
98.21436	0.2
99.04453	0.5
99.29962	0.2
100.07624	0.2
103.03946	0.7
103.05453	0.3
105.03390	0.3
105.07034	1.1
106.06583	0.3
107.08593	0.7
108.04486	1.1
108.08112	0.3
109.06537	0.3
110.06069	0.5
110.07167	1.1
112.07628	0.3
112.08714	0.2
116.06264	0.3
119.04961	0.6
120.04446	0.4
120.08101	1.4
121.02888	0.7
121.06539	0.4
122.06040	2.8
122.09647	0.6
123.04458	0.6
123.08057	1.0
124.03931	0.3
124.07628	0.7
127.03940	1.0
128.06198	0.2
129.07018	0.4
129.10265	1.1
130.05006	0.4
130.06526	1.3
131.08588	0.3
132.04417	0.4
132.08058	0.4
133.06471	0.3
134.06035	0.4
134.09657	0.3
135.08070	1.8
136.07570	1.1
137.05942	0.3
138.05505	0.6
138.09041	0.2
139.07571	0.6
139.08624	0.4
140.07063	2.2
143.07436	0.3
143.08640	0.4
145.05034	0.4
146.06030	0.7
146.08421	0.3
146.09654	0.5
148.03889	0.3
148.07590	0.6
148.11230	0.5
149.07097	0.3
149.09605	0.4
150.05472	0.5
150.09172	0.7
151.06323	0.3
152.07159	0.3
156.08080	0.4
157.07654	1.5
158.06007	2.7
158.09650	0.3
159.08035	0.6
159.09198	0.5
160.07611	1.7
161.02345	0.8
161.08391	0.4
162.05516	0.4
162.07776	0.3
162.09148	0.7
163.08673	1.5
164.07077	0.4
166.04930	0.3
168.06572	2.0
170.06128	0.4
170.09691	0.5
172.07596	0.7
172.11227	0.4
173.07138	0.5
174.05516	0.4
174.07930	0.4
174.09167	2.1
174.11476	0.5
174.12843	0.5
175.08646	1.4
176.07112	0.6
176.10654	0.3
177.06641	0.6
177.10278	1.3
178.08649	12.1
179.55763	0.3
181.09975	0.3
182.08208	0.8
184.07541	1.3
186.09187	0.7
187.06116	0.3
187.08870	1.4
188.07086	3.1
188.10756	0.4
189.01855	3.3
189.10338	0.3
189.13924	0.8
190.08739	0.3
191.08212	1.1
191.11864	0.4
196.09676	0.4
198.09184	1.5
200.10754	1.0
201.06624	0.9
201.10274	2.6
202.08653	4.6
203.12056	0.3
204.10164	0.4
205.09746	3.2
206.08182	2.2
207.02905	1.2
212.07050	0.8
215.08310	0.4
215.11742	0.5
216.10304	2.2
217.09947	0.5
217.13396	4.1
218.11783	0.4
219.07718	0.7
219.11290	4.6
220.09749	2.0
225.10263	0.5
226.08679	1.7
229.09740	4.2
230.08138	3.1
235.10968	0.3
235.14401	0.3
239.53925	0.2
243.07578	0.4
243.11261	1.3
244.09732	3.8
244.16982	0.4
245.16470	0.6
246.11270	0.3
247.10805	11.7
248.09235	0.9
248.75426	0.3
249.15916	0.3
254.08183	0.5
259.14374	0.3
261.08749	1.0
261.12363	1.4
262.10754	1.9
265.11853	13.0
271.10947	1.6
272.09247	1.7
272.12704	0.5
289.08609	0.5
289.11853	15.4
289.15204	0.9
290.10471	0.7
307.06125	7.2
307.12936	100.0
307.16507	11.2
308.13309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32232	0.7
52.31376	0.8
53.03940	6.4
55.01862	2.6
55.05513	8.6
56.05011	1.1
57.03437	5.6
57.07061	3.0
59.04995	0.9
61.02936	4.4
67.05506	8.5
69.03434	38.4
69.07072	15.9
70.06606	4.1
71.04991	7.3
71.08637	0.9
71.52383	1.1
72.08138	1.9
73.02912	4.9
73.16321	0.9
79.05489	6.8
81.03418	28.8
81.07058	25.8
83.04974	3.3
83.08636	5.5
84.04515	1.5
84.08142	4.4
85.02906	77.1
85.06532	3.1
86.09709	2.9
87.04468	1.8
91.03974	1.0
91.05476	6.4
93.07058	12.5
95.04982	8.7
95.08063	1.5
95.08614	19.8
96.04443	1.1
97.02891	28.3
97.05991	0.9
97.06496	4.9
97.10147	2.2
98.09679	1.8
99.04458	41.5
99.08147	1.2
103.03944	70.3
105.07034	8.7
107.04946	2.0
107.08613	11.4
108.04520	0.9
108.08099	1.2
109.02145	1.3
109.02879	22.3
109.06506	3.2
109.10168	10.3
110.60680	0.8
111.08078	2.1
111.11732	2.1
115.03915	1.2
117.07004	1.1
119.08615	6.3
120.08121	1.9
121.06504	2.1
121.10146	9.7
122.06033	1.4
122.09689	1.3
123.08025	2.0
123.11704	7.2
125.02368	1.9
125.06014	1.1
125.09608	2.1
125.13266	0.8
127.03918	100.0
127.07525	2.0
128.04283	1.3
129.06941	1.1
130.06529	2.4
131.08546	2.9
132.04446	1.1
133.06516	1.4
133.10126	5.2
134.06015	1.6
135.06374	0.9
135.08055	2.7
135.11678	4.8
136.07597	1.9
137.05986	1.0
137.09596	3.4
137.13245	4.7
139.11169	3.1
143.08565	1.2
145.04967	30.2
145.10135	4.6
146.06001	1.5
147.08025	1.3
147.11700	3.5
148.07553	2.2
149.09677	1.4
149.13278	2.5
150.09125	1.7
157.07600	1.3
158.05992	3.7
159.11739	2.7
161.09633	1.5
161.13252	2.6
163.06059	4.9
163.07300	1.2
163.11223	2.1
163.14868	1.9
164.07030	1.4
165.12759	1.2
167.10687	0.9
173.09656	1.4
173.13304	1.0
175.14847	1.9
176.10651	1.0
177.12807	1.1
179.14293	0.8
181.12227	1.0
186.09068	1.7
187.06026	18.0
187.11220	1.3
188.10722	2.6
189.16287	0.9
189.26889	0.9
190.12262	1.1
191.10602	1.0
205.07100	10.1
206.04530	2.1
207.04858	2.7
215.18007	1.0
216.13905	1.2
218.11746	8.0
224.05530	3.7
225.05890	6.1
229.12231	1.0
237.13846	1.4
243.13881	1.4
244.13391	0.9
246.14876	13.4
253.07210	1.0
260.12909	1.1
261.08658	1.4
262.14444	0.8
271.08127	2.9
271.13446	1.6
271.24283	2.2
272.09091	1.5
272.12997	0.9
275.11209	1.0
277.25250	1.3
289.09329	0.9
289.15213	2.8
289.18210	1.6
289.25125	5.0
290.10654	1.6
290.13947	6.8
307.13425	3.3
307.16504	27.7
307.19489	3.1
307.26291	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.01862	1.9
55.05502	3.0
57.03438	5.2
57.07087	0.9
61.02929	3.3
62.60981	0.6
62.91311	0.8
67.05499	2.5
69.03429	30.0
69.07063	5.1
69.76107	3.9
71.01360	0.7
71.04992	7.8
73.02924	4.7
74.77724	0.7
77.80196	0.6
79.05481	2.8
81.03418	29.0
81.07060	9.7
83.01289	0.9
83.04958	1.0
83.08614	1.0
85.02905	73.5
85.06536	1.4
87.04482	1.6
91.05450	1.9
93.07065	3.4
95.04961	1.1
95.08608	6.9
97.02891	19.9
97.06558	1.4
99.04455	39.6
101.02374	0.9
103.03943	67.5
105.07036	1.9
107.08601	5.0
109.02879	25.1
109.06511	1.0
109.10142	4.0
111.11681	0.8
115.03929	1.6
117.06989	0.8
119.08584	2.3
121.10165	2.8
123.11685	2.1
125.05985	0.7
125.09644	0.8
127.03917	100.0
131.08502	0.7
133.10150	1.5
135.11705	2.9
137.13287	1.5
145.04964	21.5
145.10127	1.3
147.11681	1.8
148.77393	0.7
149.13240	1.6
151.11226	0.9
159.51247	0.6
161.13220	1.1
163.06018	2.7
169.04959	0.7
187.06024	16.6
199.05925	0.8
205.07074	10.5
208.87265	0.8
219.67790	0.6
253.07123	1.6
271.08170	2.4
271.17221	0.9
271.24127	0.8
277.13345	0.8
289.09183	0.9
289.25256	2.0
303.12662	0.8
307.26328	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	307.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.9
55.01869	2.6
55.05515	2.7
56.52513	0.8
57.03438	4.9
57.07067	1.1
59.04987	1.4
61.02922	3.7
62.27807	0.7
65.52477	0.8
67.05503	4.5
69.03430	31.6
69.07074	4.5
70.06596	1.5
71.04988	7.8
71.52385	0.9
73.02921	4.3
79.05496	4.1
80.54633	0.8
81.03417	28.4
81.07062	9.6
83.04988	2.7
83.08632	1.1
84.08157	1.4
85.02906	85.7
86.09719	1.9
87.04480	2.6
91.03974	1.1
91.05482	3.3
93.07057	5.1
95.04962	1.3
95.08595	7.1
96.04523	0.9
97.02892	26.0
97.06544	1.0
97.10144	1.1
99.04458	42.6
103.03943	71.4
104.69250	0.9
105.07047	3.3
107.08609	4.2
109.02881	21.8
109.06548	1.6
109.10145	3.7
115.03976	1.0
117.07008	1.5
119.08585	2.5
121.06494	1.4
121.10142	3.7
122.06068	1.1
123.11714	3.1
125.09608	1.4
127.03918	100.0
127.35316	0.9
129.06967	0.9
130.06477	1.1
131.08594	2.3
133.10107	1.6
135.08047	1.9
135.11697	2.6
139.03896	1.1
139.11212	1.2
143.08598	2.1
145.04968	25.7
145.10132	2.1
147.08125	1.1
147.11646	1.1
149.05975	1.9
149.09641	1.7
151.11203	0.9
155.08490	0.9
157.07599	2.0
158.05986	2.3
163.06044	4.9
163.11156	1.1
165.09091	1.9
165.64622	0.9
167.10690	1.6
173.13313	1.6
174.47523	0.8
175.14851	1.1
179.81393	0.9
187.06009	17.0
187.11136	1.1
195.11859	1.1
205.07101	10.4
253.07095	1.0
271.08075	2.1
289.08789	1.3
289.18036	2.7
289.25290	1.2
290.14093	1.6
307.13367	1.0
307.16434	4.1
307.19440	3.1
307.26224	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	307.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.7
54.51715	1.0
55.01862	3.9
55.05510	10.2
57.03433	7.0
57.07073	2.4
61.02916	4.6
65.03939	1.5
67.05516	9.4
69.03432	38.0
69.07072	19.9
70.06587	3.9
71.04995	8.8
71.08606	1.3
72.08142	2.5
73.02912	5.2
77.73045	0.9
79.05492	8.2
81.03424	30.9
81.07061	26.5
83.04964	2.9
83.08617	7.0
84.04486	1.0
84.08145	5.0
85.02907	84.0
85.06540	3.0
86.09714	2.9
87.04460	1.7
91.05492	6.3
93.07036	13.3
95.04977	10.1
95.08613	19.0
96.04467	1.2
97.02901	29.0
97.06531	4.4
97.10176	4.2
98.06046	2.0
98.20710	2.3
99.04460	43.4
101.02367	1.7
103.03947	69.6
105.07036	10.3
107.04978	1.4
107.08603	12.2
109.02882	21.0
109.06527	5.2
109.10156	10.8
110.07201	1.7
111.08091	2.3
111.11706	3.3
115.03919	1.3
115.05466	1.3
117.07019	3.2
119.08594	7.9
121.06516	3.3
121.10118	8.3
123.08096	2.4
123.11709	7.8
125.02354	1.5
127.03922	100.0
129.07010	1.1
130.06538	2.3
131.08580	3.4
133.10098	7.0
134.06033	3.2
135.06387	1.6
135.08034	3.2
135.11688	5.3
136.07581	1.2
137.05965	1.6
137.09586	2.1
137.13252	4.6
139.03941	1.4
139.11217	2.0
145.04962	27.0
145.10141	4.0
147.11710	4.1
148.07593	1.5
149.13271	3.7
150.05539	1.2
150.09134	2.1
151.07596	1.3
151.11168	1.4
153.12717	1.5
154.51120	1.0
157.10112	1.6
158.06050	3.6
159.08165	1.0
159.11662	2.3
161.13290	3.2
162.12708	1.2
163.05997	7.0
163.07190	1.2
163.11176	1.3
163.14824	2.6
165.12747	1.4
166.68813	1.0
173.13272	1.7
175.14836	1.8
176.07092	1.3
176.10706	1.8
177.09047	1.3
177.11491	1.3
177.16420	1.4
178.08681	1.2
187.06033	19.4
188.10684	2.7
190.12227	1.2
202.12257	1.1
204.06799	1.2
205.07094	9.3
205.12158	1.2
205.19853	0.9
206.04379	1.7
206.68921	1.0
207.05029	2.3
215.56543	1.0
218.11789	6.7
224.05493	2.4
225.05891	6.6
237.13811	1.9
244.13409	1.5
246.14911	14.5
259.14453	1.6
260.12921	1.2
271.08151	3.8
271.13455	2.0
271.24002	1.2
272.12732	1.9
287.05475	1.4
289.08963	1.4
289.15240	3.4
289.25159	6.1
290.10617	1.8
290.13864	6.9
307.10422	1.1
307.13437	3.4
307.16501	27.3
307.19492	3.3
307.26300	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	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75820	0.2
58.02955	0.3
63.87257	0.2
67.05506	0.3
69.07082	1.2
69.89793	0.6
69.90196	0.4
79.05506	0.6
81.07060	0.7
84.08167	0.3
91.05494	0.8
93.07018	0.5
94.04194	1.8
95.08607	0.3
95.90773	0.3
97.06531	0.2
100.07645	0.3
105.06974	0.4
107.04930	0.4
107.08630	0.6
109.06532	0.4
109.10178	0.7
112.64336	0.2
114.09147	0.3
122.03660	5.8
133.10141	0.9
135.11697	1.3
137.05986	100.0
151.11201	0.4
153.12762	0.9
160.19318	0.2
170.15413	1.8
182.15439	2.7
306.20587	1.3
312.69318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	15.5
69.03435	2.7
70.06592	2.1
71.50758	2.8
79.63739	1.9
82.99882	1.7
84.04514	3.4
84.08138	8.8
84.96053	2.3
85.02903	2.9
94.93006	8.5
97.02911	2.5
98.97594	12.4
100.99157	2.1
101.00896	10.6
103.68877	1.5
110.97591	6.9
112.89618	10.7
112.99143	4.3
114.05535	1.9
114.89307	2.8
115.02431	2.8
116.98640	3.9
119.00189	1.6
119.01921	15.5
122.45255	1.6
126.12850	1.4
128.98634	5.6
130.06537	90.5
131.00188	4.6
131.01923	2.3
132.04463	29.1
132.08200	14.9
133.03456	5.3
137.02997	2.3
142.06561	3.4
143.01912	3.9
144.13853	4.3
145.14211	5.2
146.06061	7.4
146.99677	3.3
150.91942	2.3
156.98157	2.9
157.03438	2.4
157.07623	100.0
158.06030	97.0
158.07355	3.6
159.09200	29.0
160.07600	3.8
161.02960	4.0
165.00659	3.1
168.99855	2.7
172.97614	2.9
173.07196	2.7
174.99214	5.3
175.04652	2.0
175.08688	39.7
181.07495	2.1
183.09253	2.2
184.07573	6.4
185.07112	18.3
186.05571	2.4
186.07716	1.9
187.00870	7.4
188.08060	2.6
190.98671	5.1
191.02370	2.0
193.00221	4.5
194.94536	1.9
196.99309	2.6
197.07033	3.4
199.08676	5.9
200.07092	1.7
201.06407	6.9
201.10330	4.3
202.89116	60.3
202.90956	3.2
203.08064	8.4
205.02171	2.7
207.01805	2.8
208.99707	5.9
209.07057	1.7
209.92842	1.7
215.00389	7.4
216.56230	1.5
216.90680	2.5
217.00302	2.5
218.92262	2.2
219.01826	2.7
219.03787	2.2
221.03432	1.9
221.09340	3.5
223.94501	1.6
227.08174	21.6
229.01965	5.5
232.90103	8.3
235.01295	2.4
243.07683	10.6
244.90158	3.6
245.09247	27.9
246.88086	2.7
247.03168	12.1
247.06973	2.3
261.02927	2.2
261.08734	26.8
265.04205	2.2
271.07150	20.2
272.07755	1.5
288.89044	5.2
289.04190	3.4
289.08231	15.0
289.12024	2.0
300.23221	1.7
306.90338	7.4
306.99930	1.8
307.05045	2.9
307.08066	14.6
307.13098	3.1
307.16504	2.2
307.19727	10.2
315.76926	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	306.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69954	0.4
53.03943	0.8
56.05026	0.8
57.03429	1.7
61.02925	2.1
67.05506	2.3
69.03432	7.3
69.16441	1.9
69.16869	1.7
70.06586	0.7
71.04991	0.9
73.02927	1.7
81.03411	2.1
82.17044	0.4
83.01268	0.4
84.08147	26.2
85.02910	10.9
87.04479	1.6
91.03947	0.7
97.02895	4.9
98.09687	0.9
99.04436	1.3
100.05923	0.4
105.50204	0.4
109.02907	1.9
109.10172	0.7
115.03947	0.6
120.27355	0.4
126.12798	19.2
127.03933	2.2
128.10722	0.6
142.40886	0.5
144.13838	100.0
145.04967	0.9
156.03806	0.3
221.95383	0.4
230.13899	0.5
248.14923	5.2
286.60037	0.4
306.19116	84.4
307.19458	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58947	0.3
50.69945	0.4
53.03967	0.4
55.01851	0.4
55.05510	0.5
56.05038	1.0
57.03432	1.5
59.30224	0.4
61.02933	2.6
61.64555	0.3
67.05501	1.9
69.03436	6.1
70.06611	0.7
71.04987	1.2
71.12402	0.7
73.02918	1.4
75.99386	0.3
80.64063	0.4
81.03416	2.5
81.07096	0.5
84.08149	26.9
85.02911	11.0
85.03432	0.3
85.33578	0.3
87.04474	1.9
91.03953	0.7
94.21176	0.3
97.02905	4.8
98.09711	1.7
98.97609	0.4
99.04455	1.0
105.12299	0.4
109.02862	1.8
109.10168	0.7
112.89610	1.2
114.89325	0.9
115.29979	0.4
126.12804	18.7
127.03930	2.8
128.10709	0.6
135.64279	0.4
144.13847	100.0
145.04987	1.0
148.74141	0.4
163.16869	0.5
182.94286	0.4
202.89125	1.0
248.14972	5.6
306.19131	78.4
307.19513	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	Methandriol
Peak:m/z	Relative Intensity
53.03928	2.5
54.86636	1.8
55.05511	16.7
57.07087	9.0
58.81541	1.6
59.05000	10.4
65.03938	2.6
67.05506	28.9
69.07071	39.4
69.61100	5.0
69.61512	6.1
70.06586	6.5
70.19055	1.6
71.04992	8.1
71.06888	2.0
71.08617	2.2
79.05490	22.6
80.43350	1.7
81.07058	59.6
83.04974	2.2
83.08623	12.0
84.08112	3.4
85.06548	18.1
88.07631	6.8
89.07978	4.3
90.08039	2.0
91.05487	27.3
92.91282	2.0
93.07046	52.2
95.04966	7.9
95.08612	100.0
97.06528	9.5
97.10167	4.9
98.09681	9.3
98.20726	1.7
99.08097	7.9
99.10044	4.5
100.57667	1.8
103.05497	1.9
105.07036	56.0
107.08597	49.0
108.09004	2.6
109.06517	5.5
109.10161	41.0
111.08097	6.0
111.11728	3.2
113.09621	3.2
117.07024	15.5
119.08585	57.9
121.10146	43.6
123.08070	7.5
123.11710	19.2
123.37135	1.6
125.09626	45.3
129.07024	6.0
130.06570	2.0
131.08588	36.0
131.27078	1.7
133.10136	45.5
135.08049	4.2
135.11691	22.8
137.05995	13.3
137.09607	8.0
137.13249	16.8
138.44672	2.0
140.14392	1.8
142.07832	3.2
143.08566	16.3
145.10132	44.7
146.05986	1.9
147.04404	2.1
147.07964	1.9
147.11697	41.8
148.04790	3.6
149.09605	6.7
149.13248	15.4
150.10420	2.1
151.07549	3.0
151.11194	7.9
152.06995	2.9
153.07419	4.4
156.09372	3.9
157.10126	19.3
158.06049	6.4
158.10895	2.9
159.11697	40.8
161.09628	5.9
161.13257	21.4
163.11150	2.6
163.14795	4.3
165.08902	2.1
165.12769	7.7
171.11696	16.1
173.07059	2.3
173.13274	43.5
175.11188	2.9
175.14833	12.4
177.12755	5.2
179.14359	3.8
185.13289	12.1
187.14868	24.7
189.12761	3.6
189.16397	6.5
191.14334	8.4
199.14836	22.7
201.16406	21.1
203.14246	3.1
203.18002	15.2
205.15883	2.0
211.13130	3.6
213.16394	28.3
215.17979	3.2
217.15927	3.2
217.19554	4.1
227.17938	9.8
229.19522	59.3
231.17474	7.8
241.19464	8.8
243.21109	28.2
245.18959	2.3
247.20595	16.8
255.17410	2.6
259.20520	15.2
261.22119	15.6
269.22653	42.6
273.18610	2.5
287.20203	6.1
287.23666	38.8
287.30423	4.9
293.31570	2.0
305.21124	32.1
305.24814	32.4
305.31482	84.1
306.17142	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2477
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03940	4.3
55.01867	4.7
55.05514	41.5
57.03437	3.3
57.07077	5.9
59.05003	5.1
59.95491	1.7
60.42899	1.7
65.03919	2.0
67.05507	30.9
68.65540	1.4
69.03426	9.2
69.07067	68.4
69.31002	3.5
69.31407	12.6
70.06590	7.0
71.04987	13.3
79.05494	20.3
81.03439	1.8
81.07055	100.0
83.04989	28.2
83.08612	13.0
84.08148	6.2
85.02902	2.4
85.06543	4.7
85.08479	2.1
91.05465	16.5
93.07045	66.4
95.04984	10.8
95.08609	58.6
97.02914	1.8
97.06522	13.2
97.10149	4.0
98.09694	55.5
99.08090	2.0
99.09417	1.7
99.10023	25.0
105.07028	49.6
107.04962	1.8
107.08595	52.4
109.06527	11.1
109.10159	41.4
109.10844	3.4
111.08067	8.6
111.11731	11.5
117.06999	3.3
119.04929	9.1
119.08586	38.5
120.04580	1.7
120.05312	6.7
120.08103	1.6
121.06505	3.8
121.10146	64.1
122.06076	2.9
123.08064	5.0
123.11695	32.9
125.06003	4.4
125.09659	5.1
127.11205	4.2
129.07007	1.9
130.06537	1.9
131.08571	7.9
133.10139	14.5
135.08083	3.8
135.11690	32.7
136.07550	1.7
137.09657	4.4
137.13211	8.4
138.09119	2.9
139.11157	11.0
140.03111	1.5
140.14343	15.0
141.14711	15.3
143.08574	3.1
143.10677	2.5
145.10091	16.3
147.04413	26.4
147.07988	3.2
147.11685	33.0
148.04759	22.3
149.05956	1.6
149.13281	14.8
150.49303	1.4
151.11168	10.5
153.12750	9.7
157.10147	3.8
158.06053	4.0
158.15421	12.6
159.11703	9.5
159.15726	8.6
161.13237	8.4
163.11186	12.8
163.14848	3.7
165.12761	20.3
167.10699	2.7
167.14381	2.0
171.11696	5.1
173.13251	4.1
175.14842	5.4
177.12712	3.8
177.16408	5.3
181.12231	12.9
185.13232	5.0
187.14790	5.1
189.16379	10.6
191.14313	2.4
193.12274	2.6
193.15918	3.3
199.14810	4.4
200.10770	6.9
201.16345	4.2
203.17967	2.6
205.15877	2.2
207.17374	2.3
213.16441	5.7
214.12260	2.2
217.13416	3.9
217.15796	2.1
227.18024	2.1
229.19539	2.9
231.17583	2.7
235.13264	2.1
245.12831	16.7
247.20790	2.1
257.12634	1.8
269.22595	10.0
287.13965	22.9
287.23666	35.1
304.69077	3.0
305.12067	30.3
305.15158	10.0
305.19382	68.5
305.24759	54.8
316.97394	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	Phorbasin H
Peak:m/z	Relative Intensity
53.03925	2.2
55.01873	1.4
55.05275	1.2
55.05513	13.5
57.03422	1.4
57.06838	0.8
57.07080	9.7
59.04994	3.8
65.03916	1.2
67.05508	25.0
67.34167	0.9
69.03454	4.5
69.07075	49.1
69.85503	4.9
71.04993	5.7
71.08639	2.0
77.03907	1.0
79.05074	1.2
79.05499	12.7
81.07063	100.0
82.90907	0.9
83.04990	2.3
83.08241	0.8
83.08626	10.2
84.08151	1.2
85.02914	1.1
85.06546	7.9
91.05479	5.9
93.07053	29.3
95.04987	4.6
95.08615	100.0
97.06509	3.2
97.10191	4.9
98.09702	2.5
98.97563	1.3
101.16649	0.8
105.07040	12.3
107.08601	27.7
109.06535	7.4
109.10165	41.7
111.08058	2.7
111.11749	5.6
113.06042	1.1
117.07015	1.3
119.08604	12.7
121.06489	3.5
121.09341	1.6
121.10157	25.7
123.08078	2.5
123.11715	41.7
125.05965	1.2
125.09644	8.7
129.06978	1.5
131.08556	3.4
133.10138	13.0
135.08032	1.7
135.11699	15.6
137.06020	1.7
137.09590	3.5
137.13266	75.6
138.13470	1.0
139.11201	6.2
142.07712	1.1
143.08537	2.0
143.10652	2.5
144.09258	0.9
145.10089	4.2
147.08044	2.3
147.10838	0.8
147.11714	8.4
149.09602	2.4
149.13280	13.9
151.07547	1.9
151.11159	3.3
151.14815	1.4
153.09093	1.2
153.12703	1.2
155.10695	0.9
157.10123	2.7
158.05971	1.2
159.11681	3.8
161.09657	5.4
161.13275	5.0
163.11130	3.7
163.14809	4.0
165.09042	1.9
165.12761	2.1
165.16385	0.9
167.10645	3.0
167.14363	1.0
171.11697	1.3
173.13301	3.0
175.11205	2.4
175.14830	4.4
176.10649	1.1
177.12706	2.7
177.16383	3.8
179.10684	2.5
179.17914	1.1
181.12218	3.5
185.13292	1.8
187.14766	1.4
189.16359	2.9
191.14256	1.2
191.17856	2.1
193.12181	1.5
195.13734	1.4
199.14917	1.3
203.14442	1.3
203.17909	2.9
205.19473	1.6
213.16399	1.7
221.15230	1.0
231.17519	1.0
235.16963	1.0
245.22643	1.5
249.18497	2.0
259.24088	2.1
261.18530	0.9
263.16501	1.4
269.22632	3.3
273.18488	1.4
277.25125	1.3
287.20383	1.3
287.23642	11.0
290.44476	0.9
304.69244	2.1
305.21088	4.4
305.24707	52.2
313.35391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	juniperonic acid
Peak:m/z	Relative Intensity
50.12683	0.6
50.43059	0.6
51.51266	0.5
53.03942	1.7
55.01880	0.9
55.05513	12.5
57.03442	1.1
57.07074	10.1
59.04998	4.7
61.56572	0.5
65.03945	1.2
67.05505	26.4
69.03430	4.2
69.07069	46.9
69.32700	5.1
69.77228	0.7
70.06604	1.1
71.05009	5.1
71.08630	1.9
79.05492	10.9
81.07057	100.0
83.04993	1.7
83.08614	9.6
84.08150	1.1
85.06543	6.6
85.10172	0.8
91.05476	6.7
93.07043	23.1
95.04980	2.6
95.08607	98.5
97.06522	3.5
97.10168	4.4
98.09697	1.8
98.97594	0.6
105.07030	11.5
107.07874	1.4
107.08598	25.7
109.06516	3.4
109.10157	39.5
111.08067	1.7
111.11724	6.2
119.08579	9.1
121.06501	1.7
121.10140	24.8
123.08066	1.9
123.11704	40.6
124.21658	0.5
125.06017	0.7
125.09625	3.6
127.07518	0.9
131.08566	2.3
133.10130	9.2
135.08057	1.2
135.11703	14.4
137.09641	3.3
137.13255	73.5
139.11168	4.1
145.10124	2.8
147.04407	1.5
147.08034	1.0
147.11705	6.2
149.09631	1.8
149.13261	14.8
151.07515	0.7
151.11200	2.0
151.14832	1.8
153.09128	1.4
153.12787	2.1
155.10600	0.7
157.10123	1.9
158.05972	1.1
159.11703	2.7
159.15707	0.7
161.09630	5.2
161.13297	4.3
163.11177	3.7
163.14841	5.0
165.09123	1.2
165.12747	1.4
167.10664	1.9
167.14359	1.0
171.11665	1.2
173.13225	2.2
175.11221	1.7
175.14828	3.6
177.12764	2.3
177.16388	2.1
179.10706	2.3
181.12250	4.4
187.14857	0.6
189.16377	2.7
190.26016	0.6
191.14281	1.1
191.17958	1.9
193.12245	0.9
201.16434	0.6
203.14307	0.8
203.18008	3.6
205.19533	1.1
207.13829	0.8
209.15344	0.8
213.16370	1.9
217.15871	1.0
231.17314	1.4
235.16946	0.7
243.25101	1.1
245.22627	1.8
249.18559	1.6
259.24133	3.5
269.22726	3.6
277.25198	2.0
287.23669	9.7
304.69357	0.8
305.14771	1.1
305.24741	49.4
305.28625	2.2
306.24893	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03949	4.6
54.75568	3.3
55.01867	4.4
55.05519	24.0
57.03442	4.4
57.07077	5.2
59.05010	17.8
65.03932	4.2
67.05508	37.1
68.14047	2.7
69.07072	40.4
70.06592	7.2
71.05008	15.7
71.32516	7.2
79.05489	47.8
81.06591	5.9
81.07054	91.3
83.04968	14.2
83.08617	15.0
84.08130	7.0
85.06541	28.1
91.05483	43.5
93.07044	100.0
95.04948	12.7
95.08607	88.8
95.09093	2.0
97.06538	35.5
97.10191	4.5
98.09703	16.6
99.08073	5.8
99.10029	9.2
103.05489	4.3
105.07037	78.5
107.08592	71.6
109.06508	12.1
109.10158	50.4
111.08059	4.3
113.09650	14.2
117.07022	15.5
119.04960	5.2
119.08582	77.2
121.06495	6.1
121.10147	84.4
123.08078	16.2
123.11729	16.4
125.09635	35.5
127.11221	3.3
129.07004	9.5
130.06494	5.5
130.07805	3.7
131.08575	41.9
133.06490	4.5
133.10127	50.7
135.08086	8.6
135.11678	34.4
137.09630	8.6
137.13342	3.5
139.11180	10.7
140.14291	7.5
141.14694	5.4
142.07741	4.8
143.08572	13.7
145.10130	47.9
147.04427	5.9
147.08061	4.3
147.11671	52.0
148.04756	7.1
149.09608	14.8
149.13229	16.4
150.10403	9.0
151.07570	5.9
151.11163	12.5
152.07076	5.7
153.07430	5.3
153.12822	3.4
156.09317	4.2
157.10117	21.1
158.05991	12.1
158.10944	3.6
159.11699	51.2
161.09695	6.3
161.13243	55.0
163.11157	5.9
163.14864	9.7
165.09126	5.2
165.12700	5.8
167.08513	4.5
167.10655	6.2
169.10170	7.9
171.11703	19.2
172.12302	3.9
173.09700	3.8
173.13264	43.5
175.14833	19.6
177.12785	7.3
179.14363	15.2
179.36404	2.9
185.13283	12.5
187.11192	5.2
187.14803	36.1
189.12817	4.0
189.16383	4.8
191.14302	11.4
193.15945	4.4
197.13297	4.7
199.14836	9.7
201.16429	10.4
203.17915	7.8
205.12186	3.9
205.15892	24.3
211.13165	4.3
213.16399	17.6
215.17975	3.9
217.15933	4.5
219.17453	4.0
223.16927	4.7
227.18028	5.8
229.15858	4.0
229.19597	18.1
231.17374	10.6
233.15218	3.2
241.19702	4.6
243.17494	4.2
243.21104	7.9
245.15326	4.2
247.20607	9.9
261.22134	5.6
269.19354	2.9
269.22620	14.3
287.16873	3.4
287.20148	15.0
287.23694	21.5
304.69064	4.6
305.15753	5.2
305.21045	42.0
305.24734	29.5
321.81836	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	305.2113
Annotation	Agallochin I
Peak:m/z	Relative Intensity
52.42780	1.7
53.03930	2.0
55.05511	14.8
57.03455	3.2
57.07087	3.8
59.05005	41.2
65.03952	4.0
65.75982	1.7
67.05512	10.3
69.03450	3.9
69.07076	7.8
69.93276	4.2
69.93688	4.5
79.05503	10.5
81.07061	11.2
83.04990	4.2
83.08628	3.6
84.08172	3.2
85.06552	31.9
87.04485	2.3
91.05486	34.9
93.07044	24.1
95.04966	4.5
95.08615	18.5
97.06552	6.4
98.09686	8.9
99.04478	4.1
99.08125	5.7
99.10049	3.8
105.07037	30.7
107.08601	20.5
109.06556	8.5
109.10184	8.4
111.08073	2.3
112.93941	1.6
113.06009	3.1
113.09621	2.2
115.05467	3.2
117.07020	12.0
119.06122	4.5
119.08591	23.8
121.06564	5.3
121.10159	42.6
123.08072	27.1
123.11705	1.9
125.05993	2.0
125.09637	22.7
128.06244	2.0
128.88098	1.5
129.07071	4.9
130.06613	3.8
130.07764	4.1
131.08591	14.0
133.06544	12.1
133.10117	11.1
135.08070	23.9
135.11697	2.2
136.12982	1.7
137.06023	3.7
137.09665	4.8
139.11197	1.8
140.14369	3.1
141.14716	3.9
142.07845	6.1
143.07060	3.0
143.08598	8.8
144.09406	2.6
145.10124	22.9
147.04411	4.2
147.08122	3.6
147.11755	6.4
148.04811	4.8
149.09621	26.0
150.10416	40.0
151.11188	36.9
153.07043	2.0
155.08675	2.3
155.10695	3.5
156.09369	10.7
157.10161	12.2
158.06111	5.3
158.15450	2.4
159.08139	1.9
159.11745	8.2
159.15727	2.3
161.09657	4.9
161.13394	1.9
163.11299	2.0
165.07143	2.6
165.07675	1.8
165.09134	21.8
167.08650	4.4
167.10686	24.7
169.10205	6.4
171.11685	16.7
173.09650	7.3
173.13255	12.9
174.10435	1.8
175.11304	7.0
177.12804	7.8
181.10236	5.6
182.11006	5.9
183.11742	3.5
185.13255	4.2
187.14778	2.9
189.12886	5.9
191.14325	2.6
193.10379	2.7
195.11823	5.9
196.12579	2.7
197.13182	12.7
199.11240	7.4
203.14290	2.6
205.12221	17.5
205.15971	6.4
207.11775	3.9
209.13290	3.1
211.15050	3.5
213.12819	3.6
213.16507	5.7
215.14352	11.7
217.12280	2.9
222.14050	4.6
227.18024	3.3
229.15837	8.4
231.13885	4.5
231.17599	2.3
233.15527	5.4
237.16394	8.7
239.14513	2.9
247.17088	4.1
255.17493	20.3
269.19193	6.6
273.18668	6.3
287.20065	64.7
287.23145	3.5
305.21295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	Agallochin I
Peak:m/z	Relative Intensity
55.05507	10.1
57.03449	3.7
57.05310	1.7
57.07064	2.0
57.53730	1.9
58.76998	1.8
59.05006	42.8
63.23805	1.8
65.03944	3.0
67.05501	10.2
69.03427	2.6
69.07072	7.3
69.22421	16.3
70.48723	2.0
75.04481	2.9
79.05499	9.4
81.07056	9.7
81.08308	1.6
83.04993	5.2
83.08613	4.0
84.08134	3.4
85.06549	30.2
91.05485	39.8
93.07050	25.5
95.04986	2.7
95.08608	13.1
97.06552	5.5
98.09686	10.0
98.21486	3.6
99.04497	2.5
99.08089	3.1
99.10078	2.3
103.05463	1.9
105.07027	32.6
107.08591	17.2
109.06502	10.9
109.10179	7.1
111.08113	3.1
115.05472	2.9
117.07028	13.9
119.04999	2.0
119.06084	3.8
119.08590	23.3
121.06525	3.9
121.10152	43.2
123.08084	29.2
125.09635	12.2
127.07648	2.0
128.06271	3.1
129.07071	5.0
130.06528	2.4
130.07831	4.9
131.08582	18.0
133.06532	9.5
133.07443	1.8
133.10149	8.4
135.08060	24.8
135.08994	1.9
135.11719	2.0
137.06044	2.2
137.09677	4.6
139.11244	3.6
140.14395	2.3
141.07019	2.6
142.07831	4.0
143.08611	9.5
144.09328	1.9
145.10106	19.9
146.06018	2.2
147.04506	3.4
147.08075	4.5
147.11726	5.7
148.04700	2.7
149.09622	37.8
149.13319	2.9
150.10417	48.1
151.11169	34.7
155.08601	5.5
155.10748	4.3
156.09361	9.4
157.10118	16.6
158.06053	4.0
158.10951	4.2
158.15494	3.5
159.08095	4.4
159.11710	9.8
159.15800	3.4
160.08864	2.3
161.09642	5.1
163.11281	3.8
165.09123	16.0
167.08609	4.3
167.09213	2.1
167.10684	32.0
169.10147	3.6
171.11742	14.8
173.07135	3.7
173.09706	5.2
173.13252	9.6
175.11263	8.0
177.09009	2.0
177.12846	5.7
181.10132	7.8
182.10992	6.0
183.11748	3.2
185.13297	4.0
187.14857	3.0
189.12837	7.4
191.14359	5.1
195.11729	6.2
197.13232	13.9
199.11115	8.8
203.14432	3.9
205.12234	22.7
205.16017	6.7
207.11740	5.6
208.12541	2.1
209.13219	2.9
211.14935	5.4
213.12839	4.1
213.16499	5.5
215.14343	8.9
217.12285	1.8
222.14108	4.2
227.17946	2.0
229.15994	6.1
231.13934	3.8
231.17361	2.0
233.15459	3.9
237.16357	11.6
247.16989	2.7
249.14995	4.7
255.17473	15.9
258.25626	1.7
259.59225	1.8
269.19107	5.6
273.18585	5.4
287.20074	70.4
287.23187	3.8
305.21255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.1
55.01862	8.3
55.05273	3.6
55.05513	48.2
57.03434	3.5
57.07069	6.7
59.05009	18.7
65.03935	5.7
67.05511	55.2
69.03418	10.4
69.07071	26.8
69.69092	10.7
69.69508	7.4
70.06593	6.0
71.04996	5.0
73.06545	5.0
79.05076	5.2
79.05499	70.1
81.03432	4.3
81.06599	4.8
81.07063	85.7
83.04965	8.0
83.08611	16.9
84.08141	7.7
85.06551	17.2
85.06974	3.0
88.58097	2.8
91.05482	95.2
91.75626	3.4
93.06495	5.9
93.07050	98.6
95.04977	16.5
95.05486	3.1
95.08611	83.6
97.05920	3.8
97.06507	14.9
97.10183	16.1
98.09688	18.0
98.20764	5.4
99.08083	4.5
99.10026	5.1
103.05481	2.8
105.04500	3.6
105.07034	84.4
107.04961	12.2
107.08594	40.0
109.06509	16.9
109.10177	14.9
111.08102	8.6
115.05457	9.3
117.07037	44.4
119.04931	5.6
119.08577	48.2
121.06497	17.1
121.10146	39.9
123.08051	19.1
123.11694	8.0
125.05924	5.3
125.09633	73.9
128.06183	16.4
129.06990	25.6
130.06549	5.1
130.07762	9.4
131.08583	100.0
133.06482	10.3
133.10124	36.4
135.08040	14.2
135.11702	19.6
137.06018	14.9
137.09608	7.8
139.11182	9.5
140.14291	4.4
141.06973	8.2
141.09151	4.2
141.14653	3.7
142.07808	8.3
143.07291	4.4
143.08568	75.8
144.09300	3.0
145.06483	3.6
145.10133	86.3
146.06046	3.6
147.04446	7.4
147.08015	13.0
147.11702	16.8
148.04758	3.8
149.09581	14.7
149.13280	7.2
150.10349	7.0
151.07527	5.9
151.11139	5.7
155.08534	9.3
157.10159	25.3
158.06012	8.9
158.15388	4.1
159.08040	6.9
159.11713	25.5
160.77759	3.4
161.09589	18.1
161.13290	7.5
163.07430	3.2
163.11214	4.7
165.09113	3.4
167.10623	6.9
169.10098	14.1
171.11684	25.3
173.07146	3.2
173.09692	5.3
173.13261	8.6
175.11206	7.3
177.09145	3.0
177.12692	5.9
180.09380	4.0
181.10095	9.1
182.10947	3.9
183.11729	16.0
185.13249	11.9
187.11130	6.1
187.14760	3.3
189.12744	5.6
193.12222	4.7
195.11659	18.7
197.13252	4.9
199.11168	8.6
199.14630	3.5
201.12744	5.1
203.14424	5.1
205.12277	3.2
209.13329	5.9
211.13338	8.3
213.12646	3.7
213.16290	5.6
215.14346	4.6
217.12276	6.9
227.14366	3.0
227.17941	8.4
233.15239	2.9
237.16397	25.0
245.18962	3.9
249.14862	4.1
255.17450	17.9
273.18491	32.1
287.20020	17.8
305.21390	75.2
305.24670	2.9
305.31448	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	305.2111
Annotation	Agallochin I
Peak:m/z	Relative Intensity
53.03936	4.7
55.01847	2.8
55.05507	13.4
59.05008	31.9
65.03949	3.3
67.05521	13.5
69.03445	6.0
69.04824	2.3
69.07043	6.1
69.34816	22.4
70.06595	3.1
71.04982	2.4
75.04486	4.4
79.05486	13.3
81.07069	14.8
83.05001	5.8
83.08633	3.5
83.11073	2.6
84.08170	3.9
84.74009	3.1
85.06546	28.8
91.05486	35.9
91.78405	2.5
93.07046	34.0
95.04955	7.4
95.08609	27.1
97.06528	5.9
98.09706	8.9
99.04469	4.5
99.08065	3.7
99.10049	5.2
103.05505	2.9
105.07023	26.5
107.04947	5.6
107.08580	24.9
109.06532	9.9
109.10157	6.2
111.08112	3.1
115.05452	4.9
117.07040	12.3
119.06044	3.4
119.08589	19.6
121.06506	3.0
121.10151	34.4
123.08063	19.4
125.09632	36.2
128.06297	3.1
129.07045	6.1
131.08588	13.2
133.06502	12.7
133.10155	10.8
135.08052	19.9
137.09604	4.8
139.11188	3.9
140.05647	2.7
142.07762	5.7
143.08592	7.9
145.10114	21.2
145.11110	3.0
147.04408	5.9
147.08101	5.5
147.11711	9.8
148.04831	7.3
149.09621	27.1
150.10384	34.8
151.11200	31.6
155.08582	5.2
156.09354	6.4
157.10078	13.3
158.05988	5.2
159.08128	5.6
159.11667	6.9
159.15814	3.8
161.09633	7.4
161.65036	2.7
163.11214	3.5
165.09087	13.6
167.08583	4.2
167.10718	23.2
169.10089	5.1
171.11736	12.8
173.09657	5.7
173.13315	13.1
175.11266	11.1
177.09163	8.5
177.12819	5.5
181.10205	6.4
182.10944	6.3
183.11806	3.3
185.13269	4.9
187.11252	3.7
187.14818	3.0
189.12819	7.9
191.14296	3.8
193.12271	3.8
195.11705	7.0
197.13200	13.5
199.11249	7.2
203.14532	2.9
205.12338	12.7
205.15897	5.3
207.11830	3.5
207.13803	3.6
209.13271	3.9
211.13293	5.5
213.16483	5.1
215.14316	8.9
217.12245	3.4
222.14127	5.3
229.15910	6.6
231.13760	3.5
237.16444	7.3
245.19118	3.5
247.16994	5.7
251.61360	3.0
255.17545	12.0
269.19019	4.6
273.18600	10.3
287.20081	62.2
305.16110	4.2
305.21216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1343
Annotation	2'-Deoxymugineic acid
Peak:m/z	Relative Intensity
56.05035	6.4
56.96568	32.8
57.03444	2.0
58.06604	5.2
60.04524	0.9
61.02949	1.0
68.05038	3.4
69.03439	1.4
70.06596	22.9
70.98122	14.5
71.95274	3.9
72.08176	1.7
72.96079	1.5
74.97646	1.2
84.04508	1.9
84.08172	3.3
84.96056	2.9
85.02926	3.7
86.06072	25.9
88.03996	4.5
88.99168	4.8
91.05475	1.0
97.14864	1.0
98.09711	4.3
98.97589	41.8
99.10071	1.5
100.07622	1.8
102.05589	2.1
103.03956	8.1
107.00218	1.2
108.79922	0.9
110.97623	1.7
112.07641	3.1
112.89612	6.0
112.99152	2.3
114.05534	78.6
114.09190	3.5
114.89359	0.9
115.00742	1.7
115.02470	1.0
116.98618	19.5
119.01980	3.3
124.07639	1.0
124.86887	0.9
124.95452	5.0
128.07088	1.3
128.98679	3.8
130.04991	5.8
131.00214	3.1
133.01773	1.6
133.03467	1.3
134.99657	8.7
139.06296	1.2
140.07059	5.7
140.98659	1.3
141.04074	0.9
142.08630	25.2
142.96590	4.3
143.00162	2.5
143.01883	1.2
145.01787	2.3
146.08115	9.4
146.99687	2.8
147.04424	1.8
148.04822	1.0
149.01297	2.8
152.94963	1.7
153.00771	1.1
156.98170	1.9
158.04555	2.1
158.06090	2.3
158.08136	11.8
158.99728	3.8
159.05093	2.1
160.09731	7.0
160.97655	3.3
161.01315	1.2
161.03029	3.6
165.00807	2.5
168.06653	2.2
169.09753	7.0
170.96024	7.1
171.11476	1.1
172.97646	2.3
173.01346	2.3
173.02966	1.7
173.07164	1.2
174.99147	4.6
177.00764	2.9
177.06100	2.2
184.97484	4.5
186.07626	100.0
186.99222	3.2
188.97069	20.8
188.98671	1.2
189.00642	4.6
190.98711	3.6
191.02342	2.5
193.00203	4.7
195.07268	1.1
195.08925	1.9
197.09204	6.7
201.00745	1.4
202.98619	9.7
203.04106	1.5
204.08638	8.7
204.87164	2.1
205.00330	3.1
206.98140	7.8
207.01775	4.8
212.97185	3.1
215.10364	2.1
217.00336	2.3
219.01770	1.5
220.99689	8.3
230.98135	17.6
231.00223	1.2
232.99841	2.4
235.01266	2.8
239.00764	1.8
241.11929	6.1
244.99715	5.0
245.05200	2.6
248.99228	9.1
263.00714	14.8
267.00565	1.0
269.11520	1.5
273.04724	4.0
281.01825	4.5
287.12387	63.9
305.02155	1.1
305.02808	1.3
305.06476	7.8
305.13614	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	3.1
56.96566	73.3
56.96850	3.5
57.21365	1.4
58.06610	2.7
61.02909	2.6
68.05022	4.6
69.03432	2.4
69.84898	9.7
70.06597	22.8
70.98124	27.6
71.82340	1.6
71.95268	10.9
72.96046	3.3
74.97572	2.9
75.28793	1.9
77.99757	1.5
84.08131	7.9
84.96033	4.6
85.02931	2.1
86.06073	17.7
86.66148	1.4
88.03962	3.7
88.99165	9.7
97.02887	1.9
97.49977	1.8
97.96775	1.7
98.09689	7.3
98.97588	100.0
101.95033	2.3
102.05553	2.3
103.03962	6.9
110.97588	3.9
112.07594	2.5
112.89596	3.1
112.99151	6.2
114.05535	63.6
114.09222	3.5
115.00726	3.8
116.98629	47.5
119.01896	4.3
124.95467	14.7
124.96136	1.5
128.07065	1.7
128.98604	5.9
130.05005	4.5
131.00195	7.2
133.01704	5.3
133.03523	1.8
134.99637	19.3
138.98085	2.1
140.00232	2.8
140.07072	6.0
140.98616	1.8
142.08632	23.1
142.96545	17.3
143.00226	3.8
143.01886	1.9
145.01730	4.4
145.03400	1.5
146.08145	8.1
146.99654	8.0
147.04413	3.0
147.98653	2.9
149.01218	4.1
151.69821	1.5
152.95001	4.6
158.08156	9.9
158.99678	7.3
159.05173	1.8
160.09677	3.9
160.97566	7.0
161.01294	3.8
161.02989	2.4
162.99213	2.2
164.96690	1.5
165.00705	3.6
167.22263	1.6
169.09758	5.9
170.96002	18.3
172.97597	4.9
173.01237	3.2
173.02937	2.4
173.09364	1.5
174.99167	7.1
177.00739	7.0
177.06059	2.1
184.96080	2.4
184.97540	11.6
186.07625	89.0
186.99205	7.0
188.97081	45.8
189.00676	9.4
189.41173	1.7
190.98724	7.8
191.02251	4.9
193.00241	10.2
197.09242	6.1
201.00691	2.5
202.98628	24.2
204.08664	9.6
205.00233	10.9
206.98141	26.0
207.01617	9.2
208.99641	1.9
209.03336	2.5
211.98747	1.8
212.97104	7.2
214.98575	2.6
215.10365	1.8
217.00237	4.5
220.99666	18.3
223.01262	2.6
230.98135	44.5
232.99707	5.6
235.01251	7.7
239.00829	2.6
241.11887	6.6
244.99660	13.1
245.05083	2.4
248.99185	18.9
259.12985	2.9
263.00751	31.0
273.01071	1.8
273.04688	3.8
281.01770	10.7
287.09149	3.4
287.12378	62.9
305.01862	4.0
305.05786	2.4
305.13586	27.9
305.16882	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1905
Annotation	Pipercallosidine
Peak:m/z	Relative Intensity
67.05502	2.8
69.07059	0.7
70.06592	4.1
70.38415	0.4
79.87677	0.4
81.07056	0.8
84.08150	1.4
91.05476	10.2
98.09693	73.8
108.99758	0.5
109.10174	1.0
111.10484	0.7
112.11259	0.7
119.04944	32.2
119.25317	0.5
139.14958	0.5
140.14343	30.2
147.04408	100.0
147.73926	0.4
158.15407	54.8
175.33443	0.5
289.60529	0.5
304.19067	87.2
305.19519	0.7
307.17859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89907	0.5
54.89447	0.5
55.05522	0.9
63.91132	0.5
67.05509	3.1
69.07076	0.7
70.05008	2.3
70.06604	6.1
79.85493	0.5
84.08147	1.2
91.05489	6.4
96.08136	0.8
98.09708	91.5
99.47317	0.6
106.03858	0.5
109.10174	0.7
111.10474	1.2
112.11262	0.8
119.04964	24.0
131.31215	0.5
135.11890	0.5
140.14362	36.3
147.04430	84.7
158.14088	1.3
158.15430	44.0
304.19107	100.0
305.19434	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82812	0.3
55.05495	0.4
62.23908	0.3
65.03938	0.9
67.05506	2.2
69.07077	0.4
70.06593	3.4
70.36641	0.8
74.11331	0.3
84.08147	1.0
91.05490	8.9
94.14713	0.3
98.09701	63.2
99.10015	0.3
101.17043	0.2
109.10178	0.9
111.10511	0.6
112.11253	0.8
119.04953	30.7
132.99683	0.3
140.13216	0.5
140.14352	29.8
147.04420	100.0
148.04747	0.5
158.15416	58.7
182.67831	0.3
260.69864	0.3
295.16913	0.3
304.19089	73.5
305.19522	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1908
Annotation	Pipercallosidine
Peak:m/z	Relative Intensity
57.09803	0.3
58.06601	0.4
65.23361	0.4
67.05508	3.4
70.06598	6.0
74.26756	0.4
75.89082	0.3
81.07045	0.4
83.85962	0.3
84.08151	1.6
91.05493	2.8
94.24107	0.3
96.08119	0.5
97.63272	0.4
98.09703	100.0
109.10172	0.8
111.10486	0.8
112.11240	1.0
114.56391	0.4
119.04956	10.2
140.14354	35.2
140.81642	0.4
147.04424	41.0
153.09555	0.3
158.15421	16.9
162.57513	0.5
178.76813	0.3
192.16750	0.3
193.66002	0.4
201.90451	0.3
227.52397	0.3
304.19089	77.0
305.19366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1869
Annotation	Leu-Thr-Ala
Peak:m/z	Relative Intensity
55.01886	0.5
55.05504	0.7
56.05037	3.9
56.96568	0.8
57.03431	0.5
58.06592	1.1
60.04532	2.8
60.05653	2.4
60.18616	0.4
61.02912	0.9
63.24428	0.4
67.05489	1.0
68.05025	1.0
69.03425	1.7
69.05807	1.3
69.07072	1.5
69.81995	0.7
69.82402	1.6
70.02975	0.6
70.06593	9.1
72.08167	2.9
73.02918	0.9
73.78470	0.5
74.06087	10.3
80.05023	0.4
81.03431	0.6
82.06603	0.7
84.04512	3.7
84.08150	7.9
85.02909	6.0
85.07677	0.4
86.06073	0.7
86.09709	100.0
87.10051	0.9
88.04004	1.4
88.48625	0.4
91.05464	1.0
96.04504	0.5
96.08140	0.8
97.02926	2.0
98.06071	0.8
98.09708	2.0
98.21494	0.5
98.97584	1.3
99.04471	0.4
100.03961	0.4
101.07143	4.3
102.05548	2.8
106.06606	0.5
106.41982	0.3
107.04980	0.7
109.02903	1.1
110.06049	0.5
110.07156	2.5
110.97610	0.6
111.07487	0.5
112.08735	1.6
113.07139	1.4
114.05556	1.0
114.12852	0.7
116.07117	0.5
116.98650	0.6
119.04961	0.9
120.06593	6.9
120.08146	1.3
123.04450	0.7
124.07580	2.6
124.11228	0.6
127.03922	1.5
127.05025	1.0
127.08703	0.8
129.10237	3.0
130.04996	1.1
130.08702	0.5
132.10242	1.1
135.06680	0.4
136.06566	0.5
136.07552	2.8
138.05461	0.5
138.06544	0.5
138.09058	0.4
139.08691	0.4
140.14339	0.5
141.10242	0.5
142.08650	3.7
142.12260	2.2
143.11836	1.4
145.05006	2.1
145.06020	0.4
147.04404	1.9
148.07507	0.7
148.31729	0.5
152.10764	0.5
155.08185	1.0
156.07823	0.5
157.13370	44.9
167.08167	0.5
169.05019	0.6
172.04314	1.0
172.67952	0.4
173.05862	0.5
173.09213	1.2
175.11974	0.8
185.12860	21.6
186.05643	0.6
186.07640	0.7
187.14424	17.7
191.10306	2.6
197.12900	0.6
201.08702	2.0
201.12347	2.8
203.13965	0.6
209.10431	0.7
215.13914	12.4
219.01668	1.0
226.13011	0.7
229.11873	0.7
233.15021	1.4
237.02991	0.6
239.13332	0.6
240.03360	0.5
258.04514	0.5
276.08630	2.2
286.17642	10.4
303.65744	0.7
304.07892	2.7
304.13300	0.7
304.16418	1.4
304.19073	1.4
304.23969	0.7
320.85513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01869	1.5
55.05512	1.1
56.05033	0.7
57.03439	3.7
58.06578	1.0
60.04531	7.6
61.02927	4.0
66.81700	0.6
67.05519	0.8
69.03093	1.0
69.03437	12.6
69.07074	33.6
69.77611	3.4
70.06591	4.7
71.04986	1.2
71.08240	1.0
71.08638	19.6
73.02908	2.6
81.03418	5.9
83.01341	0.9
83.08625	0.7
84.04527	3.7
84.08144	2.8
85.02911	55.8
86.02447	4.5
86.09720	3.5
87.04519	0.8
91.03963	0.8
96.04541	0.8
96.08166	3.4
97.02900	37.4
97.06545	4.6
98.06067	0.7
98.09687	2.3
99.04451	2.6
103.03947	4.8
109.02890	11.3
110.02397	0.9
110.07170	1.4
112.29022	0.6
114.09180	15.8
115.03941	0.8
115.49289	0.6
119.04946	0.8
120.08128	1.1
124.07576	1.3
126.09241	0.6
127.02990	0.8
127.03921	12.6
129.10266	1.1
130.06482	0.8
135.25171	0.7
136.07573	1.0
138.09145	3.1
140.14417	0.9
142.08644	100.0
145.04979	5.9
147.04414	1.5
152.10683	0.7
154.08606	1.4
156.10240	2.4
158.15448	1.5
166.08672	0.9
180.10207	0.7
184.09702	62.0
193.21713	0.7
208.09705	12.9
219.54173	0.7
220.09688	2.2
223.07610	2.0
238.10782	2.0
242.09401	0.7
250.10739	9.4
264.76312	0.8
268.12061	0.7
279.03500	0.6
286.12866	1.3
304.13928	3.1
304.19012	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1182
Annotation	Cenocladamide
Peak:m/z	Relative Intensity
51.02389	0.5
55.01874	2.2
55.05522	0.6
57.03444	2.8
65.03938	0.7
67.05507	3.7
69.07066	0.4
70.06590	4.5
71.52168	0.6
79.05489	0.6
80.05014	0.9
81.07055	1.3
82.06609	0.4
84.08152	2.2
88.50249	0.4
91.05479	4.9
91.80554	0.3
93.07033	0.7
94.06567	0.6
95.04974	1.2
95.08604	0.4
96.04488	0.4
96.08145	0.6
97.02940	0.6
98.09700	66.4
99.10014	0.5
105.07047	0.9
106.06558	0.5
107.04990	2.4
108.04469	1.1
109.06528	1.0
109.10172	0.9
112.11258	0.4
115.05476	0.5
117.07007	0.8
118.06559	0.6
119.04950	11.6
119.08588	0.7
120.04444	0.9
120.08121	0.7
121.06511	1.3
122.06020	1.7
123.04408	1.0
124.07613	0.4
128.06271	0.6
129.07004	1.4
130.06526	1.1
131.07401	0.4
131.08525	0.7
132.04472	0.5
133.06436	0.6
134.06003	2.1
135.04463	0.4
136.07530	0.8
137.05956	0.4
138.09155	0.5
140.14351	23.9
141.14703	0.5
143.07336	0.6
143.08557	0.5
144.08031	0.5
145.02847	0.5
145.06526	1.2
145.10168	0.4
146.06021	1.4
146.44858	0.3
147.04417	42.0
147.08044	3.7
150.05540	1.3
156.08076	1.6
157.05176	0.9
157.06412	0.8
157.08867	0.6
158.06073	2.3
158.07271	0.6
158.09660	1.1
158.15417	22.6
159.06796	0.6
159.08043	0.9
160.07571	1.0
162.05519	0.9
162.09102	0.9
164.07083	2.0
167.07330	0.5
168.08154	0.7
170.06053	0.4
171.06744	0.6
172.07574	2.4
173.06012	1.8
173.08347	0.6
174.09116	1.1
175.07587	0.7
175.09967	1.1
176.07047	1.0
177.49010	0.4
183.08083	0.5
184.07585	0.6
185.08275	0.4
185.09709	0.6
186.05496	0.8
186.09143	5.0
187.07501	0.5
187.09938	0.5
188.10666	0.5
190.08661	1.1
191.09439	3.4
191.16873	0.4
199.09683	0.4
200.07089	3.4
200.08762	0.6
200.10724	1.0
202.08772	2.3
202.10262	0.5
202.12242	0.9
203.07063	0.5
204.10193	1.0
206.04521	1.1
212.10698	1.1
213.09169	0.7
214.08667	2.8
214.12317	2.1
215.07298	0.6
215.09421	3.7
216.10201	0.9
228.10175	1.3
229.08743	0.6
230.08153	1.2
230.11926	2.2
230.13577	2.2
232.09718	1.6
232.13306	0.5
240.10194	0.8
241.85095	0.4
242.11798	1.2
245.12852	1.1
246.11330	1.4
247.08383	0.6
248.09227	0.7
256.09634	1.2
258.11203	9.1
258.13312	3.6
260.12592	0.5
262.10715	0.9
263.06955	0.5
268.09772	0.5
274.10788	2.3
276.12286	5.1
286.10721	8.7
287.13922	1.3
303.68475	2.5
304.11783	100.0
304.19058	57.2
305.11981	1.0
305.15103	0.4
305.19370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40884	0.3
55.01849	0.3
55.05514	2.4
56.05037	2.7
57.03436	0.5
58.06587	1.1
60.04528	9.1
60.05654	3.7
66.22523	0.3
67.05496	1.0
68.05024	1.3
69.03418	0.8
69.05811	1.9
69.07054	1.0
70.02977	0.6
70.06596	11.5
71.04993	0.8
71.06934	0.4
71.51202	0.4
72.08157	24.8
73.08471	0.5
74.06081	4.7
80.38075	0.3
81.07043	0.6
82.06578	0.4
83.06084	0.6
84.04510	2.1
84.08145	12.0
85.02923	1.6
85.03342	0.4
85.06532	0.4
85.07639	0.5
86.09707	7.3
87.05609	0.6
87.10040	0.6
88.03980	0.6
91.05496	1.7
95.06094	0.6
96.04505	0.5
96.08067	0.4
96.51727	0.3
97.02892	0.5
97.07616	0.4
98.06052	0.6
98.07165	0.5
98.09695	7.1
100.07626	0.5
101.07147	1.1
102.05514	0.4
103.05455	0.9
107.04948	1.1
109.02868	0.6
110.06042	0.3
110.07175	3.7
111.09227	0.4
111.64296	0.3
112.08749	1.9
113.07170	1.8
114.05540	0.5
114.06682	0.3
114.09217	0.7
115.08686	0.9
116.07085	0.5
118.08653	3.1
119.04919	1.8
120.08111	5.9
121.06522	0.6
122.06055	0.5
124.07576	0.7
125.07162	0.4
127.08651	0.4
129.10248	3.9
130.04973	0.6
130.06535	0.9
132.10168	1.1
134.06064	0.4
135.06850	0.4
136.07593	4.0
138.06573	0.6
138.08997	0.4
139.08710	0.6
140.07121	0.4
140.08179	0.6
140.14337	2.0
144.08090	0.5
145.09720	4.2
147.04407	4.5
148.07561	1.1
149.04710	0.7
150.05487	0.5
158.06024	0.5
158.15410	5.0
159.11298	5.3
160.07608	0.7
166.08649	0.7
169.09726	0.5
173.07123	0.7
173.09225	3.5
174.07846	1.6
175.08650	1.0
175.11938	0.3
178.04961	1.1
180.06613	0.4
182.08069	0.6
185.07143	2.1
186.05534	0.4
187.10789	7.1
188.07062	0.5
190.04991	1.6
193.09760	0.4
201.06598	12.7
202.07379	10.6
203.04555	2.7
203.08186	3.2
203.13876	0.6
204.05261	1.0
205.11823	6.6
207.11272	0.4
209.10356	1.0
212.05809	2.2
212.12251	0.4
213.06586	41.0
214.05009	0.5
214.07210	0.8
215.04500	1.7
217.13483	0.5
225.09837	0.8
226.13074	0.9
229.06091	1.5
230.06880	4.2
231.07715	4.2
240.05243	2.1
241.06090	5.6
245.05685	0.4
248.85341	0.5
253.12778	0.5
258.06375	19.4
259.07059	1.2
268.11545	0.8
269.05731	1.1
286.12805	1.2
287.06625	100.0
288.06808	0.5
303.65939	0.9
303.69147	0.4
304.09158	3.8
304.13217	0.5
304.18552	3.3
304.21405	1.8
317.19272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03932	3.2
53.96435	0.8
55.01875	1.2
55.05278	0.8
55.05515	11.3
57.07063	3.2
57.80872	0.9
59.04992	1.2
59.81608	0.9
60.05649	1.2
62.46586	1.0
65.03940	1.5
67.05189	1.4
67.05511	21.8
69.03416	4.4
69.05796	1.0
69.06733	1.3
69.07073	17.2
70.06586	2.5
71.04978	3.4
71.25044	1.2
79.05068	1.6
79.05491	17.1
81.07057	44.3
83.04977	2.3
83.08617	5.6
84.08163	1.2
84.55288	0.9
85.02896	1.5
85.06519	2.3
89.68411	1.1
91.05479	18.4
91.97521	1.0
91.99701	1.0
93.07047	70.4
95.04966	7.7
95.08611	35.8
97.06528	3.3
97.10159	3.7
98.09686	2.4
99.08072	1.2
103.05458	1.1
105.07037	25.2
107.04958	1.5
107.08597	91.8
109.06517	4.9
109.09384	2.1
109.10157	43.5
111.08112	2.2
111.11705	2.4
117.07019	2.9
119.08586	23.6
120.08067	1.3
121.06467	4.5
121.10142	34.9
123.08073	4.2
123.11713	19.3
125.09615	2.6
131.08589	6.9
133.10132	21.7
135.08047	3.4
135.11696	100.0
137.09624	3.5
137.13246	3.4
139.07565	1.1
139.11223	1.6
140.14291	2.3
143.08575	1.5
145.10129	8.6
147.04439	1.4
147.11696	18.7
148.62999	1.1
149.09662	5.2
149.13260	12.8
151.07500	1.3
151.11186	6.3
153.09093	1.3
153.12778	1.3
157.10088	1.8
158.15413	1.4
159.07896	1.0
159.11711	10.3
161.09605	2.7
161.13239	8.7
163.11182	3.5
163.14830	3.0
165.12776	2.4
167.10654	2.1
169.10181	1.9
171.11650	1.5
173.13254	7.2
175.11165	4.7
175.14836	4.4
177.09099	3.6
177.12724	1.9
177.16435	2.3
179.10686	3.2
181.12215	1.9
183.11600	1.0
185.13266	2.1
187.14748	5.0
189.12822	1.0
189.16367	2.7
191.14420	1.0
193.12228	4.5
197.13307	1.6
199.14769	1.8
201.12651	1.1
201.16354	3.5
203.17944	6.2
207.13773	1.2
211.14813	2.4
215.14372	1.2
215.17848	1.9
221.15318	1.4
225.16179	1.3
233.15399	1.5
241.19592	1.4
243.17471	1.5
243.21088	5.2
247.16916	2.7
247.81573	1.1
257.22620	6.5
261.22263	1.4
267.21124	3.7
275.23688	2.4
285.22144	12.6
303.05023	3.1
303.23160	74.2
304.19104	2.8
315.11572	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
55.05514	9.1
57.07071	2.6
60.68247	1.3
65.03928	1.5
67.05505	16.1
69.03421	1.3
69.07069	10.2
79.05496	10.8
81.07060	19.1
83.08609	5.1
88.48994	1.2
91.05478	8.2
93.07047	20.5
95.04990	2.1
95.08610	100.0
97.06515	2.1
97.10162	2.9
98.09686	3.2
105.07037	14.8
105.45100	1.3
107.08599	33.4
109.10162	26.5
111.08052	1.7
119.08581	22.2
121.10138	20.6
123.11710	9.6
125.06007	3.3
131.08569	3.6
133.10127	17.6
135.11699	36.8
137.13286	3.0
139.07581	3.1
140.14395	1.4
145.10101	8.3
147.04445	2.0
147.11714	13.7
149.13261	7.4
159.11700	7.9
161.13258	11.5
163.11116	2.5
163.14838	5.8
173.13254	7.9
175.14830	3.9
181.12309	3.9
187.14815	7.6
187.57378	1.3
189.12756	1.8
189.16389	4.0
193.12265	1.6
201.16422	5.9
203.17987	20.1
207.13901	4.2
207.91295	1.3
233.15387	7.8
243.21043	3.9
247.17076	2.6
257.22659	13.3
272.99869	1.7
285.22235	6.0
303.05057	2.6
303.19656	2.7
303.23203	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2318
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03926	1.0
55.01887	0.5
55.05512	9.6
57.07079	2.9
57.97456	0.5
65.03932	1.4
67.05508	19.5
69.03438	1.1
69.07067	10.8
71.04990	2.3
71.08638	0.8
72.14960	0.5
73.06543	0.8
77.98370	0.6
79.05491	9.6
81.07059	20.4
83.04965	0.6
83.08613	4.8
87.04472	0.8
91.05482	7.6
93.07045	24.7
95.04990	1.5
95.08607	100.0
97.06528	2.2
97.10155	4.8
98.09704	0.6
105.04535	0.5
105.07034	15.9
107.04993	0.7
107.08598	41.7
109.06524	1.9
109.10160	31.0
111.04434	1.4
111.08099	1.0
111.11700	1.2
113.05994	1.3
117.07029	1.7
119.08585	21.6
121.06513	1.5
121.10145	28.1
123.08060	2.9
123.11708	10.4
125.06000	5.1
125.09621	0.8
127.07553	0.6
130.07765	0.7
131.08557	3.9
133.10138	21.6
134.10942	1.1
135.11694	36.4
137.09628	2.0
137.13242	4.6
139.07515	2.7
141.09099	2.7
143.08560	0.9
145.10139	8.6
147.07945	0.9
147.11687	15.7
149.09612	0.6
149.13255	9.7
151.07529	0.6
153.09206	0.9
153.12741	1.0
155.08641	0.5
155.10666	1.0
157.10103	1.0
158.10861	0.7
159.11702	8.4
161.09703	0.9
161.13264	16.4
161.14609	0.8
163.11227	2.6
163.14824	9.8
169.10168	0.9
171.11714	1.7
173.13266	9.6
175.11188	1.8
175.14818	6.8
177.16394	1.5
180.17816	0.5
181.12225	3.9
185.13321	1.5
187.14806	8.4
189.12778	2.2
189.16380	4.8
190.17128	0.7
191.17960	1.0
193.12268	1.5
201.16388	5.5
203.14342	1.1
203.17966	24.8
205.12325	0.9
207.13821	6.9
211.14873	0.8
215.14374	1.1
215.17926	1.8
219.13820	1.9
221.15359	4.0
225.16447	0.7
229.15918	1.6
229.32368	0.6
233.15356	8.3
241.19557	1.2
243.17534	0.7
243.21107	5.4
247.16911	3.4
257.22641	18.4
261.18472	1.4
267.21027	1.7
285.22128	10.1
303.04910	1.5
303.23181	47.3
304.19028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
55.05515	8.7
57.07076	3.2
58.98992	1.2
65.03936	1.4
67.05508	18.6
69.07082	9.7
70.63672	1.3
70.64005	2.8
78.50774	1.2
79.05490	9.0
81.07060	21.1
83.08608	5.5
84.30987	1.3
91.05477	7.6
93.07047	26.0
95.04939	1.5
95.08612	100.0
97.06538	3.4
97.10165	3.3
105.07034	15.2
107.08600	39.1
109.10164	31.8
111.08066	1.7
111.11676	1.9
113.05914	1.3
119.08588	28.3
121.10149	24.0
123.08060	2.2
123.11713	7.8
125.05955	4.7
131.08566	6.6
133.10141	21.6
135.11694	42.3
137.13240	3.8
139.07509	2.8
141.09123	3.3
145.10141	8.2
147.11697	16.7
149.13263	10.2
153.12720	2.0
159.11697	7.8
161.13261	15.5
163.11157	2.9
163.14818	11.8
173.13292	10.7
175.14836	4.7
177.16293	1.4
181.12183	3.7
187.14807	8.9
189.12738	2.0
189.16370	4.1
193.12274	3.0
201.16435	7.2
203.17958	27.5
207.13818	6.6
215.14191	2.2
219.13916	2.0
221.15393	2.1
229.15974	2.2
233.04712	1.3
233.15421	6.7
243.21117	6.0
247.16859	2.4
257.22684	16.8
265.66113	1.4
285.22168	8.5
291.30234	1.4
303.23193	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2318
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03951	1.7
55.05509	10.5
56.60178	1.1
57.07058	3.4
61.09834	1.0
61.85757	1.0
67.05505	17.0
69.07075	8.7
69.24921	5.1
69.25343	3.8
73.06549	1.4
73.09357	0.9
77.03922	1.0
79.01525	0.9
79.05490	9.1
81.07056	18.8
83.08619	6.5
91.05476	6.8
93.07053	21.9
95.04963	1.8
95.08609	100.0
96.08932	1.5
97.06537	2.6
97.10162	2.5
98.09679	3.2
105.07040	15.9
107.08592	38.0
107.52448	1.0
109.10163	28.0
111.08104	2.0
113.05992	1.6
117.07006	1.3
119.08587	22.4
121.06514	1.7
121.10147	27.4
123.08043	2.5
123.11709	7.7
125.06012	5.9
125.09669	1.0
129.90134	0.9
131.08598	4.9
133.10130	21.6
135.11694	39.2
135.12733	2.2
137.09595	1.1
137.13292	4.9
139.07530	1.3
140.14351	1.6
141.09111	2.8
145.10153	8.8
147.04401	1.6
147.11702	12.7
149.13252	10.6
152.59351	1.0
153.09164	1.6
153.12720	1.8
157.10114	1.8
159.08064	1.3
159.11714	9.4
161.13261	13.4
163.11174	2.7
163.14832	6.7
164.82210	1.0
171.11800	1.5
173.13263	9.8
175.11212	1.6
175.14847	7.7
177.16389	1.2
181.12267	2.9
185.13275	1.2
187.14835	8.1
189.12741	1.7
189.16360	4.4
191.17967	2.0
193.12329	2.0
195.13882	1.5
201.12857	1.1
201.16434	6.8
203.17960	23.1
203.19768	1.6
205.12097	1.0
207.13838	5.4
215.14362	1.3
215.17992	2.5
219.13797	1.4
221.15385	2.9
233.15390	8.4
243.17522	2.3
243.21107	3.6
247.16962	2.5
252.22137	1.1
257.22672	21.6
267.20956	2.0
285.22128	10.5
303.05103	2.3
303.20026	1.6
303.23187	44.5
303.30914	2.4
304.19208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
52.75390	1.4
55.05514	19.6
57.03426	4.5
57.07060	6.7
59.04990	2.4
60.05658	3.4
65.70660	1.5
67.05508	33.9
69.03418	7.6
69.07072	16.3
70.06590	8.4
71.04995	3.5
71.08645	2.0
71.52146	1.9
79.05492	19.8
81.07059	48.4
83.04971	6.1
83.08622	15.5
84.08136	6.8
85.02902	2.8
85.06512	2.6
85.25385	1.7
91.05494	26.9
93.07047	40.1
93.77773	1.8
95.04975	38.5
95.08611	89.3
97.06520	7.9
97.10182	10.4
98.09666	10.6
99.04483	1.8
99.08067	1.9
103.05496	1.9
105.07033	49.0
107.04939	3.4
107.08595	66.4
108.19450	1.8
109.06557	8.3
109.10159	38.7
111.08070	5.5
111.11668	1.8
113.06007	4.3
115.05515	2.5
117.07021	7.2
119.04972	2.1
119.06088	1.6
119.08579	50.6
120.08112	2.2
121.06507	8.9
121.10146	39.2
123.08067	25.7
123.11723	10.4
125.09634	6.9
129.07036	2.9
131.08572	17.0
133.10138	24.5
135.08069	25.9
135.11687	31.3
136.07568	2.1
137.09618	3.3
137.13237	3.1
139.07585	1.7
140.14352	4.3
141.06891	2.0
142.07848	2.2
143.08560	7.3
143.10689	2.0
145.10127	21.2
147.04390	3.8
147.08002	4.9
147.11694	36.9
149.09656	8.1
149.13269	10.5
151.07509	8.8
151.11209	2.8
155.10674	4.4
157.10106	6.3
159.08092	3.3
159.11687	22.7
161.09618	7.3
161.13249	25.3
163.07553	5.2
163.11198	6.8
163.14819	5.9
165.09117	2.3
165.12776	2.4
169.10135	6.3
171.11691	5.7
173.09592	3.1
173.13248	15.0
175.11223	6.4
175.14833	7.0
179.14308	4.2
181.12228	5.0
183.11732	4.1
185.09624	2.3
185.13206	3.9
187.11200	5.5
187.14868	7.9
189.12721	4.8
189.16344	5.6
191.10672	2.0
191.14354	3.1
191.17949	2.0
193.12187	1.9
193.17523	1.8
195.13708	2.9
197.11633	3.4
197.13316	2.3
199.14909	2.4
201.12740	4.2
201.16351	6.0
203.10730	2.9
203.14328	4.9
203.18018	8.2
205.12283	2.8
207.13806	7.4
209.15370	5.8
211.14891	4.4
215.14484	2.1
219.13690	2.9
221.15425	6.0
225.16309	3.3
227.14348	4.6
229.12218	2.5
229.15866	4.4
229.19522	2.8
233.15431	2.9
235.13231	3.0
239.18135	1.6
241.19527	2.3
243.17389	5.5
243.21146	8.8
245.15201	2.5
247.16959	8.2
257.04483	2.0
257.19165	2.7
257.22614	6.4
261.18549	4.4
267.21201	3.8
285.18533	11.0
285.22110	13.9
303.04987	7.1
303.19540	38.3
303.23154	100.0
304.19333	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	303.1957
Annotation	CHEBI:85575
Peak:m/z	Relative Intensity
53.03930	2.9
55.01873	4.2
55.05504	15.9
55.34969	1.6
56.05031	1.4
57.03434	2.6
57.07067	3.3
59.05003	2.8
60.04544	2.0
60.05634	5.3
62.73845	1.5
65.03936	3.3
67.05508	21.9
69.03429	12.5
69.07072	23.8
69.82174	7.7
70.06586	7.1
71.04982	6.5
79.05495	31.0
81.07060	37.2
83.04992	17.5
83.08631	9.3
84.08143	5.9
85.02906	3.2
85.06528	3.7
86.09722	3.2
91.05484	50.6
92.65733	1.4
93.07046	59.1
95.04971	24.4
95.08608	38.0
97.06535	6.8
97.10184	5.7
98.09689	9.5
98.97580	2.8
103.05463	3.5
105.07033	59.1
107.04945	5.9
107.08598	69.4
109.06521	25.3
109.10153	26.4
111.04449	4.8
111.08087	3.5
111.11702	2.1
113.05910	1.7
115.05458	8.8
117.07015	22.2
119.04926	1.9
119.06078	5.0
119.08587	34.9
120.08097	6.4
121.06502	11.0
121.10149	100.0
122.09608	2.5
123.08084	21.5
123.11701	8.1
125.09634	10.0
128.06189	2.5
129.06976	3.1
129.10260	2.5
130.07799	1.7
131.08572	23.0
133.06442	2.9
133.07564	1.7
133.10138	26.0
134.05988	2.7
135.08054	67.8
135.11688	13.1
136.07520	1.7
137.05930	2.1
137.09618	5.3
138.09149	8.1
139.11169	3.8
140.14357	3.2
141.06973	2.0
142.07779	3.4
143.08624	8.8
145.06523	8.0
145.10120	20.7
146.07245	1.9
146.10899	1.8
147.04451	4.2
147.08043	11.5
147.11696	21.9
148.07550	1.5
149.09615	39.1
149.13269	5.9
151.11238	2.2
155.08536	4.1
156.09435	2.7
157.10155	8.4
158.15413	2.3
159.08018	8.8
159.11710	19.2
160.08865	2.6
161.09642	11.6
161.13257	12.4
163.07553	47.5
163.11186	8.8
163.14806	2.5
164.07039	4.4
165.09132	4.1
166.08684	7.7
167.10684	74.4
169.10150	5.8
170.10706	1.7
171.11705	10.3
172.08786	1.9
173.09673	4.9
173.13304	13.8
174.10378	2.7
175.11201	5.2
175.14844	4.3
176.10690	2.6
177.09103	3.1
177.12750	5.4
179.10548	1.9
182.10822	2.4
183.11696	6.3
185.09659	2.1
185.13278	4.7
187.11180	10.0
187.14857	6.3
189.09074	1.8
189.12794	12.0
189.16359	3.1
190.13493	1.9
191.10703	13.7
195.11763	2.0
195.13770	1.7
197.13248	4.4
199.14807	6.4
201.12813	7.6
201.16385	4.5
202.13562	4.1
203.14369	3.6
205.12187	19.1
207.13803	1.8
209.13210	2.5
211.14799	4.5
213.16408	2.6
215.14278	4.6
217.15883	1.7
221.15309	2.4
225.16264	2.0
227.14301	4.2
227.18013	2.2
229.12224	9.1
229.15857	3.4
229.19601	1.4
233.15289	3.3
239.17993	4.5
243.17506	2.8
245.15469	3.2
247.13271	1.9
257.19031	2.9
257.22726	2.2
261.18536	5.0
267.17435	5.3
267.21057	4.5
273.65326	2.1
285.12238	6.4
285.18497	57.3
285.22079	14.5
303.05106	6.5
303.10260	2.7
303.13443	7.2
303.19537	62.4
303.23196	51.6
303.26822	2.0
304.19147	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	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33748	1.7
56.05032	4.5
56.96572	16.0
57.03440	1.5
60.04533	10.4
60.05652	6.7
61.02926	2.4
63.85760	1.5
67.05489	2.4
68.05034	3.4
69.03427	6.1
69.05804	3.4
69.69727	9.1
70.02930	1.5
70.06596	22.0
71.05000	1.7
72.08161	9.2
74.02453	1.6
74.06071	7.0
83.06104	10.2
84.04502	12.0
84.08154	34.0
84.96061	1.5
85.02915	11.9
85.08516	2.4
86.09709	25.8
87.05586	3.6
91.05486	1.9
93.04532	7.1
96.04518	3.2
97.02908	6.4
98.06052	2.0
98.09698	1.6
98.97594	59.6
102.05581	2.5
107.04968	2.0
109.02898	2.5
110.07175	100.0
110.69736	1.5
110.97592	5.2
112.07633	2.3
112.08735	5.1
112.99154	2.1
113.07147	2.2
116.07137	2.3
116.98630	19.0
119.04986	2.8
120.08129	3.8
121.02888	1.6
121.06485	2.6
122.06041	1.5
122.95512	1.6
127.03935	2.0
128.98607	5.0
129.10246	14.0
130.08676	3.8
133.06078	13.2
134.99652	3.2
136.07591	6.4
138.06650	3.3
141.05453	1.7
143.11801	8.1
145.01665	2.7
147.04437	2.8
154.03886	3.1
156.07739	8.1
158.09274	1.6
158.99678	29.0
171.11220	2.9
175.11940	3.2
177.00743	20.0
182.03204	2.2
191.71942	1.5
208.04073	3.4
217.53558	1.6
219.01756	12.7
237.02765	8.3
253.12848	1.7
257.14081	3.4
274.13666	1.7
285.13358	7.4
289.05997	2.4
294.56464	2.8
303.08273	18.7
303.14594	12.3
303.17307	12.5
303.20758	2.3
307.07077	3.7
321.08450	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1956
Annotation	CHEBI:85575
Peak:m/z	Relative Intensity
55.01863	8.1
55.05516	33.5
57.03429	2.1
57.07078	4.6
60.04509	2.2
60.05655	3.4
61.62037	1.9
65.03944	3.5
67.05510	33.4
68.99804	2.7
69.03432	12.8
69.05791	2.4
69.07088	17.7
69.26783	19.6
70.06580	7.5
71.01348	6.8
71.04990	4.0
79.05498	24.8
81.03405	2.0
81.06644	3.1
81.07061	25.7
83.04988	11.3
83.08163	2.5
83.08624	43.4
84.08131	5.9
85.02878	3.0
85.06538	8.1
85.36179	1.9
85.68459	2.0
86.09698	4.3
87.92983	2.3
91.05492	37.7
93.07051	47.1
95.04979	38.2
95.07999	2.7
95.08611	54.5
97.06525	14.7
98.09685	13.2
99.08088	2.5
105.07035	34.9
107.04963	6.2
107.08603	92.1
109.06527	17.5
109.10172	27.9
111.04462	2.2
111.08094	11.9
113.06016	2.5
113.09629	6.1
115.05444	2.9
117.07027	9.8
119.04900	2.9
119.06116	3.8
119.08594	36.1
120.08134	2.6
121.06510	28.5
121.09335	2.7
121.10146	32.0
123.08073	20.5
123.11702	4.7
125.09625	20.1
127.11176	4.4
128.53021	2.1
129.07010	5.9
131.08578	30.7
132.57008	2.0
133.06483	2.2
133.10138	39.2
135.08070	100.0
135.11693	16.5
135.70952	2.1
136.08815	6.0
137.05992	5.3
137.09616	9.4
137.13274	2.8
139.11172	9.8
140.14363	4.0
142.07767	2.9
143.08531	6.9
145.10120	14.0
147.04346	3.2
147.08069	11.5
147.11690	19.3
149.09634	25.0
149.13205	4.7
151.07544	5.6
151.11229	2.6
153.09102	8.5
153.12703	4.2
155.08598	2.8
155.10652	20.9
155.73680	2.0
156.09331	4.8
157.10123	11.6
158.11057	2.7
158.15417	3.6
159.08119	12.1
159.11674	14.9
161.09607	14.9
161.13223	5.9
163.11177	6.7
165.09019	2.8
165.12698	3.1
169.10115	5.0
169.12325	3.0
170.10789	3.3
171.11685	7.5
173.09593	4.2
173.13301	11.0
175.11185	9.7
175.14816	8.5
177.09087	4.2
177.12817	3.6
179.10660	4.8
179.14276	14.6
181.12271	4.7
183.11667	4.8
185.09560	2.9
185.13292	6.4
187.11226	9.0
187.14827	5.3
189.09026	2.4
189.12801	4.1
195.10199	4.9
195.11848	2.8
195.13829	2.7
197.10052	2.2
197.11728	14.0
197.13336	3.8
199.11136	2.2
199.14755	5.9
201.12811	10.9
203.10641	3.2
203.14369	6.9
208.14580	4.7
209.13199	6.8
217.12263	3.2
217.15883	3.2
221.15483	13.2
225.16457	5.8
227.14270	12.8
243.17444	11.9
245.15433	13.7
247.16960	5.3
251.67952	2.8
257.04471	2.3
257.18927	2.7
257.22574	2.8
261.18555	6.2
267.17493	2.7
273.18524	4.9
275.20087	8.9
285.18494	40.1
285.21637	4.9
303.04907	8.9
303.19504	74.7
303.23169	49.2
303.65967	2.5
304.19308	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93283	9.0
61.95094	9.9
70.06586	13.6
71.50574	8.3
71.50961	13.4
84.04555	12.1
84.08199	10.5
91.25032	9.4
98.97572	41.6
112.89597	22.3
114.89329	22.5
116.89120	18.1
116.98637	9.8
139.91476	16.5
140.99489	43.0
141.91286	27.8
165.84003	11.3
243.52910	11.5
303.04773	100.0
303.08383	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	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03937	0.2
55.01874	0.3
65.03931	0.5
67.01865	0.3
67.05502	0.4
68.99789	2.1
69.03409	0.1
70.06586	0.1
71.01352	0.1
79.05476	0.1
81.03420	0.7
81.07061	0.1
83.01320	0.1
89.03872	0.1
91.05495	0.2
93.03406	0.5
95.04973	0.6
95.08607	0.1
97.02895	0.1
98.06035	0.2
98.09681	0.3
103.05470	0.1
105.03390	0.2
105.07014	0.2
107.01324	0.1
107.04945	0.2
107.08603	0.1
109.02887	1.0
109.64010	0.1
110.03641	0.1
111.00806	1.7
112.71541	0.1
115.05450	0.2
117.07010	0.3
119.04983	0.1
121.02866	2.1
121.10146	0.1
123.04422	0.7
125.02286	0.1
127.03891	0.3
128.06235	0.1
129.07034	0.1
130.13861	0.1
131.04903	0.3
133.02859	0.1
133.06500	0.1
135.04468	0.5
137.02347	7.3
137.03400	0.5
137.05968	0.2
137.63905	0.1
139.05415	0.1
145.02855	0.2
145.06470	0.6
145.10138	0.1
147.04390	0.2
149.02357	0.9
149.05916	0.1
153.01828	9.0
154.12273	0.2
155.04897	0.9
155.06078	0.2
157.06549	0.1
158.15375	0.1
159.04387	0.3
160.05144	0.1
161.06004	0.7
163.03889	1.0
165.01839	3.7
166.02632	0.5
171.02939	0.1
171.04274	0.1
173.02350	0.1
173.05972	1.4
177.01820	0.2
177.05493	0.2
179.03375	0.4
183.02875	1.5
183.04424	0.9
184.05116	0.1
185.05997	0.1
187.03912	1.0
190.54808	0.1
191.03444	0.4
191.06967	0.2
193.46021	0.1
195.02840	0.5
199.14793	0.1
200.04700	0.1
201.05472	4.2
203.03424	0.1
205.04959	0.4
207.02869	0.3
209.04477	0.1
211.03867	0.1
213.05475	0.2
215.03389	0.3
217.04988	0.1
219.02905	0.2
219.06526	0.5
228.04175	0.6
229.04955	8.9
230.05362	0.1
232.03590	0.1
233.04568	0.1
239.03539	0.3
245.04486	0.3
246.05267	0.2
247.06029	1.3
257.04449	4.9
257.14969	0.1
274.04709	1.4
275.05511	0.3
285.03934	2.3
285.22089	0.1
302.03979	0.1
303.04977	100.0
304.05322	0.9
304.19092	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	302.2072
Annotation	Leu Gly Leu
Peak:m/z	Relative Intensity
50.23358	0.3
55.05511	0.6
55.96885	0.3
56.05030	0.7
57.03423	0.3
60.04517	0.3
63.16114	0.3
67.05496	0.7
69.07067	3.8
69.36252	0.6
69.36655	1.7
70.06601	4.4
72.08154	2.8
74.06097	0.4
75.05605	6.9
81.07056	0.7
83.04975	0.3
84.04504	1.0
84.08149	5.0
84.08638	0.5
85.02900	0.5
85.08472	0.4
86.09708	100.0
87.10038	1.0
91.05486	0.5
98.06064	0.4
98.09711	0.4
107.04942	0.3
109.10116	0.3
110.07173	0.7
111.04460	0.3
112.08746	0.3
119.08557	0.3
120.08119	1.4
121.06523	0.6
128.00775	5.1
129.01070	0.4
129.10260	2.4
132.10208	13.6
141.10258	0.4
143.11800	44.8
146.06050	0.4
152.07054	0.4
159.09215	0.4
164.11563	0.4
170.15770	0.3
171.11288	19.8
173.12793	0.3
185.16409	0.4
189.12346	8.3
192.10976	0.3
202.65512	0.4
245.18593	0.3
248.93312	0.3
257.18625	0.6
284.15570	0.3
284.19748	0.3
302.04404	0.9
302.17160	0.7
302.20697	1.9
303.04980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31707	0.4
55.05516	4.3
56.05047	0.8
57.05816	0.5
60.04533	0.5
68.05020	4.3
69.07062	0.7
70.06596	2.4
72.08159	100.0
73.02909	1.3
74.06083	1.0
81.03432	0.7
84.04507	0.6
84.08146	3.9
86.09711	50.7
87.04454	0.4
87.10107	0.6
88.04005	0.5
91.05473	0.5
96.04507	0.6
98.09631	0.6
98.52867	0.4
100.07632	1.1
108.07109	0.4
110.07163	0.8
118.08652	5.5
120.08105	1.2
124.03960	9.6
129.10236	1.7
132.10207	6.5
133.04974	6.7
143.11804	72.0
144.12111	0.4
157.13379	12.1
171.11298	37.4
185.12868	13.4
189.12350	5.2
202.35735	0.5
228.96674	0.4
231.16969	2.5
284.07492	0.6
302.20557	1.3
321.23602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98638	0.2
56.96303	0.2
56.96568	2.9
69.41315	0.7
69.41729	1.1
70.06581	0.4
71.95238	0.8
84.08127	0.6
98.97588	26.0
99.97916	0.9
100.97167	0.7
100.97969	0.3
101.00888	3.6
101.97254	0.4
102.96864	1.6
103.97217	0.4
107.61864	0.2
109.33820	0.2
110.26844	0.2
110.97490	0.2
116.98625	10.8
117.98964	0.7
119.01921	5.4
120.97909	0.7
129.10275	0.3
134.99652	2.8
137.02966	0.8
138.98924	0.2
140.98836	0.8
142.03514	0.5
144.92245	0.3
153.00769	0.2
158.99883	2.0
175.02991	0.2
176.97478	0.5
177.00969	9.6
178.00949	0.3
182.99843	0.9
196.90935	0.9
196.94537	0.3
201.00938	3.2
202.93425	0.5
212.92252	0.2
214.92027	1.6
214.95627	0.4
217.04057	2.1
218.03703	0.3
219.02017	17.6
219.92830	0.2
220.02104	0.7
220.94481	0.6
221.01901	0.7
223.01451	0.3
225.00847	2.5
225.02861	0.3
232.93039	0.7
236.92278	0.4
238.91945	0.9
238.95580	7.4
243.02002	12.2
244.02069	0.5
246.94449	1.6
247.44374	0.7
247.94447	0.4
254.93381	1.0
255.95108	3.7
256.45123	2.2
256.92670	3.4
256.96713	21.9
257.96701	0.5
258.45282	1.4
258.95166	1.2
258.99951	0.8
259.45145	0.9
259.99960	0.4
260.99933	3.6
261.03067	100.0
261.97333	2.8
261.99954	1.2
262.03076	4.0
263.03262	0.6
264.95737	1.5
265.45596	0.9
265.95676	0.5
267.45837	2.6
267.95294	2.5
268.45401	1.8
268.94919	0.9
272.94431	1.6
273.94510	0.9
274.44528	0.3
274.94131	9.0
274.97662	4.6
275.04340	0.3
276.95596	1.4
277.00964	0.4
277.45795	1.1
277.95514	0.6
278.00934	0.3
278.97263	0.5
279.00613	3.8
279.98270	13.5
280.00998	1.3
284.04709	1.9
284.99033	0.5
285.04950	0.3
290.95364	0.3
292.95145	2.9
297.95663	1.0
297.99054	1.4
298.97537	0.3
299.97623	0.5
302.93869	0.5
303.00024	1.4
303.04218	2.9
314.95667	0.8
315.96185	0.5
316.95380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01867	1.1
55.05494	0.8
57.03423	3.1
61.02919	3.0
63.10739	0.8
65.03930	1.7
65.23289	0.8
67.05506	24.7
69.03432	16.1
69.07071	62.4
70.02948	2.5
70.06575	3.4
70.56039	1.7
71.04970	1.0
72.08144	3.1
73.02917	1.7
81.03411	6.4
84.04491	1.9
84.08149	9.4
85.02908	56.1
86.09713	9.5
88.03957	0.7
91.03947	1.0
94.06524	1.1
95.04978	35.4
97.02895	34.9
99.04443	2.6
103.03947	3.7
109.02895	10.3
110.07206	1.1
112.06842	1.4
112.07612	27.8
113.05988	2.4
120.08076	2.1
122.06061	2.0
123.04440	0.9
124.07566	1.3
127.03927	10.7
129.10278	4.6
134.06027	0.8
136.07541	3.0
140.07069	100.0
142.89767	0.8
145.04977	5.8
152.07021	1.3
154.08685	5.1
164.07135	1.0
170.08038	0.9
178.08632	2.9
182.08139	55.0
199.17906	0.9
206.08138	10.3
218.08162	2.0
236.09184	1.9
248.09161	8.0
250.84042	0.8
284.11194	1.9
302.12369	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58789	0.2
55.05511	0.6
56.05032	0.9
56.96549	0.3
57.05814	0.5
58.06597	0.4
60.04516	0.5
60.05665	0.2
67.05507	0.4
69.07070	8.1
70.06596	3.4
70.66067	0.5
72.08161	2.9
74.06067	0.5
75.05608	0.7
84.04505	0.8
84.08139	3.4
85.02905	0.3
85.08480	0.3
86.09708	100.0
87.10045	0.8
91.05502	0.3
93.07063	0.3
95.30864	0.2
98.06071	2.2
98.09714	0.4
108.08149	0.3
116.07059	0.3
119.07343	0.3
119.97987	0.2
120.08108	1.2
121.06559	0.4
122.09676	0.3
122.10600	0.3
129.10225	2.2
130.06602	0.5
130.10588	0.3
132.08150	0.3
132.09219	0.5
132.10214	8.2
136.07559	0.4
137.05928	0.2
143.11800	8.7
159.09196	0.7
164.10693	0.3
165.01669	0.3
165.07010	0.4
171.11301	11.6
183.08054	0.5
188.07202	0.3
189.12341	9.0
201.12387	0.4
213.41464	0.3
229.15549	0.4
239.07065	1.0
239.17654	0.3
242.18683	0.3
244.04573	0.3
244.15442	0.3
256.09634	0.3
257.18579	0.6
302.20996	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01870	1.9
55.05498	1.3
56.05040	2.1
57.03430	3.8
60.04527	1.3
61.02913	3.3
65.03931	1.0
67.05509	20.9
69.03088	1.1
69.03437	17.3
69.07072	69.4
70.02953	3.3
70.06595	8.7
71.04993	1.6
71.51044	1.3
72.08160	7.3
73.02903	2.2
74.06070	1.0
81.03415	5.9
81.07053	1.3
84.04515	4.9
84.08150	14.4
85.02910	58.3
86.02431	1.1
86.09712	14.4
87.04508	0.8
88.03982	1.3
94.06576	1.6
95.04976	34.2
97.02896	35.2
97.03532	1.9
97.06522	1.0
98.06052	1.3
99.04425	3.1
102.05534	1.1
103.03957	4.3
109.02895	8.0
110.07197	1.8
112.06841	1.5
112.07614	24.8
112.92728	0.8
113.05993	2.7
115.03985	0.8
120.08115	1.7
121.06518	1.3
122.06017	1.7
123.04436	1.6
124.07620	1.5
127.03918	11.9
129.10248	4.7
130.08614	1.7
136.07585	3.0
140.07072	100.0
145.04984	6.8
147.11284	1.9
152.07057	2.0
154.08646	4.6
156.07672	0.8
159.29344	0.8
164.07213	1.1
178.08662	2.7
182.08134	51.5
185.05531	1.1
206.08116	11.0
210.07750	0.9
218.08112	1.8
223.10739	0.8
236.09164	1.0
248.09254	7.5
266.10236	1.2
280.09015	0.8
284.11295	1.9
302.12347	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03934	3.8
55.01870	1.5
55.05519	10.5
57.03436	3.4
67.05505	18.2
69.07075	8.1
69.35330	1.3
70.06581	2.0
70.09921	3.0
70.10346	4.4
71.04977	3.9
75.04471	3.4
79.05492	16.7
81.06596	2.5
81.07062	39.8
83.04969	1.5
83.08632	3.0
84.08128	1.4
85.06543	2.8
91.05489	24.5
93.07051	79.8
95.04951	3.9
95.08612	50.7
97.06528	2.9
97.10148	3.8
99.04485	1.6
105.07036	52.4
107.08605	29.0
109.06512	6.0
109.10159	16.3
111.08084	5.8
111.08822	1.7
113.05988	1.8
117.07027	5.2
119.08592	52.2
120.08085	1.5
121.06511	5.8
121.10155	35.7
123.08112	6.6
123.11691	3.0
125.09624	3.3
129.07030	4.5
130.07730	1.7
131.08559	16.0
133.10132	28.9
135.08067	6.9
135.11713	10.2
136.08591	1.6
137.09634	7.2
139.11229	2.3
139.80548	1.5
143.08592	6.4
144.09398	1.5
145.10129	31.2
147.08047	2.5
147.11694	32.7
149.09633	4.3
149.13318	3.3
153.09166	2.2
156.09296	2.4
157.10126	9.2
159.11707	19.7
160.12523	4.8
161.09579	2.2
161.13254	19.6
163.11192	4.9
163.14885	2.0
165.12697	3.0
167.10574	1.5
169.10054	2.3
171.11720	9.6
173.13281	13.9
175.11218	2.1
175.14914	2.4
185.13274	9.2
187.11267	2.7
187.14833	9.1
189.12860	2.0
189.16409	4.7
191.14333	1.9
199.14793	8.8
201.16411	11.8
202.17165	5.1
203.14183	1.8
207.13783	2.0
211.14731	1.6
213.16350	5.4
223.14714	1.4
225.16466	2.6
227.17986	12.6
240.23230	2.7
241.15877	1.6
241.19431	2.3
245.15495	2.9
255.17496	1.5
255.21091	8.8
259.20654	1.7
265.19507	4.5
283.20563	17.5
286.04932	2.0
301.07019	3.8
301.21625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2165
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
53.03945	3.8
55.01859	1.9
55.05508	10.2
57.07064	2.4
58.32751	1.6
65.03951	1.4
67.05189	1.6
67.05511	24.6
69.03435	2.9
69.07063	10.4
69.94221	3.6
69.94627	4.8
70.06593	1.7
71.04982	5.0
75.04485	2.4
79.05493	23.2
81.06596	3.0
81.07059	52.1
83.04973	1.7
83.08607	4.3
84.08160	3.1
85.06555	3.4
85.10168	1.8
86.09711	2.8
91.05480	24.2
93.07045	57.0
95.04970	6.2
95.08612	100.0
97.02891	1.9
97.06541	3.9
97.10155	2.2
99.04445	4.3
103.05459	2.1
103.73486	1.5
105.07039	71.0
106.07368	4.7
107.04967	2.8
107.08600	44.0
109.06555	3.0
109.10162	19.9
111.08093	8.4
113.06002	2.5
117.07040	7.6
118.07797	1.7
118.22891	1.8
119.08586	66.0
121.06506	16.4
121.10140	29.4
122.06828	6.5
123.08075	5.6
123.11712	3.6
129.06969	3.2
131.08574	21.8
133.10147	34.7
135.08102	3.0
135.11676	6.2
137.09662	2.8
143.08578	5.9
145.09062	2.7
145.10127	35.0
146.10886	3.8
147.08023	2.4
147.10518	2.6
147.11691	45.0
149.09610	2.9
149.13257	3.6
151.07468	2.2
156.09288	2.3
157.10098	11.7
158.10861	2.6
159.08095	2.1
159.11708	28.7
160.12500	3.5
161.09691	2.7
161.13281	28.0
163.11180	5.2
168.00529	3.4
171.11653	11.5
173.13292	18.3
175.11192	5.0
175.14877	2.4
181.12309	1.7
181.17751	2.5
185.13286	8.1
187.11238	2.6
187.14795	16.6
189.12833	3.1
189.16467	8.7
193.12276	3.2
195.11922	1.5
199.14832	7.1
201.16394	14.9
202.17128	7.6
207.13876	7.6
209.13298	2.3
213.16399	3.7
217.15990	1.8
219.13702	1.9
227.14325	2.7
227.18001	12.5
241.15869	2.8
245.15430	3.9
255.17772	2.3
255.21075	8.1
257.20966	17.0
265.19510	1.8
283.20581	8.1
286.04712	17.3
293.17142	2.0
301.03690	1.9
301.07034	19.6
301.12030	2.4
301.21234	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2164
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03920	2.6
55.05515	9.7
57.03400	3.1
57.07049	1.6
65.03904	1.9
67.05508	21.8
69.03399	1.8
69.07069	8.2
69.09711	1.3
69.78291	2.2
69.78700	5.0
70.06556	2.2
71.04965	3.1
75.04432	1.5
75.06640	1.3
78.51826	1.5
79.05499	17.5
81.07060	48.3
81.14966	1.2
83.04964	2.4
83.08585	2.7
84.04451	1.5
84.08111	2.4
84.25279	1.4
85.06496	1.3
91.05486	22.7
93.07049	56.9
95.04906	4.7
95.08612	87.4
97.06476	4.8
97.10113	1.8
99.04411	3.7
103.05409	2.2
105.07035	70.6
106.07323	2.9
107.04897	1.5
107.08604	39.2
109.06458	3.6
109.10159	17.8
111.08100	6.7
117.07028	7.0
118.90070	1.2
119.08589	60.8
120.09312	1.5
121.06512	12.2
121.10149	27.6
122.06770	5.6
123.07986	4.3
123.11642	2.8
128.06221	2.0
129.06891	2.3
130.07745	1.5
131.08583	20.6
133.10138	31.9
135.07959	2.9
135.11699	7.8
137.09549	2.8
142.07684	2.2
143.08571	8.0
144.09355	2.3
145.10133	33.7
146.10791	4.0
147.11696	46.9
149.09561	2.0
149.13150	4.0
151.11034	1.6
156.09306	1.9
157.08997	1.2
157.10133	12.7
158.10837	1.9
159.11697	28.6
160.12337	5.1
161.09604	2.7
161.13257	25.9
163.11087	4.5
168.00468	2.1
169.10130	2.0
171.11736	7.4
173.09372	1.3
173.13272	15.6
175.11029	3.8
175.14743	2.2
180.17249	1.9
181.17761	2.4
185.13222	7.4
186.01443	1.5
187.11208	1.6
187.14851	17.0
189.12601	5.1
189.16354	8.7
191.10565	1.5
191.14104	1.8
193.12079	4.4
195.11665	1.6
196.88361	1.3
197.13229	2.8
199.14854	6.2
201.16406	15.8
202.17169	8.8
207.13666	5.9
209.13228	1.6
213.16209	2.5
225.16254	2.9
227.14223	2.8
227.17882	10.9
245.15268	3.3
255.21066	8.2
257.20972	12.2
265.19354	2.7
283.20508	10.1
286.04749	12.5
301.06998	10.6
301.21332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
50.13651	1.2
53.03945	1.9
55.05509	16.3
57.03412	1.2
57.07066	2.5
67.05507	23.7
69.07069	12.1
69.86378	5.5
71.04967	1.8
71.08590	1.4
79.05495	14.0
81.07058	20.2
83.04991	1.9
83.08633	6.1
91.05475	14.5
93.07045	24.7
95.04963	3.5
95.08609	100.0
97.06493	1.4
97.10158	3.8
105.07031	19.2
107.04959	4.6
107.08594	32.4
109.06549	2.3
109.10162	28.9
111.04449	6.2
111.11737	1.6
117.07001	4.9
119.08577	30.4
121.06530	1.4
121.09322	1.9
121.10152	23.6
123.08071	2.6
123.11729	9.4
125.06004	8.1
129.06969	2.8
131.08559	8.9
133.06538	1.9
133.10130	20.4
135.08055	2.5
135.11703	18.2
137.05977	4.7
137.09665	7.9
142.07777	2.4
143.08568	6.8
144.09329	1.2
145.10144	15.6
147.07959	1.6
147.11681	11.4
149.13251	7.7
151.07509	2.6
155.08571	1.6
156.09276	1.9
157.10115	8.5
158.10942	1.8
159.11703	15.0
161.09679	6.6
161.13220	9.0
163.07521	1.3
163.11177	2.4
163.14816	3.4
165.09120	3.0
169.10133	5.0
171.11690	8.9
173.09570	2.6
173.13286	6.9
175.14848	2.3
177.12798	1.6
179.10670	7.1
183.11600	2.0
185.09616	1.2
185.13264	7.8
187.11229	6.8
187.14757	5.6
191.10712	3.2
191.14253	6.5
197.13211	1.7
199.11118	2.6
199.14864	6.3
201.12816	2.6
201.16414	4.7
203.10768	2.2
203.18025	7.9
205.12195	6.4
207.13817	2.3
209.13341	1.6
213.12686	2.6
213.16437	3.0
217.12199	5.8
219.13824	4.1
227.14293	2.1
231.13759	10.3
233.15402	2.0
239.18008	3.5
241.19496	4.3
245.15479	6.5
255.21153	6.4
259.16904	1.9
265.19550	3.2
273.21921	1.2
283.20505	10.3
286.04593	1.2
301.07135	3.4
301.16370	2.9
301.21616	89.7
306.48019	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
55.05504	8.3
57.03435	1.3
57.07086	1.4
65.03942	1.7
67.05506	20.7
69.07065	8.5
70.10290	3.2
71.04979	2.7
75.04472	1.9
77.03909	1.2
79.05495	14.1
81.03413	1.5
81.07058	41.6
83.04970	1.6
83.08605	2.2
85.06530	2.5
91.05474	17.2
93.07045	46.8
95.04960	3.7
95.08609	84.4
97.06525	3.0
97.10165	4.0
99.04446	2.5
105.07034	57.9
105.49537	1.2
107.08598	35.3
108.09358	2.3
109.06487	1.8
109.10152	16.4
111.08100	5.0
113.06046	2.9
117.07026	6.7
119.08586	54.5
121.09324	2.1
121.10152	26.4
121.11025	1.3
123.08049	2.3
123.11691	3.0
125.09629	1.9
129.06995	3.0
130.07785	1.6
131.08582	17.9
132.09332	1.2
133.10132	29.8
134.10875	1.1
135.08040	2.2
135.11671	4.4
137.09622	2.3
141.09128	1.0
143.08575	5.8
144.09341	1.4
145.10130	32.9
146.10936	3.4
147.08125	1.4
147.11687	46.5
149.09657	1.4
149.13261	2.0
156.09367	1.3
157.10141	8.9
158.10759	1.3
159.11687	21.1
160.12457	5.8
161.09616	1.4
161.13272	25.5
163.11226	2.3
165.12746	1.4
171.11681	7.3
173.13295	13.0
175.11179	3.6
175.14792	2.2
177.95090	1.4
183.11723	1.2
185.13298	5.5
186.13979	1.0
187.11221	2.1
187.14801	16.5
188.15436	1.3
189.12764	3.1
189.16389	7.5
193.12198	2.8
197.13274	1.3
199.14857	5.3
201.16382	14.8
202.17120	8.0
203.14229	1.7
203.92517	1.1
207.13831	5.9
213.16408	3.8
217.12561	1.6
219.13724	1.7
223.14934	1.3
225.16377	1.8
227.14397	1.6
227.17944	13.0
245.15393	2.8
255.21043	6.9
259.16971	2.1
265.19693	2.2
271.19141	1.2
283.20630	8.1
301.21625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03947	1.0
53.19590	0.5
55.01863	0.6
55.05513	11.1
57.03428	1.2
57.07075	4.7
62.06092	9.2
63.06427	0.9
65.03944	1.0
67.05508	18.3
69.03418	0.9
69.07072	7.9
69.64894	2.3
69.65302	0.8
71.05003	0.6
71.08646	1.1
79.05495	10.3
81.03397	0.7
81.07063	18.1
83.04967	1.1
83.08629	3.8
85.10203	0.8
91.05485	12.7
93.07047	24.8
95.04978	2.4
95.08612	100.0
97.06530	1.4
97.10178	4.3
105.07040	20.1
107.04944	4.2
107.08599	28.1
109.06563	2.8
109.10162	19.4
111.04446	5.1
111.11757	0.7
117.07032	3.0
117.65044	0.6
119.08588	21.5
121.06522	2.3
121.10158	20.3
121.11034	1.0
123.08080	1.3
123.11714	11.9
125.06007	11.0
125.09647	0.9
128.06241	1.0
129.07028	2.4
131.08560	4.8
133.06459	0.9
133.10141	19.1
135.08089	0.8
135.11710	15.4
137.05986	5.1
137.09630	0.9
137.13261	1.1
139.07584	1.3
141.07106	0.8
142.07799	1.3
142.31984	0.6
143.08554	5.0
144.09337	1.1
145.10129	10.0
147.08025	1.1
147.11699	8.6
149.06068	1.0
149.13277	6.1
151.07590	1.7
151.11179	1.2
155.08514	1.4
156.09360	1.7
157.10141	6.9
159.11719	10.9
161.09627	6.2
161.13254	7.4
163.07562	0.9
163.11139	1.4
163.14807	1.7
165.09134	2.0
167.10565	0.7
169.10141	2.9
170.10904	0.8
171.08141	1.2
171.11662	5.8
173.09692	1.8
173.13309	4.5
175.11179	0.8
175.14761	2.7
177.09096	0.8
177.12772	0.7
179.10690	8.4
183.11682	2.0
185.09645	1.4
185.13306	6.8
187.11200	5.0
187.14819	3.5
189.16386	1.3
191.10715	2.4
191.17918	0.7
193.12247	1.0
197.13251	1.6
199.11198	2.5
199.14836	5.4
201.12796	2.0
201.16440	4.3
203.10692	1.8
203.17955	6.9
205.12209	6.2
207.13792	1.7
209.13316	0.8
211.14835	0.8
213.12711	2.9
213.16345	1.5
217.12228	4.4
219.13840	2.8
223.14928	0.9
227.14355	2.2
227.98392	0.6
231.13837	8.5
233.15378	1.4
239.17998	2.3
241.15909	1.3
241.19521	5.1
245.15404	5.1
255.21115	6.7
259.17041	1.4
265.19537	1.5
283.20615	10.8
301.07050	1.6
301.16229	2.1
301.21634	61.6
301.28790	3.0
302.21844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
50.38039	0.6
53.03946	1.3
55.05517	11.7
57.03448	0.7
57.07074	2.0
58.35960	0.6
65.03947	1.4
67.05508	17.8
67.20029	0.6
69.03422	0.9
69.07071	8.6
69.26942	5.0
70.93549	0.7
79.05501	10.5
81.07066	15.1
83.04980	1.1
83.08620	4.6
89.52552	0.6
89.89136	0.6
91.05486	14.8
93.07049	25.5
95.04983	1.8
95.08612	100.0
96.08974	0.7
97.10169	2.7
99.04487	0.8
103.05469	0.7
105.07032	18.0
105.07694	1.2
106.32272	0.6
107.04988	4.3
107.08604	28.8
109.06531	2.2
109.10162	18.9
109.10925	0.6
111.04454	4.6
117.07022	2.7
119.04955	0.5
119.06059	0.7
119.08587	22.2
120.66440	0.5
121.06510	1.4
121.10149	20.9
122.12456	0.6
123.08067	1.5
123.11720	11.1
125.05994	10.8
129.07013	2.3
131.08575	6.2
133.06433	0.7
133.10143	20.4
135.08080	0.8
135.11688	13.1
137.05992	4.8
137.13261	1.1
139.07500	0.9
140.46558	0.6
142.07779	1.2
143.08560	6.3
144.09363	1.1
145.06493	0.6
145.10123	7.6
147.08073	1.1
147.11694	10.0
149.13284	6.3
151.07523	1.1
151.11209	0.9
155.08640	0.9
156.09381	0.8
157.10164	5.7
159.11699	10.5
161.09615	5.5
161.13260	7.6
163.07503	0.7
163.14835	2.3
165.09134	1.2
169.10112	3.3
170.10899	1.0
171.08118	0.7
171.11674	6.5
173.09628	1.4
173.13263	5.8
175.07599	0.6
175.11255	1.1
175.14848	2.3
179.10684	10.0
183.11693	0.7
185.09642	1.4
185.13269	5.5
187.11220	4.8
187.14832	2.9
189.09128	1.2
189.12794	1.5
191.10669	2.7
193.12230	2.0
195.11624	0.7
197.13313	1.0
197.23763	0.6
199.11218	1.7
199.14816	4.9
201.12750	2.1
201.16383	4.0
203.10640	1.6
203.17978	6.2
205.12241	5.9
207.13837	1.8
209.13123	0.6
213.12804	2.6
213.16365	1.3
215.17961	0.7
217.12196	3.8
219.13844	2.6
223.14708	0.8
227.14384	3.1
231.13802	8.7
233.15427	1.6
239.17969	3.0
241.15845	1.7
241.19516	3.8
245.15411	4.8
255.21094	6.3
257.22888	0.8
259.16992	1.7
265.19492	1.7
283.20581	7.7
293.23865	0.6
301.21619	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
51.39721	1.0
55.01888	2.1
55.05511	8.2
57.03420	2.4
57.07066	2.3
57.23542	0.9
62.23921	0.9
63.67332	0.9
67.05508	16.4
69.03424	3.0
69.07070	13.5
69.81107	4.7
71.04987	1.7
73.68932	0.9
79.05489	6.3
81.07062	12.2
83.04978	2.5
83.08624	5.2
83.73818	1.1
85.06534	2.0
91.05478	5.9
93.07042	9.9
95.04958	11.6
95.08605	15.4
97.06507	3.6
97.10191	2.8
98.21442	1.3
105.07030	9.7
107.04995	1.4
107.08590	13.1
109.06506	1.4
109.10146	11.7
111.04488	1.6
111.08073	2.8
111.88849	0.9
117.07021	3.3
119.08590	20.8
121.06504	1.5
121.10146	11.8
123.08080	1.4
123.11718	8.5
125.09669	1.2
125.13256	1.1
129.07016	2.2
131.08560	4.5
133.10136	13.8
135.08061	4.5
135.11679	8.5
137.06058	1.1
137.09621	2.1
139.11237	1.1
143.08559	4.2
144.09355	1.5
145.10133	13.0
146.10945	1.0
147.08055	1.0
147.11685	11.2
149.09622	4.4
149.13266	2.4
151.11203	1.1
153.12691	1.1
155.08542	2.3
156.09377	1.3
157.10117	8.1
158.10840	1.4
159.11696	11.0
161.09625	4.0
161.13220	6.5
163.11182	7.9
169.10196	1.5
170.10909	2.1
171.11658	9.6
173.09639	2.7
173.13254	9.2
175.11192	6.8
175.14832	2.8
177.12732	6.6
181.12248	1.8
183.11705	2.3
185.13232	8.0
187.11157	2.4
187.14775	8.0
189.09158	1.1
189.12729	2.9
189.16426	5.6
191.10669	6.9
191.14369	1.3
193.12337	1.0
197.13304	2.7
199.11259	1.3
199.14796	7.5
201.12746	1.9
201.16341	5.0
203.14394	2.6
205.12231	2.1
211.14900	1.9
213.12781	2.6
213.16406	3.2
215.14340	2.0
217.12308	1.4
217.15819	1.3
218.69997	1.0
223.14777	1.8
225.16486	1.3
227.14413	2.4
227.17862	1.8
229.15904	1.5
231.13843	4.4
239.18051	1.8
241.15840	3.3
241.19519	6.5
245.15508	2.3
255.21094	8.8
259.16861	2.1
265.19589	2.4
273.22131	4.1
283.20575	13.2
286.04660	1.4
301.07214	2.9
301.16687	8.8
301.21637	100.0
302.22040	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	301.2164
Annotation	13-cis-Retinoic acid
Peak:m/z	Relative Intensity
53.03950	2.8
55.05523	9.7
56.71996	1.7
57.07086	9.1
61.55975	1.8
67.05215	2.0
67.05512	17.0
69.03432	4.2
69.07074	12.9
70.24391	7.5
71.04997	2.4
79.05505	15.2
80.52602	1.6
81.07073	18.9
83.04974	3.2
83.08598	3.2
85.06517	2.2
91.05486	22.9
93.07063	27.4
95.04962	13.6
95.08627	21.9
97.06557	8.5
97.10173	1.6
99.97293	1.7
103.05452	3.2
105.07042	40.2
107.04942	2.6
107.08600	39.7
109.06523	31.6
109.10175	23.5
111.08070	3.0
115.05437	2.6
117.07021	13.0
119.08595	50.7
121.06483	6.6
121.10168	23.0
123.08060	4.2
123.11684	4.1
128.06236	3.6
129.07004	6.2
130.07811	3.5
131.08582	53.3
133.10141	36.0
135.08055	23.1
135.11667	7.0
137.09561	2.4
142.07788	3.9
143.08591	16.9
144.09352	6.9
145.10139	43.4
146.07323	8.5
147.08034	3.1
147.11679	14.2
149.09695	3.0
149.13251	8.2
156.09329	3.3
157.10158	14.5
158.10928	15.0
159.08119	3.8
159.11710	14.0
161.09631	69.4
161.13266	4.0
167.08624	3.3
167.91711	1.8
169.10124	2.8
171.11685	9.0
173.13280	100.0
175.11226	3.0
175.14841	12.8
179.08427	3.9
183.11682	5.1
185.13264	7.2
187.14880	4.5
189.12802	2.9
190.15512	1.8
191.14326	28.4
194.10889	3.9
195.11711	4.1
197.13289	4.0
199.14807	7.7
201.12727	4.2
201.16368	4.8
202.00571	2.0
203.14273	2.1
208.12437	2.7
209.13260	12.0
211.14827	2.1
213.12791	3.7
213.16447	3.0
223.14836	8.0
225.16403	3.7
227.14334	6.4
265.19562	9.7
283.20563	10.2
301.21646	15.4
302.30530	5.4
303.39105	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	301.1647
Annotation	Strobilol C
Peak:m/z	Relative Intensity
53.03933	4.8
55.01873	11.4
55.05510	11.5
57.03165	1.5
57.03440	23.7
61.98880	1.0
65.03930	3.1
67.05508	48.9
69.03428	1.8
69.07072	10.4
71.05001	5.0
77.89202	1.1
79.05496	48.9
81.03429	8.2
81.06596	1.7
81.07057	31.8
83.04985	18.7
83.08608	4.7
85.02894	3.7
85.06536	4.7
91.05489	23.5
93.03407	1.6
93.06495	2.3
93.07050	42.1
93.07635	2.0
95.04980	12.4
95.08611	19.5
97.02859	1.2
97.06538	14.9
97.10159	2.5
98.21527	2.5
99.04461	4.6
101.02368	2.4
105.04491	1.3
105.07026	13.4
107.04960	33.0
107.07893	1.2
107.08604	22.4
109.06521	3.8
109.10167	10.0
111.04449	27.0
111.08082	6.7
115.05430	1.4
117.07027	12.3
119.08580	15.7
121.06517	5.4
121.10148	41.0
123.04408	1.4
123.08066	4.6
125.05954	3.6
126.63388	1.1
129.06987	4.7
130.07791	2.3
131.04950	3.5
131.08577	12.9
133.10127	3.0
135.08034	2.9
135.10704	2.1
135.11697	33.7
137.09576	1.0
139.11197	1.3
143.08562	2.1
145.06488	6.5
145.10129	38.8
147.08038	4.2
147.11627	1.5
149.09621	7.4
153.12752	13.6
155.08569	8.5
163.11191	52.6
173.09631	25.8
173.11777	1.3
181.12242	24.5
191.10669	33.3
209.11716	16.3
227.12782	17.0
240.60820	1.1
245.13919	3.9
257.13699	1.7
262.73666	1.1
265.14386	3.1
283.15341	11.5
286.04584	1.1
301.07233	2.4
301.16467	100.0
301.21774	2.9
321.62018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	13-cis-Retinoic acid
Peak:m/z	Relative Intensity
55.05522	10.5
57.07069	6.5
59.04999	3.2
67.05504	17.1
69.03421	4.0
69.07058	10.3
71.04989	6.6
71.28580	3.5
78.21194	2.2
79.05489	10.7
81.07062	23.2
81.46413	1.9
81.51897	2.1
83.04998	2.9
83.08619	5.5
85.06532	3.0
91.05486	24.2
93.07039	23.0
95.04969	10.7
95.08620	22.3
97.06539	8.8
103.05402	2.2
105.07030	41.2
107.08598	39.3
109.06522	39.4
109.10155	25.4
111.08075	4.9
117.07048	16.9
119.08583	53.7
119.09374	4.2
121.06514	8.1
121.10149	26.3
123.08105	5.2
123.11721	4.6
128.06262	3.2
129.07010	6.7
130.07806	5.0
131.08569	47.8
133.10129	34.2
135.08063	21.7
135.11699	7.9
143.08562	20.1
144.09357	7.7
145.10121	46.8
146.07285	7.5
147.08051	4.0
147.11707	12.8
149.09590	6.1
149.13257	8.3
155.08568	2.8
156.09393	3.3
157.10165	12.6
158.10913	15.9
159.08037	3.5
159.11687	16.0
161.09628	56.3
161.13289	4.4
163.11159	6.0
169.10158	4.7
171.11682	10.0
173.09653	2.6
173.13271	100.0
175.11258	2.4
175.14830	11.2
181.10158	4.0
183.11710	5.4
185.13248	7.5
187.14868	4.9
191.14290	23.4
194.11076	3.5
195.11694	3.2
197.13168	3.3
199.14847	7.7
201.16396	4.0
209.13251	9.7
213.16362	4.8
223.14894	5.6
225.16443	3.3
227.14391	4.6
243.17958	2.0
265.19562	5.5
282.23505	2.6
283.20627	12.5
301.21622	14.9
302.30676	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	301.1645
Annotation	Strobilol C
Peak:m/z	Relative Intensity
53.03950	5.0
55.01878	9.4
55.05523	19.1
56.59743	3.3
57.03444	23.9
67.05183	5.5
67.05511	62.4
69.07061	16.8
70.20766	15.6
71.04987	8.8
79.05497	50.5
81.03412	12.7
81.07060	45.9
83.04999	25.9
83.08623	6.2
85.06541	4.2
86.09719	4.9
86.17493	3.9
91.05496	32.7
93.07042	46.2
95.04971	21.2
95.08602	31.9
97.06542	17.5
97.25600	4.3
105.07024	19.9
107.04974	33.5
107.08612	31.8
109.06534	7.2
109.10147	16.2
111.04437	28.3
111.08079	8.0
117.06998	18.6
119.08595	25.4
121.06515	7.6
121.10157	46.8
123.08044	4.3
125.05966	5.4
125.09635	5.1
129.07019	6.3
131.08556	16.3
133.10130	9.1
135.08073	8.5
135.11702	41.9
145.06509	9.0
145.10115	43.8
147.08052	8.3
147.11690	7.4
149.09637	8.4
149.54941	3.6
153.12772	14.0
155.08553	10.6
163.11197	58.5
173.09631	30.5
181.12219	25.0
184.07364	3.9
185.13347	4.5
191.10689	32.4
209.11774	16.2
227.12807	21.6
258.05432	4.7
265.14301	4.6
283.15430	14.4
286.04663	5.5
301.07053	16.6
301.16467	100.0
301.21686	9.8
301.29153	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	301.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	5.8
59.47588	0.4
59.86697	0.4
63.64094	0.4
69.48704	0.3
70.31921	1.0
71.95265	2.0
74.28624	0.4
74.49967	0.3
98.97588	100.0
99.54681	0.3
99.97919	4.0
101.67792	0.4
102.96861	0.9
112.06700	0.4
116.98626	35.2
117.98977	1.7
120.97902	0.4
134.99655	7.0
140.00171	0.6
157.08275	0.5
158.01231	0.4
159.07899	0.5
165.96463	0.4
174.97643	0.8
175.09285	0.6
194.91180	0.7
212.92305	0.9
216.98766	0.5
219.02052	0.9
221.01738	0.5
234.99902	0.7
240.98691	3.0
241.98880	1.7
254.93358	2.4
254.95813	0.4
258.96753	1.0
258.99759	32.3
259.99933	21.2
260.99692	1.0
261.03226	0.8
272.94400	2.8
276.97879	1.1
277.00818	34.4
277.94757	0.7
277.97641	1.4
278.00970	22.0
278.96747	1.1
279.00735	1.1
282.01367	0.5
282.99826	2.6
290.95682	0.5
295.95914	1.9
296.97867	0.9
300.02374	1.2
300.97574	2.6
301.01196	3.0
301.09595	3.2
301.20291	0.4
318.98676	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	301.0708
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.22256	0.1
50.42541	0.1
52.51818	0.1
67.05502	0.2
67.20419	0.2
70.03151	0.3
70.03557	0.5
73.35157	0.1
77.45437	0.1
81.07043	0.4
83.08619	0.2
90.60094	0.2
91.05470	0.3
93.07043	0.7
95.08598	0.9
105.07042	0.8
107.08583	0.4
109.10160	0.3
119.08600	0.9
121.10116	0.4
131.08553	0.3
133.10133	0.5
145.10182	0.3
147.11693	0.3
149.06033	0.2
153.01822	1.1
159.11745	0.3
161.13249	0.3
163.69408	0.2
173.13257	0.2
188.85765	0.2
229.04977	1.8
241.04875	0.3
257.04507	0.6
257.21002	0.3
258.05252	35.2
269.04446	0.3
283.20654	0.2
286.04727	48.2
287.05045	0.4
301.07068	100.0
301.21097	1.0
302.07382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2324
Annotation	Azitine
Peak:m/z	Relative Intensity
51.02395	0.3
53.03937	1.0
55.05522	1.4
56.05044	0.5
56.96570	0.4
57.07077	0.7
58.06607	0.3
67.05494	1.4
68.05029	0.4
69.07064	1.0
70.06590	0.8
71.05003	1.4
71.05336	0.2
71.51856	0.4
72.08145	0.4
77.03944	0.5
79.05496	2.3
80.05056	0.3
81.03445	0.3
81.07066	2.4
82.07368	0.3
83.08627	0.7
83.75614	0.2
84.04509	0.3
84.08141	0.8
86.93454	0.2
91.05484	5.2
93.07053	9.5
94.06599	0.4
95.04974	1.3
95.08612	1.9
96.08133	0.4
98.09699	0.7
98.97594	1.9
103.05485	5.5
105.04520	0.5
105.07038	22.5
106.95713	0.3
107.04939	1.3
107.08611	1.7
108.05763	0.5
108.08129	1.4
109.06542	0.7
109.08922	0.2
109.10159	0.6
110.09715	1.6
111.11732	0.3
113.09650	0.4
116.98653	0.5
117.07028	0.7
119.04926	0.3
119.08599	1.0
120.08122	0.6
121.06514	53.0
121.10143	0.8
122.09682	2.7
123.08127	0.3
123.11732	0.6
124.11256	0.9
126.07471	0.3
129.07007	0.5
129.10202	0.3
131.08572	0.4
133.06502	0.4
133.10158	0.4
134.09641	0.3
135.08089	0.3
136.06149	0.4
136.07561	0.3
136.11229	3.1
138.12791	0.3
140.09123	0.7
143.08583	0.5
145.06496	0.3
145.10059	0.4
149.09557	0.7
150.12787	1.7
151.07541	0.4
152.14392	0.6
157.01730	0.5
157.10143	0.5
159.08060	0.6
159.11707	0.5
164.14355	1.9
171.11633	0.3
174.02434	0.3
178.15929	0.7
180.17488	15.2
184.11185	1.3
186.12791	0.3
192.17513	0.7
195.10052	0.3
195.17444	0.6
200.10684	0.7
201.00612	0.4
201.14542	0.6
202.12285	1.4
202.15927	0.5
212.14299	0.8
214.15901	0.5
218.15462	0.4
219.01787	0.3
226.15869	1.9
228.13846	0.4
228.17493	0.5
229.14629	0.3
230.15359	0.6
243.01781	0.3
256.20615	42.0
257.20944	0.3
258.22116	0.5
270.18661	0.5
300.23218	100.0
301.23709	0.5
303.03964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59186	0.5
50.62751	0.5
53.03941	1.4
55.01867	1.5
55.05515	7.6
57.03444	3.2
57.07079	2.3
59.04993	0.7
62.12660	0.5
65.03937	1.3
67.05507	43.8
69.03425	1.4
69.07076	5.4
70.06591	1.3
71.04992	3.0
71.09936	1.2
74.29700	0.5
79.05496	18.5
80.06271	0.7
81.03404	1.5
81.07060	28.8
83.04983	2.2
83.08638	1.7
84.08134	0.7
85.06542	1.1
86.09704	1.0
89.06074	0.9
91.05480	12.1
93.07047	18.6
95.04974	5.8
95.08611	55.4
97.06503	1.0
97.10163	0.5
103.05489	1.8
105.07034	69.7
106.07343	0.6
107.08603	8.4
108.05737	0.5
109.06530	4.0
109.10162	29.8
111.08053	0.7
117.07037	1.7
118.07829	0.7
119.08587	16.9
119.82078	0.5
120.08121	3.9
121.06514	1.4
121.10150	3.5
121.24567	0.5
122.09678	17.5
123.08066	4.6
123.11682	1.0
125.09616	0.8
131.08574	1.3
133.10141	3.7
135.11705	3.7
136.06187	0.8
137.09628	7.5
137.13281	0.8
138.09904	0.6
140.09105	1.3
143.08575	0.8
147.08145	0.6
149.13275	1.7
151.07549	0.6
151.14801	7.7
158.10576	0.7
159.08104	1.1
159.11743	0.7
161.13249	4.2
170.49562	0.5
171.11833	0.6
173.13097	0.5
179.14288	5.1
182.92369	0.5
202.15929	1.7
206.80032	0.5
228.13971	0.6
228.36012	0.5
230.15482	3.6
269.23697	0.5
300.23230	100.0
301.06964	0.6
301.23538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05513	0.5
56.05012	0.3
59.02558	0.3
67.05494	0.7
69.07076	0.5
70.04546	1.2
70.06598	0.3
72.44675	0.3
79.05485	1.9
81.07052	1.6
81.66959	0.3
84.08144	0.3
91.05495	1.1
93.07050	1.0
95.04940	0.4
95.08633	1.3
103.05474	1.1
105.07034	44.3
107.08575	0.5
108.08109	0.5
109.10165	0.4
110.09680	0.5
117.06984	0.3
119.08576	0.4
120.08117	1.1
121.06477	0.5
121.08949	0.4
122.09657	1.4
123.10484	0.4
124.87054	0.3
128.00781	0.6
131.08543	0.5
133.10133	0.4
134.09608	0.5
135.10411	0.4
136.06198	0.5
136.11226	6.2
137.13290	0.9
141.98663	0.4
149.12039	0.3
150.12776	1.7
152.14301	0.5
159.11623	0.3
164.14392	1.5
165.15169	0.8
184.11241	3.2
186.12839	0.7
199.13519	0.3
200.14355	0.6
202.12300	3.6
202.15915	1.5
212.14392	1.7
213.15109	0.4
214.15976	0.7
226.15921	4.8
227.16783	0.7
228.17422	0.8
254.19070	1.2
256.20609	100.0
257.20950	0.7
258.22141	0.9
300.03003	1.1
300.23227	82.6
301.23578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	10.5
61.98740	5.0
69.03422	6.2
69.95253	8.9
69.95674	23.0
70.06605	45.8
72.08157	5.6
74.06116	6.0
79.16952	5.0
84.04513	8.1
84.08150	20.8
86.09702	32.1
98.97598	31.2
106.70337	5.7
110.97559	12.0
120.08128	7.6
121.06512	11.2
124.03973	26.0
128.98688	6.9
129.10289	6.2
187.10779	7.7
189.64246	5.5
219.01839	28.3
237.02925	32.0
300.08481	100.0
318.08496	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	300.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
56.05032	1.3
57.03463	0.3
57.05817	0.3
58.06581	0.7
60.04528	1.6
60.05647	0.3
67.05510	1.0
68.05036	0.3
69.03426	1.0
69.07076	3.2
70.02975	0.4
70.06593	100.0
71.05005	0.4
71.06913	0.3
72.08155	10.5
74.06081	0.8
74.09727	2.5
75.22575	0.3
81.03432	0.4
83.06120	0.6
84.04501	3.7
84.08146	11.1
85.02907	2.3
85.08491	0.7
86.09707	33.7
87.05588	0.8
88.04017	0.4
91.05497	0.6
93.07048	0.3
95.04996	0.4
96.04489	0.4
96.08144	0.4
97.02901	0.5
97.07646	0.4
98.06074	1.1
98.09692	2.8
102.05554	1.2
110.06075	1.2
110.07169	2.3
112.08784	0.8
114.05616	0.3
114.09190	1.1
115.08733	0.8
116.07095	12.2
119.05049	0.4
120.04485	3.2
120.08128	0.9
121.06536	0.5
122.09645	0.4
124.04003	0.3
126.05571	0.6
129.10243	5.1
130.05032	0.7
130.06512	0.4
132.04448	0.7
132.10201	1.7
134.05998	0.4
136.06181	1.5
136.07628	0.8
138.05507	2.7
140.14333	1.6
141.10217	14.5
143.11679	0.4
147.04463	0.8
147.11356	0.4
156.07693	0.3
157.07660	0.8
157.13377	3.5
158.15425	0.4
159.11293	5.7
159.12494	0.5
169.09731	16.2
170.06012	0.4
173.09377	0.5
174.05605	0.3
175.12015	0.3
180.06555	0.3
183.11346	0.4
183.15001	0.7
185.12881	1.7
187.10757	3.5
193.03259	0.3
194.11562	0.3
198.05568	0.6
199.18173	0.3
201.08905	0.8
203.13954	0.9
226.15588	0.5
227.17630	0.6
229.15474	23.3
229.27768	0.3
242.18834	0.3
245.11328	2.9
253.16650	0.5
264.08862	0.3
300.10135	0.7
300.14352	0.6
300.19128	10.0
307.70389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.1
56.96560	20.3
69.07067	6.4
69.10867	5.3
70.06595	100.0
71.50935	7.9
72.08152	13.8
84.04503	11.1
84.08146	35.6
85.02881	7.4
86.09689	27.4
97.02831	5.6
98.09718	8.3
98.97581	26.4
105.01775	5.6
110.07144	9.7
110.97569	19.2
116.07113	6.8
116.98594	10.8
120.08094	8.3
124.99115	7.6
126.12794	7.2
128.98575	11.3
129.10245	9.5
140.98595	6.9
141.10194	10.3
143.00198	11.0
152.98621	6.0
158.99646	9.1
161.01273	7.8
168.06564	6.9
169.09758	12.8
170.99701	7.5
195.89946	5.5
219.01784	17.9
229.15482	22.7
237.02832	18.2
300.08365	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	300.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89906	3.4
54.20790	3.3
54.38752	3.5
56.05987	3.6
56.96537	4.0
70.06574	4.0
70.72903	5.7
70.73233	5.5
80.31869	4.1
98.20910	4.8
98.97607	22.6
110.97557	4.0
112.89525	4.0
121.06519	30.5
124.03915	6.2
128.98630	3.9
132.39159	4.1
139.91463	8.8
161.98018	3.9
189.00665	5.2
219.01799	7.6
237.02818	7.3
258.99780	4.0
287.64465	3.9
300.08420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
54.01659	0.2
55.01868	0.3
56.05016	0.2
56.15189	0.2
56.96564	1.0
57.03431	0.3
60.04499	0.3
66.32441	0.2
69.03429	1.0
70.06599	2.6
70.16331	0.6
72.08158	0.8
75.58459	0.2
78.03458	1.7
80.05019	3.2
83.06094	0.3
84.04476	1.1
84.08142	2.0
84.96048	0.3
85.02920	1.9
86.09699	2.2
87.00874	0.3
89.59265	0.2
91.05521	0.2
95.01325	0.6
96.04507	1.6
96.05027	0.3
97.02895	0.6
98.97589	1.9
106.02922	5.7
110.07173	0.9
110.97572	0.6
116.98624	0.5
120.08110	0.3
121.02892	0.2
121.06503	1.0
124.03958	100.0
125.04283	0.3
128.98604	0.6
129.10242	0.7
136.06174	0.7
141.01852	1.0
147.04454	0.6
152.05688	0.2
154.54277	0.2
158.99696	0.4
166.05051	0.3
166.08589	0.2
178.04987	0.8
180.06560	1.7
182.03270	0.4
187.10854	0.4
196.06056	7.3
197.12834	0.3
198.04298	0.3
219.01778	1.1
237.02850	1.1
238.07068	1.4
249.54852	0.3
254.06543	2.1
256.08087	0.2
264.05017	0.3
268.04288	0.3
278.10907	0.4
279.07559	0.4
282.06137	2.0
300.07147	30.9
301.07538	0.3
318.08569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56197	0.8
53.03940	1.5
55.01874	1.7
55.05516	7.5
57.03439	2.5
57.07070	2.1
60.68876	0.9
65.03938	1.1
66.71140	0.9
67.05515	13.8
69.03445	3.7
69.07072	15.3
70.06576	2.1
70.52154	2.9
71.04991	7.3
79.05505	12.8
81.03444	1.5
81.07066	27.6
83.04988	11.5
83.08617	5.7
84.08157	1.9
85.06551	41.6
87.04477	2.1
88.26299	0.9
91.05493	10.4
93.07056	33.9
95.04965	3.5
95.08617	38.6
97.06539	8.0
97.10180	3.9
99.08108	3.4
101.06044	0.9
102.88857	0.8
105.07030	18.2
106.79888	1.1
107.08612	18.3
109.06529	2.1
109.10165	22.4
111.08094	7.9
111.11671	1.2
113.06026	1.3
113.09688	2.3
117.07026	1.5
119.04924	1.1
119.08591	18.6
119.09383	1.6
121.02831	1.2
121.06530	3.9
121.10162	19.4
122.06886	2.8
123.07198	2.4
123.08089	4.7
123.11716	5.3
124.07584	1.1
125.09648	4.0
126.01067	1.2
127.01463	1.4
127.07564	22.1
127.11183	2.0
128.00798	2.9
128.06174	1.1
129.01199	1.7
129.07014	1.6
129.09109	2.7
129.10167	0.9
130.02412	1.5
131.08577	6.4
133.06442	1.4
133.10147	12.7
135.08061	1.5
135.11699	6.1
137.09630	9.1
137.13220	1.7
139.11192	22.1
141.09119	1.9
143.08578	3.7
145.10139	11.2
147.04333	1.1
147.11711	9.8
149.06009	4.4
149.09636	3.2
149.13275	4.3
155.10709	1.3
157.10123	5.5
157.12262	1.7
159.08119	1.1
159.11746	5.7
160.94174	1.0
161.09560	1.6
161.13269	5.1
163.11214	3.1
163.14841	3.6
164.07098	1.6
167.10887	1.2
169.10199	1.2
171.11705	4.3
173.13266	3.8
175.14850	7.5
177.14743	1.7
177.16408	2.0
177.21912	0.9
178.15048	2.3
183.11722	1.1
185.13348	4.6
187.14833	2.4
189.09212	1.1
189.12843	1.8
189.16408	5.8
189.38728	0.9
193.15892	2.8
199.14854	2.2
201.16342	4.8
219.17465	1.5
227.17900	5.1
241.15822	1.0
245.19009	4.5
253.19415	1.2
263.20114	3.5
266.13480	1.0
281.21146	100.0
299.03424	6.9
299.13589	3.5
299.16931	1.5
299.20105	10.7
300.03085	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
50.86698	1.0
55.01872	1.3
55.05513	9.1
55.79877	1.0
57.03455	1.2
57.07067	3.5
62.34732	1.1
64.62717	1.0
65.03928	1.3
67.05508	12.7
69.03437	1.7
69.07079	7.7
70.06595	2.2
70.68771	3.3
71.08632	1.7
71.71095	1.0
77.98334	1.1
79.05502	10.2
81.07064	20.8
83.04974	2.5
83.08625	4.5
84.08132	1.9
90.96391	1.2
91.05487	19.7
93.07049	18.5
95.04970	1.8
95.08611	38.0
95.56395	1.2
97.02921	1.1
97.10196	1.1
103.05436	1.6
105.07035	42.5
107.04963	2.7
107.08599	21.9
109.06506	3.0
109.10158	10.0
111.04453	12.1
114.83407	1.1
115.05486	1.5
117.07034	9.3
119.08585	100.0
121.06512	2.8
121.10153	13.9
123.08102	2.7
123.11708	3.5
124.21537	1.1
125.05997	2.9
128.06186	3.0
129.07010	3.1
130.07782	1.4
131.08582	14.4
133.06477	1.1
133.10138	52.8
135.08054	2.2
135.11699	4.4
136.06226	1.5
141.06978	2.5
142.07735	1.4
143.08562	10.0
144.09401	2.3
145.06494	1.4
145.10124	34.9
146.10861	1.2
147.11697	19.9
149.05974	1.8
149.09625	1.5
149.13179	1.8
151.07552	2.7
153.09093	1.3
155.07382	1.4
155.08546	7.3
156.09319	3.2
157.10124	14.8
158.10941	2.1
159.08069	3.8
159.11708	24.5
160.12422	5.9
161.09566	2.6
161.13268	21.4
164.25015	1.3
165.09096	2.1
168.09329	2.4
169.10139	11.6
170.10893	2.9
171.11713	13.3
173.09648	3.3
173.13290	12.2
175.11209	1.6
179.10696	1.9
181.10118	1.4
182.10953	2.5
183.08154	1.8
183.11720	15.9
184.12453	2.3
185.09639	1.7
185.13336	7.7
187.11212	4.1
187.14868	6.7
188.15495	1.4
189.09148	1.6
189.16423	5.3
191.10661	3.0
195.11736	4.2
196.12502	1.8
197.09647	2.1
197.13278	13.4
199.11180	3.9
199.14832	7.4
201.12733	1.6
201.16435	8.2
205.12170	2.2
207.09372	1.2
207.11674	1.3
209.13249	1.9
211.11180	3.9
211.14888	8.0
213.12750	2.1
213.16409	2.8
215.10754	2.0
217.12254	2.4
219.13741	1.7
221.13158	1.4
223.14983	1.6
225.12738	3.3
225.16319	2.1
229.12286	5.1
231.13837	1.4
233.13446	1.3
237.16261	2.4
239.14317	4.3
239.17955	6.6
243.13864	5.2
243.21237	1.5
253.15843	1.7
253.16783	1.4
253.19521	19.5
255.21091	3.6
257.12888	1.6
257.15448	3.5
260.89005	1.1
263.18069	3.9
281.19009	18.7
282.27911	4.7
299.20078	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
51.15512	1.1
53.03936	1.3
55.01869	1.6
55.05513	6.8
57.07084	2.0
59.05005	1.5
67.05499	7.5
69.03449	7.1
69.07058	5.2
70.10434	4.8
71.04987	3.2
79.05505	7.8
81.07066	11.9
81.96966	1.3
83.04977	4.9
83.08624	8.0
85.06559	1.6
91.05482	14.3
93.07039	13.5
95.04382	1.9
95.04980	35.1
95.08607	10.5
97.06523	4.6
98.20830	1.5
103.05467	2.8
105.07035	26.4
107.04960	3.1
107.08591	23.9
109.06528	14.9
109.10176	8.8
111.04418	1.5
113.09644	1.7
115.05441	2.0
117.07016	5.9
119.04930	1.4
119.08591	40.5
121.06507	8.1
121.10156	16.3
123.08073	3.0
123.11674	2.0
125.09633	1.9
128.06279	2.4
129.07001	3.7
130.07802	4.8
131.08565	14.3
133.06480	1.9
133.10141	15.0
135.08049	18.2
135.11690	4.4
136.08817	2.0
137.09642	8.6
141.06987	1.6
142.07767	6.0
143.08580	14.3
145.10135	47.3
147.08038	3.6
147.11681	5.4
149.06009	2.9
149.09651	6.3
154.07825	1.5
155.08569	7.4
156.09340	5.9
157.10141	15.7
158.07257	4.6
158.10924	2.4
159.08072	6.9
159.11700	12.2
161.09627	10.2
161.13249	2.9
163.11189	5.3
165.08997	1.3
167.08606	3.7
168.09225	1.8
168.16722	1.2
169.10121	11.8
170.10916	3.8
170.67108	1.2
171.11694	11.7
172.12395	1.5
173.09602	10.6
173.13286	11.2
175.11205	3.4
175.14838	1.6
177.09097	1.6
179.08516	2.0
181.10139	4.5
182.10947	4.0
183.11664	8.7
183.90381	1.2
184.12494	3.7
185.09683	2.5
185.13269	9.7
187.11194	3.6
187.14842	3.3
189.12724	3.7
192.09256	1.4
193.04709	1.3
193.10147	4.4
195.08124	1.5
195.11780	5.9
197.13271	14.1
199.11180	5.3
199.14848	10.0
201.12749	4.0
203.14371	1.9
207.11728	4.7
208.12463	2.3
209.13327	1.6
210.10355	1.5
211.11179	4.3
211.14789	7.2
213.10071	1.5
213.12729	4.0
213.16431	4.0
215.14296	5.5
217.15871	4.0
221.13217	3.7
223.14856	8.4
225.12793	7.4
225.16306	2.3
237.16408	2.4
238.13524	1.8
239.14389	2.6
239.17967	4.0
240.18810	3.5
241.15872	8.5
243.13799	6.8
253.19563	5.0
255.17596	1.6
257.19006	12.2
263.17947	4.4
270.19742	1.8
271.20633	3.5
281.18985	19.0
299.20062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2006
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
53.03940	0.6
55.01860	0.4
55.05503	1.8
57.03431	0.3
57.07065	0.8
60.94054	0.3
65.03922	0.5
67.05505	2.4
69.03412	1.3
69.07071	1.9
69.86457	0.7
69.86861	0.9
70.06611	0.4
71.04991	0.3
79.05492	3.8
81.07046	2.7
83.04977	1.3
83.08638	1.8
84.08189	0.3
85.06551	0.4
86.09718	0.5
87.34939	0.3
91.05485	22.8
93.07042	4.7
95.04979	1.2
95.08617	4.9
97.06551	0.3
98.21494	0.5
98.39839	0.3
98.97586	0.6
103.05454	1.0
105.07036	13.8
107.04939	0.9
107.08594	6.9
107.82630	0.3
109.06499	1.7
109.10141	1.7
111.08088	0.5
115.05437	1.8
116.06243	5.6
117.07007	2.0
119.04957	5.0
119.08582	11.0
121.06518	1.4
121.10151	6.2
123.08044	1.4
123.11668	0.7
125.09616	1.5
128.06245	0.9
129.06046	0.5
129.07004	8.3
130.07857	0.6
131.08571	38.8
132.84915	0.3
133.06519	2.3
133.10132	2.9
134.07237	0.4
135.08051	1.7
135.11662	0.7
136.06178	0.6
137.09590	0.6
139.11159	0.3
141.07007	0.6
142.07755	1.6
143.08580	3.4
144.09261	0.5
145.06464	0.9
145.10136	2.4
147.08054	1.1
147.11699	1.1
149.05975	1.1
149.09624	4.7
155.08519	1.7
156.09351	2.6
157.10121	4.0
159.08052	100.0
161.09639	2.4
161.13226	1.2
163.11172	0.7
167.08559	0.4
167.10667	0.6
168.09329	0.6
169.10115	1.4
171.11685	3.7
173.09639	0.7
173.13286	0.9
174.10306	0.4
175.07562	0.3
175.11208	1.0
176.11952	0.9
178.07759	0.3
179.08405	0.3
180.09375	0.5
181.10121	1.2
182.10854	0.7
183.11687	2.7
185.09645	1.3
185.13242	0.9
187.07579	0.7
187.11191	1.4
189.12733	3.8
192.09322	0.9
193.10158	1.4
194.10793	0.3
195.08206	0.4
195.11766	1.0
197.09633	0.8
197.13264	2.9
199.11163	4.1
199.14871	1.7
201.12747	1.3
205.08580	1.2
206.10905	1.1
207.11786	1.5
208.12418	0.5
209.13263	0.8
210.10468	0.4
211.11192	1.4
211.14879	1.5
212.11940	0.4
213.12782	1.2
215.14340	0.9
219.11794	0.4
221.13206	1.2
223.11209	0.4
223.14836	1.2
224.11838	0.3
225.12776	3.8
225.16388	0.6
233.13324	0.5
234.13960	0.6
237.16417	0.6
239.14325	1.6
239.17935	0.6
240.15099	0.4
241.15889	0.6
243.13708	1.5
248.15584	0.8
251.14400	0.7
253.19492	1.5
255.10144	0.5
257.18954	1.4
263.17957	3.8
266.16605	0.4
269.11832	0.7
281.19012	20.3
299.13028	1.8
299.20062	40.3
322.95392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03935	2.6
55.05511	7.0
57.03417	3.3
57.07058	2.5
59.04953	1.2
67.05508	15.5
69.03418	2.4
69.07082	6.0
70.06567	3.3
70.36853	1.8
70.37206	2.5
70.91272	0.8
71.04978	2.4
72.08146	0.9
77.03910	1.1
79.05501	10.5
81.03423	1.1
81.06596	1.5
81.07055	24.2
82.87143	0.8
83.04929	1.3
83.08630	2.1
84.08115	3.3
85.06535	2.0
86.09697	1.4
91.05481	17.5
92.05794	1.1
93.07049	34.5
95.04978	8.0
95.08609	27.3
96.18201	0.9
97.06545	5.1
97.10138	1.5
99.04436	1.8
103.05472	2.7
105.04552	1.0
105.07034	34.3
107.04916	1.1
107.07893	2.0
107.08598	36.1
108.08114	1.7
109.06523	5.9
109.10165	13.1
110.07150	0.9
111.08069	4.2
115.05424	1.5
117.07029	8.4
118.15781	0.9
119.04902	1.0
119.06095	1.2
119.08582	31.9
121.02831	0.9
121.06512	14.5
121.10151	15.3
122.06798	4.6
122.09640	1.1
123.08067	8.3
123.11697	3.3
125.09664	2.3
128.06187	2.5
129.07014	6.7
130.07764	3.5
131.07594	1.4
131.08582	20.1
133.06436	3.2
133.10126	16.3
135.08055	10.8
135.11699	4.4
136.06160	2.7
137.06656	1.0
137.09598	2.7
137.13229	0.9
141.06990	2.5
142.07811	5.1
143.07504	1.5
143.08559	19.0
144.09370	5.5
145.06435	1.4
145.10135	28.9
147.07997	3.4
147.11693	15.5
149.05974	7.9
149.09625	10.5
149.13202	2.5
151.07437	0.9
151.11143	2.1
155.08542	6.2
156.09322	4.0
157.10124	26.0
158.10896	4.9
159.08034	3.8
159.10497	1.7
159.11702	28.4
161.09584	5.5
161.13255	6.3
163.11185	6.3
168.09320	1.8
169.10118	7.9
170.10869	4.1
171.07961	1.2
171.11696	16.2
172.12466	2.1
173.09595	3.7
173.13271	9.5
175.11160	12.7
175.14737	3.0
177.09058	3.8
177.12756	3.0
179.08516	1.1
179.14302	0.9
181.10069	1.4
182.10915	1.7
183.11699	7.3
184.12440	1.7
185.09660	2.0
185.13264	23.7
187.07555	1.9
187.11188	5.1
187.14792	8.2
189.12729	13.8
191.10632	3.3
194.10963	1.0
195.11638	2.4
196.12473	1.3
197.13271	12.0
199.11119	1.1
199.14845	13.0
200.15631	13.8
201.12747	5.4
201.16219	1.0
203.10658	5.5
203.14275	3.9
205.08568	2.4
205.12163	1.6
207.11778	1.2
207.13760	1.3
208.12459	1.3
209.13228	1.7
211.11238	1.3
211.14807	5.7
213.12656	2.2
213.16318	2.4
215.14346	2.6
215.17874	1.1
217.15932	1.9
219.13808	1.9
223.14816	3.1
225.12720	2.6
225.16370	9.6
227.14250	1.8
229.14107	2.0
229.16042	1.2
238.17099	0.9
239.14362	1.4
239.17979	1.5
241.15886	2.8
243.13763	2.4
243.17455	1.7
243.21057	2.3
253.15898	2.0
253.19513	18.9
253.22148	1.5
256.20557	3.6
257.15265	1.3
263.17902	1.7
271.20532	9.5
278.72549	1.0
281.18985	13.3
299.05460	1.5
299.19980	100.0
300.20041	1.3
300.23154	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	299.2008
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
55.05508	1.8
57.07076	0.8
67.05495	1.9
69.03440	0.6
69.07076	0.9
69.89658	2.5
71.04987	0.5
79.05511	2.8
80.55759	0.5
81.07061	2.0
83.04988	1.2
83.08614	1.5
91.05490	19.6
93.07061	3.9
95.04964	0.9
95.08627	5.3
97.06551	0.6
98.20856	1.1
103.05450	1.2
105.07040	10.3
107.08603	6.2
109.06516	1.0
109.10188	1.2
111.08096	0.9
115.05473	1.7
116.06243	6.3
117.07030	2.3
119.04972	4.2
119.08594	12.7
121.06506	1.8
121.10156	3.8
123.08088	1.7
123.11736	0.8
125.09635	1.7
128.06252	0.9
129.07014	6.6
131.08580	35.9
133.06468	0.9
133.10123	2.7
135.08044	2.0
141.06990	0.7
142.07793	1.6
143.08598	3.1
145.06502	1.0
145.10120	2.6
147.08141	0.9
149.09618	5.3
152.40906	0.5
155.08537	1.2
156.09348	1.8
157.10117	3.8
159.08067	100.0
159.11703	2.3
161.09608	1.5
161.13263	1.1
169.10156	2.4
171.11710	2.8
173.09604	0.9
179.08546	0.6
181.10156	0.8
182.10872	1.1
183.11714	1.3
185.09593	1.6
187.11212	1.5
189.12759	2.8
192.09428	0.8
193.10211	1.0
195.11682	1.3
197.13232	3.0
199.11191	3.8
199.14839	1.1
201.12825	1.4
207.11719	1.4
207.31975	0.6
211.11172	0.9
211.14789	0.8
213.12817	0.7
215.14307	1.1
221.13237	1.4
223.14838	1.9
225.12793	3.6
225.16273	0.6
233.13397	1.0
239.14371	1.6
239.18002	1.1
243.13895	1.6
253.19539	0.7
257.18961	1.5
263.17902	3.3
281.16605	0.4
281.19031	21.5
299.20074	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
53.03948	0.5
55.01864	0.4
55.05516	1.7
57.07072	0.7
64.95609	0.3
65.03928	0.5
67.05508	2.4
68.99831	0.4
69.03437	0.9
69.07063	1.2
70.21841	0.6
70.22231	0.7
79.05502	3.4
81.07056	2.8
83.04984	1.6
83.08618	2.2
85.02882	0.3
91.05484	20.8
93.07059	4.6
95.04967	1.5
95.08614	4.4
103.05463	1.2
105.07040	11.8
107.04961	0.5
107.08604	6.3
109.06535	1.1
109.10154	1.2
111.08079	1.0
115.05463	1.7
116.06254	6.7
117.07024	1.8
118.95658	0.4
119.04952	4.9
119.08586	10.9
121.06531	1.8
121.10143	5.0
123.08086	2.0
123.11697	0.5
125.09629	1.8
128.06233	1.0
129.07002	7.6
131.08572	35.8
133.06497	0.9
133.10139	3.1
135.08061	2.2
136.06165	0.4
137.09546	0.4
141.06975	0.4
142.07785	1.4
143.08577	2.8
145.06493	0.8
145.10126	3.1
147.08102	1.0
147.11713	0.8
149.06000	3.5
149.09625	4.6
154.07755	0.4
155.08623	1.8
156.09331	1.8
157.10110	4.3
158.10965	0.4
159.08060	100.0
160.39650	0.3
161.09668	2.0
161.13269	1.3
163.11151	0.6
165.07030	0.4
166.07829	0.5
167.08609	0.4
167.10712	0.6
168.09364	0.4
169.08902	0.4
169.10098	1.7
170.10876	0.4
171.11702	4.7
172.08820	0.5
173.09648	0.8
173.13269	1.1
175.11220	1.0
176.11908	0.6
177.96005	0.3
179.08534	0.5
180.09320	0.5
181.10216	0.6
182.10883	0.9
183.11684	2.5
185.09615	1.5
185.13307	0.6
187.07408	0.6
187.11183	1.2
189.12784	2.7
192.09267	0.5
193.10150	1.0
195.11751	1.0
196.12396	0.4
197.09608	0.4
197.13219	3.3
199.11183	3.8
199.14880	1.2
201.12784	1.3
205.08568	0.6
206.10948	1.0
207.11703	1.6
208.12433	0.6
209.13176	0.8
210.10356	0.9
211.11267	0.8
211.14792	1.0
212.11943	0.4
213.12746	0.6
215.14333	0.7
220.12204	0.5
221.13326	1.7
223.14912	1.3
225.12758	3.8
225.16266	0.5
226.13663	0.4
233.13329	1.0
235.14648	0.5
237.16286	0.6
239.14297	1.9
239.17879	0.7
243.13832	1.5
248.15689	0.7
251.14381	0.5
252.15228	0.4
253.19653	0.7
255.17461	0.5
257.18958	1.5
263.17984	3.4
266.16699	0.4
281.19028	21.6
299.20065	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2008
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
52.89000	0.5
53.03969	0.5
55.01868	1.2
55.05514	2.6
55.19393	0.4
57.07066	0.5
59.05016	0.5
67.05502	2.1
69.03428	1.4
69.07064	2.1
69.66756	2.6
73.58509	0.5
79.05503	4.9
81.07053	3.3
83.04977	1.7
83.08621	2.9
85.06564	0.6
91.05492	21.0
93.07055	5.4
95.04966	1.8
95.08629	5.4
97.06530	0.5
97.10184	0.5
98.21510	0.6
102.33165	0.5
103.05489	0.7
105.07035	11.8
105.07697	1.0
107.04969	0.9
107.08601	6.7
109.06521	1.9
109.10144	1.4
111.08034	0.7
115.05462	1.1
116.06240	5.5
117.07036	1.7
119.04943	5.3
119.08591	11.5
121.06514	1.8
121.10157	6.0
123.08058	2.5
123.11716	0.7
125.09612	2.4
128.06285	0.7
129.07011	7.7
131.08582	36.7
133.06525	1.1
133.10152	1.8
135.07123	0.5
135.08022	2.5
135.11748	0.6
137.09683	0.4
139.70152	0.6
141.06976	0.6
142.07799	1.6
143.08566	3.1
145.06528	0.8
145.10146	3.4
147.08006	1.3
147.11720	1.1
149.05983	0.9
149.09621	4.1
151.07545	1.3
155.08498	0.6
156.09354	2.3
157.10150	4.8
159.08067	100.0
159.11710	2.2
161.09612	2.0
161.13252	1.1
163.11177	0.7
167.08578	0.7
167.10727	0.8
169.08698	1.1
169.10165	2.4
171.11694	3.9
173.09628	1.4
173.13289	0.7
175.11154	0.8
175.14873	0.6
176.11937	0.8
179.08623	0.5
181.10120	1.0
182.10918	1.3
183.11719	1.8
185.09669	1.3
185.13257	0.8
186.10434	0.6
187.07635	0.6
187.11235	1.3
189.12770	2.9
191.08389	0.4
192.09322	0.7
193.10172	1.4
194.10898	0.6
195.08229	0.5
195.11685	1.0
197.09639	0.5
197.13284	3.6
199.11186	4.7
199.14838	1.5
201.12779	2.1
205.08650	0.6
206.10890	1.1
207.11728	1.6
208.12532	0.5
209.13310	0.9
210.10416	1.1
211.11134	1.3
211.14928	1.0
213.12791	0.9
215.14417	1.2
221.13248	1.7
223.11107	0.6
223.14804	2.3
225.12781	2.9
233.13248	0.9
235.14856	0.7
237.12813	0.5
237.16464	0.6
239.14250	1.3
239.18065	0.8
241.15831	1.3
243.13879	1.4
246.90166	0.5
248.15634	0.9
251.14465	0.6
253.19598	1.1
255.17416	0.6
257.18973	1.5
263.18292	2.6
271.20535	0.6
281.19043	21.0
299.20074	42.4
304.69223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1283
Annotation	7,4'-Dimethoxy-6-C-methylflavanone
Peak:m/z	Relative Intensity
53.03948	1.6
54.30081	0.2
55.01878	1.5
55.05506	0.5
56.96562	0.4
65.03950	0.2
67.05512	0.7
68.99799	15.5
70.32300	0.6
77.03936	0.3
79.05496	2.8
81.03424	1.4
81.07067	15.1
84.08067	0.4
86.09698	0.4
88.52235	0.2
91.05491	3.6
93.06488	0.4
93.07059	5.7
95.04977	1.2
95.08601	0.8
98.97581	0.8
103.05483	7.1
105.04529	0.3
105.07053	3.2
107.04963	3.0
107.08600	0.5
109.02879	2.6
109.06532	0.5
109.10169	0.6
111.04449	0.4
119.08588	0.9
121.06520	19.1
121.10165	1.0
123.08103	0.4
129.07025	0.4
131.04964	1.5
131.08568	0.3
133.06499	1.8
133.10159	0.3
134.03778	0.3
135.08104	0.4
143.08569	0.9
145.10141	1.0
149.05998	100.0
150.06322	0.4
151.07567	0.9
160.21603	0.2
161.09647	1.8
163.11180	1.2
171.08026	0.4
172.08939	0.2
183.11725	0.3
189.09091	2.0
190.09966	0.4
191.10713	0.8
193.10371	0.2
203.10745	0.6
219.01862	0.3
227.12726	0.3
234.23662	0.3
237.02811	0.3
243.10152	0.4
247.58900	1.5
253.12250	1.0
257.04803	0.7
269.58398	1.0
271.13318	1.1
278.58954	0.6
281.11771	1.1
299.10040	0.4
299.12851	2.3
299.16293	0.3
299.20068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2743
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
53.03929	1.0
55.01849	0.4
55.05513	9.3
56.05038	6.5
57.03427	0.5
57.07083	3.0
58.02962	2.6
58.06599	0.4
60.04525	3.2
61.01125	0.4
61.79359	0.3
65.03919	1.0
67.04263	0.7
67.05508	16.8
68.05024	2.4
69.03448	0.4
69.07072	9.6
71.08617	1.2
71.52219	0.4
72.04505	1.0
74.06078	0.4
79.05495	9.9
80.05017	2.8
81.03412	0.7
81.07056	14.9
82.06580	8.4
83.04963	1.2
83.08620	5.1
84.04502	0.4
84.08154	1.7
85.10190	0.4
86.06078	2.3
91.05488	5.9
93.07040	6.4
94.06565	3.1
95.04948	1.4
95.07342	1.0
95.08609	11.6
96.08105	1.5
97.06527	0.9
97.10176	2.2
98.06057	1.1
98.97598	0.5
100.07597	1.5
105.04519	0.5
105.07035	3.3
107.08603	3.3
108.08089	1.2
109.06509	0.6
109.10159	4.7
111.11685	0.3
112.07621	0.7
119.08587	2.8
120.08139	0.4
121.10153	3.5
122.09662	1.2
123.08042	0.5
123.11704	1.1
133.10097	2.4
135.11674	1.4
136.06186	7.3
136.11206	0.4
137.13199	0.6
140.10713	0.7
146.24890	0.3
147.11708	0.5
149.13264	0.4
150.95490	0.3
154.12401	0.3
159.08154	0.3
161.13295	0.4
163.14851	0.4
166.78047	0.3
191.17880	0.6
214.72643	0.4
216.61632	0.3
234.22151	0.4
245.22566	0.6
250.25272	7.5
260.23581	0.7
262.25299	3.3
263.23676	0.9
280.26355	100.0
281.26749	0.7
298.09613	0.5
298.22086	0.4
298.24966	0.9
298.27615	1.1
299.20074	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1649
Annotation	Solorinine
Peak:m/z	Relative Intensity
50.36871	0.4
53.03919	0.6
55.01866	1.3
55.05515	3.8
56.05037	8.3
57.03431	2.3
57.07073	0.5
61.01132	0.7
67.05507	4.1
68.73150	0.4
69.03391	0.6
69.07068	3.9
70.06584	2.6
70.99400	0.7
71.04974	1.2
74.06077	2.8
75.02714	0.9
79.05514	2.5
80.04996	0.8
81.07056	7.7
82.06555	1.4
83.04951	0.9
83.08569	0.9
84.04509	16.9
84.08112	2.1
85.02895	4.0
85.06526	0.6
86.06058	0.8
91.05479	2.7
93.06586	0.5
93.07037	6.2
94.06551	1.1
95.04925	1.4
95.08064	0.7
95.08614	9.4
96.04475	1.1
96.08131	2.5
97.06544	2.8
98.05992	0.6
98.09662	1.6
98.97573	0.6
102.05556	3.6
103.05447	1.7
103.17518	0.5
105.07035	2.6
106.06506	0.7
107.08598	2.7
108.08119	3.7
109.10122	2.1
110.06023	0.7
110.07174	0.6
110.09658	1.7
111.08052	0.5
112.03929	0.9
112.07610	0.8
119.08543	1.2
120.08100	1.1
121.05704	0.7
121.06509	12.5
121.10126	0.6
122.06019	1.0
122.09694	2.4
123.08037	1.2
123.11678	2.1
124.07525	1.5
124.11190	1.0
125.09644	0.6
126.05491	0.9
130.05006	43.3
133.10075	1.2
134.09610	0.9
135.10393	0.5
135.11644	0.9
136.05183	0.9
136.06190	14.8
136.07498	1.4
136.11171	1.6
138.05469	0.6
138.09166	0.6
140.07016	1.6
140.08075	0.6
140.14285	0.5
147.04356	0.9
148.07549	0.8
148.11136	0.6
149.11940	0.7
150.12762	0.9
152.07059	0.9
152.10583	1.0
152.82773	0.4
153.09048	1.0
154.12268	2.4
156.06543	1.2
161.09624	0.6
162.09129	1.5
162.12738	1.7
164.14427	2.5
166.08609	0.5
166.15825	0.8
168.06516	0.9
168.10179	0.6
168.13779	1.9
170.08130	1.0
170.11746	1.7
172.06026	0.7
178.12268	7.5
178.15822	0.5
180.10196	4.3
180.13766	3.1
182.08170	2.5
182.11659	0.8
184.09735	3.8
186.07529	1.8
190.12274	0.7
190.15964	0.7
192.13872	2.7
194.11665	0.7
195.12456	0.5
196.13255	3.7
198.11299	5.8
203.04012	0.8
206.15363	1.1
208.13388	3.1
208.16898	2.1
210.14902	4.5
224.12813	23.3
228.08575	0.7
236.12735	1.6
242.13878	17.3
252.15942	10.4
252.64018	0.6
254.14018	4.1
254.17407	27.2
275.05981	0.7
276.19522	0.6
284.33063	0.5
297.68365	1.8
298.16400	100.0
299.16660	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0972
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
55.01870	0.1
55.05503	0.2
56.05037	0.3
57.03439	0.1
58.06598	0.1
60.04519	0.1
60.05643	0.1
60.31212	0.1
61.01155	4.7
64.83117	0.1
67.05500	0.1
69.03421	0.4
69.07075	0.1
70.02956	0.1
70.06599	1.4
70.16118	0.4
72.08173	0.5
74.06071	0.2
75.02711	2.1
81.07034	0.2
83.06096	0.2
84.04507	0.4
84.08147	1.9
85.02890	0.2
85.06601	0.1
85.08473	0.1
86.06058	0.1
86.09708	1.2
87.04475	1.0
88.04012	0.1
91.05472	0.3
93.04549	0.1
94.04067	0.4
94.06570	0.1
96.04465	0.1
96.08128	0.1
97.02894	1.4
97.73264	0.1
98.06063	0.1
98.09711	0.2
101.09695	0.1
102.05564	0.1
103.02171	0.4
103.05465	0.1
109.05056	0.1
110.06062	0.1
110.07166	1.5
112.08689	0.2
119.03560	0.7
119.04902	0.2
120.08102	0.6
121.06497	0.1
121.07632	0.1
121.08482	0.1
122.07173	0.3
122.09667	1.2
126.12727	0.1
129.10284	0.5
130.08679	0.1
136.06192	100.0
137.04585	0.3
137.06554	0.3
137.07890	0.2
138.05536	0.1
138.06633	0.1
139.07578	0.2
139.08658	0.1
145.03194	1.3
147.04449	0.2
156.07701	0.2
158.09245	0.1
163.04242	1.6
184.13368	0.2
193.10921	0.2
195.08786	0.2
207.11339	0.2
208.13435	0.2
212.12807	0.2
216.06693	0.1
226.14355	0.1
239.11411	0.3
289.64313	0.1
291.23868	0.1
298.09695	5.2
298.16492	3.1
298.19736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69914	0.6
55.97552	0.5
56.96565	6.7
61.85035	0.6
70.17374	2.6
71.95266	1.8
76.45470	0.6
85.94851	0.6
98.97587	100.0
102.72814	0.6
116.98625	30.9
130.93306	1.3
134.99664	5.8
140.00281	0.6
168.43127	0.7
172.94319	3.6
190.95432	2.2
194.44916	0.6
208.96349	0.6
214.95407	4.1
232.96466	6.0
249.50818	0.6
250.97488	1.5
256.93985	0.4
256.96448	19.4
274.97507	73.5
292.98563	30.5
293.01950	1.1
294.98782	0.9
297.99200	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96588	18.8
71.00384	42.8
95.31464	15.0
98.09729	13.8
98.97588	57.4
116.98653	14.5
127.11408	16.7
136.06189	100.0
143.87189	15.2
166.07315	22.4
221.00351	17.8
233.01385	18.2
251.02710	16.7
293.03360	21.3
298.06836	55.4
298.15115	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	297.2426
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.97476	1.3
53.03953	1.6
55.05509	17.6
57.03422	2.1
57.07067	5.2
62.20259	1.2
67.05509	63.2
69.07078	16.3
70.56551	3.8
70.69292	1.2
71.05001	21.9
71.08635	1.4
79.05503	16.7
81.07060	100.0
83.04967	2.0
83.08622	13.2
85.06553	18.5
91.05480	11.7
93.07047	18.5
95.08614	84.1
97.06535	5.9
97.10172	9.8
97.33613	1.2
97.61250	1.2
99.08091	8.7
105.07042	8.9
107.08592	12.3
109.06569	1.4
109.10161	35.6
111.08064	3.0
111.11710	1.7
117.07052	3.0
119.08587	9.0
121.10153	16.0
123.11716	17.3
125.09660	1.4
129.07053	1.8
131.08583	15.1
133.10139	9.2
135.11720	11.0
136.06183	3.2
137.09612	2.9
137.13261	6.8
139.11121	2.0
143.08600	3.9
145.10123	6.2
147.11681	8.3
149.09738	1.8
149.13271	3.0
151.11252	3.0
151.14801	2.7
155.08531	2.3
156.09300	1.5
157.10121	5.7
159.11716	3.8
161.13254	9.4
163.14838	3.5
165.12727	6.0
169.10147	2.1
171.11746	5.9
173.13261	3.6
175.14844	1.5
177.16441	1.8
179.08566	1.9
179.14340	6.4
180.09474	1.3
181.10091	4.4
181.12167	1.1
185.13234	3.1
187.14818	4.0
191.14294	2.0
193.10199	2.3
195.11748	4.9
195.13785	1.7
197.13264	1.5
209.13358	2.1
209.15396	1.6
219.11784	1.4
223.11221	1.5
223.14905	2.9
223.16986	2.9
235.14812	2.1
237.16414	4.5
243.21146	5.1
251.17888	3.3
255.17632	1.9
261.16437	4.5
261.22180	9.1
279.17490	12.5
279.23206	18.5
297.18506	24.1
297.24237	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2424
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
52.07730	2.0
53.03941	4.3
55.01870	6.2
55.05515	54.2
57.03442	4.9
57.07073	7.1
66.29897	2.1
66.39556	2.3
67.05508	71.3
69.03445	5.4
69.06730	3.8
69.07074	49.0
71.04997	5.2
71.08636	8.4
71.37450	3.1
79.05495	37.8
80.93094	2.1
81.07061	81.5
83.04986	5.8
83.08621	36.3
85.06542	5.2
91.05470	10.8
93.07050	30.5
95.08613	59.1
97.06555	11.1
97.10179	55.2
99.08107	7.5
105.07040	7.7
107.08607	35.8
109.06525	2.2
109.10165	41.6
111.08082	6.2
111.11763	3.6
119.08582	4.4
121.10133	12.1
121.37774	2.1
123.11694	16.3
125.09626	34.7
131.08574	5.5
133.10162	2.9
135.08038	5.7
135.11694	21.1
137.13293	14.8
145.10181	5.2
147.11693	8.0
149.09657	2.7
149.13280	6.6
151.11169	4.0
151.14833	4.1
153.09100	3.0
153.12794	13.5
159.11705	3.1
161.13228	3.3
163.14819	4.6
165.12854	3.5
171.10204	5.1
173.11839	3.0
173.13292	4.6
175.15024	2.1
177.16495	3.9
181.12227	2.8
183.13789	17.0
187.14780	4.7
189.11241	24.9
191.14468	2.4
209.15353	4.1
223.16968	3.1
228.64714	2.1
233.22572	4.0
239.54961	2.2
243.21129	11.0
249.14362	2.2
251.23645	4.5
261.22141	30.6
272.87177	2.2
279.23199	100.0
287.59039	2.6
297.24368	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	297.2424
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
52.35641	2.1
55.01858	2.2
55.05513	32.0
56.49977	2.1
57.03442	5.8
57.06821	3.5
57.07082	35.5
65.03949	2.2
67.05511	74.7
69.03445	2.3
69.07067	14.6
70.49134	4.3
70.49503	5.0
71.04987	3.8
71.08620	3.3
75.15762	2.1
79.05502	45.8
81.07061	69.0
83.04990	9.2
83.08627	28.5
84.08128	6.6
85.06544	4.9
85.10189	78.7
89.06039	4.1
91.05482	44.5
93.06485	3.8
93.07055	55.1
95.04971	4.2
95.08616	68.0
97.06532	9.8
97.10153	7.7
98.09672	2.5
99.08098	6.9
105.07037	27.9
107.08600	38.0
109.06549	3.4
109.10179	20.3
111.08091	9.0
112.79405	2.2
113.09653	100.0
117.07026	9.5
119.08594	20.0
121.06510	4.2
121.10159	43.0
123.08083	6.4
123.11696	6.4
131.08578	29.1
131.10670	3.4
133.10146	44.9
134.64542	2.1
135.08017	5.3
135.11685	12.1
136.06177	4.4
137.09619	4.1
137.13245	3.2
139.11198	2.7
141.12750	2.9
145.10132	21.8
147.11681	8.0
149.09683	12.5
149.13269	31.4
151.11192	11.2
153.12691	3.5
157.10161	3.8
159.11739	14.4
161.13263	12.1
163.14873	3.2
165.12814	3.1
167.14297	12.3
171.11678	3.0
173.13219	2.8
177.16388	8.1
179.14355	6.5
181.15851	5.4
187.14835	51.0
189.16379	5.3
191.14363	7.6
197.15414	4.7
197.41689	2.3
205.15913	29.6
233.15338	5.6
233.22752	2.8
243.21107	13.0
261.22131	21.1
279.19687	13.3
279.23190	88.9
297.18213	6.1
297.21201	4.6
297.24182	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	296.2013
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
51.02382	0.2
53.03955	2.2
55.01868	0.4
67.05518	0.2
69.94312	0.9
74.25885	0.2
77.03941	0.8
78.44696	0.2
78.47320	0.2
79.05493	0.3
81.03427	0.3
84.08117	0.5
91.04904	0.5
91.05488	10.4
93.07053	17.3
95.04980	2.4
103.05478	12.2
105.04534	1.0
105.07047	0.3
118.06551	3.8
118.43483	0.2
119.49240	0.2
121.06516	100.0
126.01093	3.9
128.02675	1.7
132.08092	1.3
133.08893	0.6
134.09705	0.5
141.02225	0.2
144.02084	0.2
146.09657	1.0
176.14362	64.0
177.14728	0.3
187.72266	0.2
214.67714	0.3
235.07570	0.3
265.12173	0.4
296.03564	3.9
296.20111	94.7
297.20435	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1125
Annotation	p-coumaryl p-coumarate
Peak:m/z	Relative Intensity
53.03946	0.3
55.01867	0.6
55.05495	0.3
63.23039	0.2
65.03918	0.5
67.05499	0.5
69.07074	0.3
70.06596	0.3
78.02512	0.2
79.05489	0.7
81.07037	0.4
81.57275	0.2
84.08134	0.5
91.05486	3.4
92.05811	0.7
93.07055	2.2
94.07400	1.1
95.04987	0.5
95.08624	0.4
98.09701	0.4
103.05486	1.8
104.05783	0.4
105.03553	0.2
105.04535	0.2
105.07037	5.2
107.04968	2.4
109.10177	1.3
115.05460	0.3
118.06563	0.3
119.04951	3.6
120.08141	0.2
121.02870	2.0
121.06517	9.7
121.10135	0.3
122.06851	5.3
123.11758	0.3
128.06235	1.0
129.07057	1.8
131.04929	0.5
133.05479	0.4
133.06500	8.4
134.07292	8.1
145.06442	0.3
147.04424	100.0
148.04741	0.3
151.07591	0.3
157.06512	4.4
159.04408	0.5
159.08150	0.3
161.05980	0.6
176.07111	0.5
176.14349	3.9
177.14723	5.0
185.05995	7.7
203.07043	2.0
209.75911	0.2
215.08492	0.3
218.07318	0.3
233.09625	0.9
236.08339	0.4
251.10771	0.5
255.10217	1.5
261.09109	1.5
264.07874	0.2
279.10190	14.0
281.38266	0.2
297.11234	4.1
297.20499	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
55.05510	10.0
55.49893	1.1
57.03442	2.7
57.07068	5.1
67.05506	31.6
69.07072	14.0
69.31605	8.5
71.05008	2.0
71.08633	100.0
71.72202	1.2
79.05493	14.4
81.07060	50.9
83.04985	2.9
83.08617	11.1
85.06542	3.1
85.10181	2.1
91.05484	14.1
93.07037	15.9
95.04961	1.9
95.08613	34.4
95.36211	1.2
97.06518	5.9
97.10172	5.2
99.08097	92.2
105.07022	14.6
107.08611	13.2
109.06525	2.2
109.10157	11.4
111.08085	4.2
113.09650	2.2
117.07026	2.4
119.08598	11.7
121.10152	10.2
123.11709	7.7
125.09676	1.2
127.11194	3.0
131.08629	6.9
133.10132	3.4
135.11693	6.4
137.13281	6.7
141.12750	2.1
145.10141	6.6
147.11696	43.4
149.09605	2.9
149.13287	3.5
151.11263	1.7
151.14821	2.8
153.12753	9.6
159.11690	3.6
161.09634	2.3
161.13281	3.8
163.11208	9.8
163.14803	17.1
165.12776	18.2
165.16219	1.3
167.14343	5.0
169.12204	2.3
173.13287	5.3
177.16385	1.4
181.15916	10.9
187.14801	2.8
195.13844	1.7
209.15396	2.2
233.22693	3.8
243.21095	16.5
255.90054	1.5
261.22150	26.0
279.23203	89.8
280.23425	2.2
297.24420	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	296.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
67.05497	1.1
69.03423	1.0
69.07059	1.2
70.06599	4.8
71.51867	0.7
72.08147	0.6
79.05494	1.0
81.07052	1.7
82.07375	0.4
84.04499	0.6
84.08154	5.9
85.02881	0.7
86.09707	1.1
91.05472	1.2
93.07049	1.4
94.06532	0.5
95.04944	0.5
95.08603	0.8
98.09706	2.4
99.04491	0.5
103.05498	0.7
104.38389	0.4
105.07047	5.8
107.08539	0.6
108.08109	1.2
109.02863	0.5
109.10145	1.5
110.06059	8.6
119.08588	0.9
120.08094	2.3
121.06525	0.6
122.09705	0.7
128.06235	0.6
129.10204	0.8
134.09673	0.6
135.06790	1.4
136.07590	7.8
138.13652	0.5
140.14348	0.9
146.05942	0.8
147.04355	0.5
148.07582	7.8
150.09125	0.8
152.07054	3.4
160.07588	0.9
162.09161	0.7
166.08644	0.8
168.10226	0.5
168.81114	0.6
176.07115	4.0
176.14334	0.6
178.07736	0.6
179.08485	2.4
179.95291	0.4
182.11732	1.0
189.06982	0.6
190.07771	1.7
191.08603	4.0
193.10123	0.8
194.08202	2.5
196.09715	1.5
202.07701	0.9
203.08612	3.3
204.09412	0.5
205.06447	0.8
205.10106	2.8
206.11786	11.5
207.08047	4.4
217.06552	1.2
218.07314	4.2
219.08081	8.5
221.06128	3.2
221.09639	3.4
222.10478	1.9
223.07460	0.6
224.09196	27.9
225.09911	0.8
231.07990	0.6
232.08867	0.8
233.09599	5.5
234.10414	29.8
235.07556	27.5
235.11215	1.1
236.08331	5.5
237.09145	1.5
238.09935	0.6
243.09117	0.5
249.09114	2.0
250.09914	47.5
252.19635	0.9
265.12253	100.0
266.12610	0.8
268.15488	0.6
278.14178	1.0
296.16336	33.5
296.19778	1.5
296.22266	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	296.1161
Annotation	Triadimenol
Peak:m/z	Relative Intensity
55.05514	0.7
57.07076	1.4
67.05503	0.7
69.07068	1.1
69.77390	1.7
70.04079	100.0
70.06601	1.0
71.04999	0.8
79.05488	0.7
81.07065	1.3
84.08163	0.8
85.06540	0.8
91.05484	0.9
93.07053	1.2
95.05002	0.4
95.08631	1.0
96.37906	0.3
97.06566	0.4
99.08097	4.3
100.11287	0.4
105.07051	1.0
107.08604	0.5
117.06961	0.5
119.08535	0.5
121.06525	0.4
121.10165	0.5
131.08578	0.8
133.10104	0.7
143.08557	0.8
145.10083	0.4
147.11687	0.5
159.11674	0.4
168.13815	0.4
169.10149	0.4
173.13313	0.4
185.13307	0.9
225.16466	0.5
241.57034	0.3
243.17520	1.0
270.00049	0.3
278.21741	0.9
278.24707	0.6
296.22406	1.1
296.25769	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	295.2632
Annotation	Methyl linoleate
Peak:m/z	Relative Intensity
53.03941	1.0
55.01866	1.0
55.05513	13.6
55.76991	0.4
56.96574	0.7
57.03438	1.5
57.07076	4.5
59.05001	1.5
60.04533	0.6
63.02546	0.5
65.03945	0.6
67.05173	0.9
67.05505	10.1
69.03429	2.6
69.07069	100.0
70.02960	0.5
70.06590	2.4
71.05001	1.2
71.08637	1.4
71.82858	0.5
72.08148	1.3
79.05484	3.6
81.03356	0.6
81.07059	19.2
83.04979	2.1
83.08624	7.4
84.08153	3.3
85.02913	1.5
85.06537	3.1
85.10196	1.1
86.09715	1.2
91.05482	3.4
93.07051	7.9
94.06583	1.0
95.04973	2.2
95.08607	13.5
95.09180	1.0
96.04505	4.2
97.02898	1.2
97.06542	4.2
97.10181	3.5
98.09652	1.0
99.08093	2.2
103.05458	0.7
105.07041	7.5
106.07336	0.9
107.04942	0.6
107.08596	6.4
109.06514	2.4
109.10162	14.6
111.08067	1.8
111.11724	30.4
113.09642	0.6
114.05540	1.9
119.08585	3.7
119.82156	0.6
120.08140	0.8
121.06524	3.3
121.10152	7.8
123.04428	1.0
123.08065	1.8
123.11704	8.1
125.06017	0.6
125.09633	1.0
127.11202	1.8
129.07022	0.7
129.12755	3.0
131.08548	1.6
133.06503	0.7
133.10138	2.0
135.08069	1.1
135.11697	2.5
136.07574	0.9
137.05995	1.2
137.09618	2.0
137.13271	1.4
139.11185	25.1
141.12776	0.8
145.10141	1.3
146.06003	1.5
147.08047	0.7
147.11668	2.0
149.02286	1.0
149.09561	0.7
149.13284	3.0
151.07541	0.7
151.11212	0.9
151.14789	0.6
153.12761	0.9
157.10149	1.0
157.12273	2.9
161.09647	1.3
161.13254	1.4
163.14787	1.4
165.12732	0.9
171.11659	0.6
174.05569	0.6
175.14809	0.6
176.14293	1.4
177.16365	1.0
200.14273	0.7
219.21051	0.6
221.18915	0.7
241.19447	0.6
250.15802	0.9
259.24197	1.4
277.14120	0.7
277.22119	1.0
277.25272	5.2
278.15146	0.6
295.17545	1.3
295.26324	36.8
296.20111	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	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03942	13.9
54.55599	1.4
55.01861	5.1
55.05516	22.3
57.03429	3.2
57.07079	7.3
67.05508	42.1
69.03397	1.7
69.07071	34.4
69.28503	8.2
69.28918	5.2
71.04970	3.3
71.08629	5.4
79.05498	31.7
79.05944	1.2
80.03618	1.4
80.40937	1.6
81.03422	56.0
81.07059	38.8
83.04988	14.0
83.08618	11.7
84.54500	1.7
85.06561	1.8
91.05485	18.0
93.07052	36.3
95.04974	33.8
95.08609	20.2
97.06519	3.2
97.10152	7.3
98.21622	1.6
99.08131	2.5
105.07034	21.2
107.08607	22.1
109.06506	8.4
109.10153	11.5
111.08063	5.3
112.03994	1.3
117.07032	3.8
119.08598	7.8
121.06535	1.7
121.10139	11.0
123.08057	3.0
123.11707	3.6
125.09629	8.8
129.06995	2.6
131.08554	5.3
133.06546	1.9
133.10124	15.2
135.08043	3.4
135.11696	11.0
137.05913	1.6
137.09596	1.6
143.08554	3.0
145.10127	4.1
147.07994	1.8
147.11710	12.9
149.13266	9.6
150.28181	1.7
151.11186	26.5
153.09067	3.6
157.10139	3.4
159.11687	2.1
161.13293	14.4
163.14787	5.5
165.12744	6.7
171.10333	1.9
171.11700	5.9
173.13272	5.2
175.11235	2.2
175.14850	4.3
177.12729	1.9
179.14301	4.6
185.13292	3.5
189.11150	2.8
189.12704	2.4
193.12251	3.7
199.14781	3.2
203.14394	2.0
207.13768	4.1
212.34239	1.6
217.15866	2.1
221.15433	4.9
231.21077	7.1
235.16998	1.8
241.19475	7.7
249.22107	3.5
259.20529	6.6
277.21640	100.0
295.17368	1.7
295.20471	4.6
295.23163	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	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03945	2.7
53.74476	2.1
54.45168	2.1
55.01873	6.5
55.05513	21.8
57.03425	4.8
57.07063	2.9
67.05184	3.8
67.05510	50.4
69.07063	13.9
71.02608	2.2
71.08635	44.5
79.05493	42.1
81.03410	6.7
81.07059	50.5
83.04993	12.5
83.08630	12.1
85.06522	2.5
91.05486	22.4
93.06493	3.3
93.07048	53.9
95.04956	8.0
95.08606	34.4
97.06522	8.7
97.10146	3.5
99.07516	2.2
99.08104	33.3
105.07022	16.0
106.33237	2.4
107.04947	3.1
107.08608	32.0
109.06513	4.0
109.10163	18.4
113.09690	2.5
117.07014	3.4
119.08601	14.0
121.10147	28.7
123.11702	4.4
127.11211	3.3
129.07022	2.5
129.69391	2.1
131.08553	4.0
133.10132	11.1
135.11697	34.5
137.09589	4.9
141.09056	2.7
143.08513	2.9
145.10155	2.7
147.11679	6.0
149.13304	10.5
151.11203	15.5
153.12706	3.9
157.10065	2.2
159.11708	2.2
161.13251	11.2
163.11191	8.2
167.10706	2.6
175.14717	3.1
177.12804	3.7
179.14316	100.0
179.54610	2.1
182.42569	2.1
195.13745	3.7
221.15388	3.9
235.16866	4.0
259.20605	5.4
269.48843	2.2
277.21646	49.1
295.22693	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	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03949	11.8
55.01869	5.1
55.05514	19.6
57.03428	1.4
57.07085	5.8
67.05508	42.3
69.03409	1.3
69.07069	31.2
70.95536	2.4
70.95853	1.6
71.04996	2.9
71.08612	3.4
75.74489	1.1
79.05499	29.7
81.03422	56.9
81.07061	41.2
83.04987	12.8
83.08621	5.6
85.06542	3.2
85.10180	3.5
91.05491	16.4
93.07048	29.4
95.04975	30.6
95.08612	15.8
97.06554	3.3
97.10202	5.9
99.08096	2.3
105.04539	1.4
105.07043	15.6
107.04957	1.8
107.08595	20.2
109.06521	7.9
109.10151	12.9
110.75053	1.1
111.08096	3.2
113.09656	2.0
117.07034	2.5
119.08591	9.6
121.10143	10.4
123.08049	1.4
123.11725	6.1
125.09638	8.3
129.07033	2.2
131.08578	4.1
133.10139	15.1
135.08047	2.7
135.11703	7.2
137.09531	1.5
137.13234	2.3
145.10136	1.7
147.08070	1.3
147.11691	12.5
149.09572	1.6
149.13255	5.4
151.11186	44.4
153.09111	4.3
157.10159	3.4
161.13278	10.0
163.14818	3.3
165.12753	11.3
171.11693	3.9
173.13293	1.6
175.11208	3.2
175.14830	3.8
177.12784	2.2
179.10681	2.0
179.14290	4.1
185.13263	2.3
189.12775	2.5
193.12128	2.9
207.13849	5.2
217.19647	2.3
221.15359	1.6
231.17545	1.5
231.21068	11.2
241.19464	6.0
249.22182	3.8
259.20596	9.6
266.26114	1.2
274.45056	1.2
277.21628	100.0
295.22812	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03945	4.5
55.01882	31.9
55.05516	66.7
57.03443	5.6
57.07066	8.8
58.88316	3.8
61.81837	3.6
63.81414	3.6
65.03946	4.7
67.05177	6.1
67.05508	69.5
68.05838	6.9
69.03445	6.0
69.07071	36.3
70.06589	7.2
70.07379	5.5
70.59659	4.3
70.59988	7.8
71.04988	10.0
71.08640	27.4
79.05495	42.9
80.05835	8.8
81.03432	13.4
81.07063	84.6
82.07400	19.4
83.04966	13.5
83.08629	59.8
84.08154	7.9
85.06535	7.1
90.50317	3.8
91.05495	47.9
93.07048	53.0
94.07370	8.2
95.04993	18.1
95.08616	41.5
96.08967	6.2
97.02918	3.8
97.06534	16.8
97.10175	16.7
98.20872	4.5
99.04472	3.9
99.08095	27.3
105.07045	43.0
106.07396	8.5
107.04962	8.4
107.08618	34.5
108.08929	10.9
109.06513	18.3
109.09430	4.2
109.10139	20.4
109.87742	3.8
110.06841	4.2
111.08093	36.2
112.01654	3.7
113.09647	6.3
117.07034	10.2
119.08603	26.0
120.08875	4.5
121.10122	25.7
123.08064	7.1
123.11697	4.6
125.09644	15.5
131.08574	11.8
133.10150	35.0
133.29645	3.9
134.10431	5.8
135.07980	5.9
135.11697	13.7
137.05952	8.1
137.09624	8.0
138.06335	5.6
139.11205	9.1
145.10139	10.7
146.05986	6.4
147.11745	20.3
148.12054	4.1
149.09607	10.6
149.13275	14.1
151.11205	31.8
157.10159	12.3
160.98563	4.3
161.13264	8.6
163.11211	15.7
163.14877	6.5
165.12781	15.2
170.45250	3.6
173.13295	11.6
175.11195	6.1
175.14879	4.1
177.12766	5.1
179.14310	11.5
185.13243	3.8
189.11259	4.8
193.12184	4.1
221.15388	4.6
229.90405	4.4
241.19423	12.5
259.20490	17.5
277.17862	7.7
277.21619	100.0
295.09631	4.8
295.22690	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	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.43092	2.2
52.66860	2.6
53.03935	4.2
55.01869	4.3
55.05517	18.8
57.03440	44.8
67.05189	3.9
67.05510	55.9
69.07072	19.7
71.04992	4.4
72.39644	2.3
79.05080	3.2
79.05499	39.0
80.25101	2.2
81.07058	100.0
81.17448	2.6
83.04961	3.6
83.08610	11.1
85.06535	6.5
89.72713	2.5
91.05490	22.3
93.07052	55.1
95.04971	3.2
95.08611	71.5
97.06509	7.9
97.10158	7.6
97.38367	2.7
98.21499	7.3
99.08084	6.7
105.07037	16.0
107.08595	41.2
109.06518	6.4
109.10152	31.5
111.08057	4.3
117.07001	8.1
119.08588	19.9
121.10149	45.4
123.08081	12.6
123.11693	6.6
131.08604	12.9
133.10129	18.5
135.11703	30.1
137.09630	5.5
139.11186	3.2
145.10115	12.9
147.11649	11.0
149.13239	12.6
151.11115	2.9
159.07080	2.6
159.11719	12.1
161.13263	6.7
163.11266	5.3
163.14731	6.4
165.12737	5.1
167.10704	4.4
171.30882	2.5
173.13232	6.2
175.14751	4.6
181.12331	2.6
185.13348	4.6
187.14832	21.5
203.18056	5.9
205.15874	15.1
207.17372	5.0
221.19022	9.5
223.17053	11.8
223.18980	2.3
237.18489	5.5
241.19527	8.3
259.20642	18.4
277.21634	72.9
295.22684	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03944	6.8
55.01879	29.3
55.05515	52.7
57.03430	5.9
57.07077	8.6
67.05508	78.2
69.03430	3.9
69.07073	33.6
70.06651	2.1
70.79676	2.3
70.80016	2.6
71.04997	5.3
71.08636	24.4
79.05496	49.2
81.03435	8.6
81.07061	78.4
83.04990	19.8
83.08619	35.1
84.08143	2.5
84.32813	1.4
85.02931	1.7
85.06566	5.2
85.10190	5.0
91.05482	41.0
91.06027	2.8
93.07045	60.0
95.04977	16.1
95.07991	2.6
95.08607	50.3
97.06537	16.0
97.10170	18.7
99.04434	1.8
99.08103	21.3
103.05448	1.7
105.07031	33.2
105.07689	2.4
107.04980	5.3
107.08591	38.8
109.06511	8.5
109.10156	20.8
111.04499	1.6
111.08084	44.3
111.11710	1.6
113.09651	5.9
115.05431	2.0
117.07033	8.6
119.08573	23.5
121.06496	4.1
121.10149	20.9
123.08107	5.3
123.11691	8.9
125.09648	13.2
127.07562	2.4
127.11240	1.9
129.07039	5.8
129.30658	1.5
131.08595	11.9
133.10130	34.2
135.08075	5.1
135.11708	20.0
137.09633	4.9
137.13268	2.9
139.11165	12.4
143.08574	2.2
145.10139	7.3
147.08131	1.9
147.11693	19.7
149.09647	7.1
149.13264	18.3
151.11211	18.4
153.09177	2.7
153.12785	3.2
157.10170	6.2
159.11678	8.9
161.13293	13.4
163.11200	9.0
163.14894	3.6
165.12750	15.4
167.10756	2.2
171.11742	6.1
173.11902	1.6
173.13312	6.9
175.11186	3.9
175.14868	5.7
177.12802	5.4
179.14336	8.3
181.12216	2.4
185.13322	3.2
189.11221	12.7
189.12692	1.9
193.12242	6.3
193.15990	2.3
195.13806	11.8
199.14821	3.0
206.20047	1.6
207.13803	1.8
217.19441	1.9
221.15448	4.2
231.21204	5.4
235.69765	1.5
241.19672	6.4
249.22159	5.9
259.20624	12.7
277.21655	100.0
295.22769	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
51.22579	1.9
53.03938	5.7
55.01875	38.9
55.05517	62.4
55.96574	1.7
57.03429	5.7
57.07067	9.6
65.03922	3.2
67.05508	87.7
69.03411	7.1
69.06725	3.1
69.07069	35.6
69.88250	8.6
71.04995	8.3
71.08636	26.4
75.95656	1.6
79.05499	57.4
81.03429	12.1
81.07060	90.9
83.04989	20.5
83.08624	42.7
85.06534	8.3
85.10175	6.1
85.38165	1.8
91.05486	44.3
93.07049	64.1
95.04959	13.9
95.08613	54.0
97.06542	15.6
97.10169	22.0
99.08094	26.6
105.07032	29.2
107.04942	3.2
107.08602	39.2
109.06523	8.1
109.10165	18.6
111.08085	46.8
113.09647	4.9
117.07007	9.6
119.08587	24.2
119.28369	1.8
121.06522	2.5
121.10152	20.8
123.08073	7.0
123.11707	7.9
125.09648	17.6
126.12089	1.9
129.07013	4.4
131.08611	10.7
133.10139	33.6
135.08028	2.8
135.11699	20.9
135.33774	1.7
137.09615	4.6
137.13281	3.2
139.11197	14.9
143.08513	4.8
145.10132	6.5
147.08138	2.5
147.11694	19.4
149.09598	5.1
149.13269	24.2
151.11189	23.0
153.12753	3.9
157.10173	9.2
159.11668	10.2
159.46216	1.9
161.13283	14.7
163.11189	8.8
163.14845	2.9
165.12778	18.1
171.11699	5.9
173.13246	3.7
175.11157	7.4
175.14786	5.7
177.12762	6.8
179.14294	9.3
181.12212	3.5
185.13194	3.9
189.11281	8.4
189.12712	2.4
193.12209	4.7
193.15851	2.3
195.13864	9.1
207.13770	3.5
213.89816	1.8
225.14856	2.1
231.21097	4.7
238.96516	1.8
241.19537	7.7
249.22136	8.2
259.20587	15.6
277.21628	100.0
278.21960	1.8
295.22696	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.03348	1.0
53.03947	7.1
54.17314	1.0
55.01873	26.1
55.05513	48.3
57.03440	3.9
57.07076	7.9
59.04995	2.0
61.36493	1.2
65.03939	3.0
67.05508	80.7
69.03422	8.0
69.07073	48.4
70.06581	3.1
70.08996	4.8
71.04999	6.4
71.08639	9.9
73.06554	2.0
79.05025	1.3
79.05132	0.8
79.05492	42.7
81.03426	14.5
81.07059	70.9
82.07373	1.6
83.04983	16.0
83.08628	20.6
84.08180	1.6
85.06539	6.0
85.10198	1.6
87.95087	1.1
91.05479	29.9
93.07047	57.2
94.07383	1.2
95.04969	16.7
95.08611	68.8
97.02899	5.0
97.06532	14.9
97.10165	23.0
99.08109	8.9
101.06045	1.6
105.07035	22.1
107.04951	3.3
107.08598	31.3
108.08996	1.5
109.06519	6.7
109.10156	41.4
111.04480	2.1
111.08094	8.5
111.11758	3.9
113.06027	2.2
113.09660	2.5
115.05465	2.0
117.06985	6.5
119.08586	26.3
121.06503	3.6
121.10150	26.8
123.08070	25.4
123.11700	9.1
125.09637	15.2
129.07042	4.2
129.10223	1.7
131.08559	7.8
133.06549	1.4
133.10127	14.3
135.08072	4.2
135.11687	23.6
137.09613	28.5
137.13252	3.0
139.11185	19.1
141.09213	1.7
142.07787	1.5
143.08598	4.4
145.10155	6.7
147.08072	2.8
147.11696	14.8
149.09688	4.6
149.13240	14.1
151.07581	3.4
151.11201	12.6
151.14839	1.4
153.09135	3.8
153.12738	6.2
155.10696	1.7
157.10176	5.2
159.11694	5.9
161.09666	2.3
161.13243	11.6
163.11185	3.8
163.13564	1.2
163.14864	3.8
165.09135	2.7
165.12747	10.5
165.16447	1.3
167.14368	3.2
169.10144	1.6
169.12285	1.2
171.10309	1.3
171.11732	4.9
173.11865	2.0
173.13307	5.0
175.11226	3.0
175.14915	4.6
179.10736	2.1
179.14336	4.3
181.12254	9.7
181.15907	1.7
182.12590	2.2
185.13264	3.7
187.14876	1.6
189.11275	9.7
189.12828	3.3
193.12236	3.2
193.15938	2.6
195.13809	2.2
199.14873	3.3
207.13858	3.0
213.16476	1.7
215.18156	1.8
217.19682	1.9
221.13319	1.2
221.15422	3.6
221.92705	1.2
231.21074	7.7
235.16983	2.0
239.66254	1.1
241.19522	7.2
249.22168	18.3
259.20578	11.6
260.12433	1.2
277.21646	100.0
278.14737	6.2
295.10840	2.6
295.17294	3.2
295.22772	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03938	4.6
55.01868	7.3
55.05510	26.0
56.05836	3.3
57.03444	3.3
57.07076	7.6
65.03951	5.1
67.05511	89.5
69.03422	3.1
69.07079	23.5
69.82584	8.3
70.06590	7.1
71.04998	13.1
71.08641	3.5
72.08139	3.6
79.05502	53.0
81.03416	3.7
81.07061	100.0
81.07536	5.6
83.04993	8.4
83.08627	22.2
84.08143	9.6
85.06546	39.0
86.09649	3.3
91.05492	34.8
91.25433	2.4
93.07051	61.8
94.06609	2.2
95.04980	8.9
95.08614	56.8
97.02898	7.3
97.06546	10.8
97.10171	4.5
98.21507	2.8
98.97578	2.3
99.08085	10.4
105.07048	32.4
107.04982	3.6
107.08598	41.1
109.06503	3.5
109.10172	21.3
111.04524	3.0
111.08083	9.9
113.09635	2.9
117.07030	10.3
119.08600	29.1
121.06551	5.3
121.10154	61.5
123.08057	6.1
123.11692	5.5
129.06964	3.3
131.08548	15.8
133.10152	16.8
135.08083	4.4
135.11708	53.7
137.05949	4.4
137.09630	4.1
139.11147	2.6
143.08519	4.7
145.10155	15.7
146.06015	7.2
147.11703	16.2
149.09627	10.3
149.13249	17.6
151.11218	5.4
153.09134	3.4
155.03726	2.4
157.10127	5.2
159.11702	15.7
161.09627	2.9
161.13248	16.5
163.11198	14.4
163.14859	3.9
165.12750	3.8
167.10677	3.4
171.11682	11.4
173.13280	7.3
173.91092	2.5
174.05486	2.8
175.14836	9.3
177.12761	8.2
179.14359	4.4
181.12201	15.4
182.12604	2.7
185.13290	7.3
193.15825	3.5
195.13844	16.2
197.13206	4.1
197.92639	6.3
199.14819	3.4
241.19493	10.7
259.20605	19.6
277.14792	2.5
277.18372	5.2
277.21652	94.7
278.14648	5.3
295.09799	3.3
295.17532	4.1
295.23029	20.2
313.29727	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03940	5.2
55.01639	1.9
55.01879	24.8
55.05273	3.5
55.05515	45.3
57.03435	4.9
57.07066	9.0
59.04993	3.0
65.03944	2.2
67.05508	66.6
69.03423	6.9
69.07070	33.1
70.06615	2.9
71.04982	3.5
71.08641	38.0
73.02921	3.8
79.05494	40.6
81.03420	14.5
81.07062	65.9
82.07405	1.9
83.05002	15.3
83.08625	32.6
84.08157	2.8
85.06550	5.7
85.10182	7.6
86.09732	2.8
87.04470	3.0
91.05489	33.1
93.06489	3.8
93.07047	51.4
95.04992	13.7
95.08617	48.5
97.02907	4.1
97.06531	16.2
97.10175	20.0
98.97585	4.7
99.08112	36.9
105.07040	29.1
107.04951	7.4
107.08604	32.6
109.06522	6.2
109.10167	23.3
111.08092	24.3
113.09644	8.1
117.07050	5.2
119.08586	20.6
121.06508	4.4
121.10143	21.5
123.08084	7.8
123.11745	11.6
125.09621	14.0
129.06969	4.5
131.08572	7.5
133.10136	19.0
135.08069	4.2
135.11716	16.6
136.87677	2.4
137.09613	8.0
137.13330	2.2
139.11176	7.1
141.78499	2.1
143.08572	4.6
145.10121	5.8
146.05986	3.0
147.11702	25.1
149.09598	6.7
149.13287	15.1
151.11189	39.4
153.09200	2.5
153.12747	5.5
157.10130	4.5
159.11734	5.7
161.13275	16.1
163.11237	13.2
163.14716	4.1
165.12784	15.9
171.11665	3.9
173.13248	6.3
175.11169	3.5
175.14812	4.8
177.12689	2.4
179.14334	16.0
181.12286	3.3
185.13203	3.7
189.11186	10.4
199.14885	2.3
203.14413	2.5
231.21094	4.2
241.19548	7.8
249.22128	5.9
259.20587	13.5
277.21640	100.0
295.09680	2.3
295.22800	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1654
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
51.09971	0.2
65.03958	0.2
69.07082	0.4
70.06598	0.8
71.37599	0.4
72.08182	0.4
74.02448	0.5
84.08143	0.9
86.09708	4.9
91.05482	20.0
93.97969	0.2
101.33748	0.2
107.04957	0.6
109.06544	0.4
118.06547	0.9
119.04945	15.3
120.08132	0.3
121.06524	2.4
129.10263	0.5
130.08661	0.7
132.10191	2.0
134.14301	0.2
136.07579	100.0
137.07936	0.2
146.05975	0.3
147.04422	2.6
168.69519	0.2
174.05684	0.2
179.09807	0.2
249.16016	1.6
250.14354	0.7
278.13824	1.5
295.16483	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	295.1905
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
52.07055	0.4
53.03934	0.6
55.01868	6.6
55.05263	0.7
55.05508	5.8
57.03430	0.8
57.07058	1.4
57.58938	0.4
62.11747	0.5
67.05510	6.6
69.03422	0.9
69.07069	5.1
70.64357	0.8
70.64692	0.9
71.04984	0.4
71.08633	2.1
77.03945	0.5
79.05501	7.2
81.07059	30.9
83.04988	2.4
83.08627	2.7
85.06548	0.7
85.10159	0.4
88.03950	0.4
91.05497	3.4
93.07039	6.1
94.06582	0.6
95.04965	1.2
95.08607	6.5
97.06551	2.2
97.10175	1.3
99.08080	1.3
101.09655	0.5
105.07037	4.1
106.07497	0.4
107.08595	4.6
109.05804	0.9
109.06519	12.6
109.10162	2.9
111.04444	12.6
111.08096	1.4
119.08611	4.9
121.06575	0.7
121.10146	5.1
123.08070	1.8
123.11720	1.4
125.06017	3.8
125.09619	1.3
129.92943	0.5
131.08577	1.8
133.06464	0.8
133.10141	4.9
135.08052	1.9
135.11690	3.9
137.05981	100.0
137.13274	1.2
139.07475	0.7
139.11195	0.4
142.07794	0.6
143.08571	1.2
145.10123	1.6
146.06058	0.8
147.08017	0.6
147.11681	4.8
149.09641	2.9
149.13239	1.6
151.07513	2.4
151.11189	2.2
153.12631	0.6
157.10124	2.0
159.11711	1.0
161.09627	4.8
161.13258	2.4
163.11200	2.7
163.14796	1.0
165.09151	2.1
165.12732	1.3
167.10645	0.7
169.10170	0.5
171.11700	1.2
173.13286	1.0
175.11200	4.0
175.14879	1.2
179.10706	1.9
179.14273	0.5
185.13312	0.8
189.12756	1.2
193.12271	1.5
195.11919	0.4
203.17969	5.6
203.99652	0.6
205.19580	0.8
213.16409	2.1
221.19028	2.0
223.14827	1.1
231.15364	0.8
231.17485	9.2
241.15839	0.7
249.18512	11.4
259.20636	0.6
277.18008	50.9
277.21429	4.2
295.18945	5.9
295.22678	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	295.1904
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.03937	1.4
55.01867	6.2
55.05516	4.8
57.03419	0.8
57.07061	1.4
67.05505	6.5
69.03416	1.3
69.07059	4.0
70.06572	0.8
70.10479	2.1
70.56185	0.5
71.04992	1.0
71.08650	2.8
79.05496	7.2
81.03353	0.6
81.07058	29.2
83.04986	2.7
83.08614	2.6
84.08115	0.7
85.06546	0.9
86.09700	0.6
91.05470	2.9
93.07050	5.1
95.04958	1.7
95.08612	6.7
96.04494	0.8
97.06522	2.2
97.10170	1.1
98.20866	0.6
99.08091	2.1
105.07023	3.8
105.77797	0.5
107.08601	4.1
109.06511	11.3
109.10156	3.8
111.04443	11.4
111.08070	1.4
117.07043	1.2
119.08569	4.4
121.06516	0.7
121.10147	3.9
123.08076	1.5
123.11743	1.2
125.06013	3.9
127.11046	0.5
128.06165	0.6
130.00557	1.8
131.08560	1.9
132.00313	0.7
133.10146	4.1
135.08064	2.2
135.11703	3.8
137.05980	100.0
137.13255	1.4
139.07552	0.8
139.72563	0.5
143.08578	1.5
145.10133	2.1
146.05974	0.9
147.08063	1.5
147.11687	4.1
149.09590	3.5
149.13255	2.2
151.07545	2.0
151.11185	2.3
157.10097	1.6
159.11720	1.4
161.09656	4.2
161.13266	2.4
163.11241	2.6
165.09129	2.0
165.12761	1.1
167.10654	0.8
169.10149	0.9
171.11731	1.8
173.13306	0.9
175.11150	3.1
175.14862	1.1
177.09119	0.5
177.12761	0.6
178.01711	1.0
179.10710	1.2
179.14333	1.1
181.12230	0.7
185.13322	0.6
189.12761	1.2
193.12326	1.2
199.14711	0.6
203.17926	4.6
205.19514	1.1
207.03181	1.2
207.13785	0.6
213.16393	2.3
221.18967	1.3
223.14835	0.7
231.17467	7.9
241.15929	1.3
249.18506	10.2
259.20621	0.9
277.17990	48.7
277.21436	3.7
295.18710	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	295.1292
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
52.39895	0.2
55.05509	0.7
55.72653	0.2
56.05037	0.9
56.77789	0.2
57.03427	0.3
60.04541	0.4
65.24987	0.2
67.05509	0.3
69.03426	0.7
69.07076	0.6
70.06585	2.1
70.65260	0.7
72.08163	2.4
73.02852	0.2
74.06096	0.6
79.05481	0.3
84.04512	5.0
84.08152	6.5
85.02915	0.8
85.08477	0.7
86.09722	5.6
88.03994	0.5
91.05479	1.5
93.07047	1.7
94.06567	0.3
97.02904	0.4
98.97581	0.3
102.05561	2.0
103.05475	5.2
107.05003	0.3
110.06036	0.3
110.07182	0.9
112.08749	0.5
116.98649	0.3
119.04981	0.7
120.08115	100.0
121.06545	0.3
121.08458	0.8
122.09692	0.3
129.10252	2.8
130.05013	2.1
130.08691	0.3
130.10634	0.2
131.04956	0.4
134.04515	0.2
134.05992	0.2
136.07565	1.0
143.11777	0.3
147.04448	1.9
148.04854	0.5
148.06062	9.5
150.07837	0.5
182.01210	0.2
197.40636	0.3
220.10429	0.6
248.09145	0.6
249.12421	0.7
260.09326	0.3
277.11823	1.0
295.13040	12.8
295.16580	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1291
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
55.05521	0.6
56.04831	0.4
56.05038	4.4
59.32261	0.4
60.04522	0.4
64.60509	0.5
67.05500	0.6
69.03416	0.7
69.07076	0.7
70.06597	2.8
70.90223	1.0
70.90562	0.7
72.08147	1.8
73.65443	0.5
83.13096	0.4
84.04508	54.4
84.08150	4.4
85.02897	1.5
86.09709	22.0
87.10067	0.6
91.05485	2.5
93.07041	0.7
97.02944	0.5
98.09680	0.6
100.59664	0.5
102.05540	9.6
103.05476	2.4
107.04954	1.2
110.07168	0.6
119.04974	1.7
120.08109	100.0
121.08424	0.5
129.10246	1.7
130.04971	0.8
131.04930	1.3
136.07582	1.5
146.06036	0.7
146.28915	0.4
147.04408	7.1
148.07628	0.6
149.06010	1.4
150.07802	0.5
161.22397	0.5
164.21585	0.6
165.05467	1.0
166.08647	43.8
177.06310	0.4
182.08157	2.6
186.09113	4.2
231.07899	0.7
231.11282	32.5
259.10785	3.0
277.11844	37.0
295.13077	1.2
295.16617	2.7
295.19867	0.5
306.55820	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1026
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03949	3.4
55.01879	12.3
55.05502	3.6
57.03444	24.9
57.47239	1.1
59.05004	3.5
61.02929	8.9
67.05509	6.3
68.39560	1.0
69.03437	68.7
69.07080	5.8
69.26285	5.9
69.26689	2.9
70.06596	3.6
71.01366	5.8
71.05000	3.7
73.02927	26.1
79.05505	9.6
81.03423	14.7
81.07066	11.9
83.04989	3.0
83.08617	2.3
84.08159	3.7
85.02912	96.1
85.06543	2.4
86.09706	1.8
87.03948	1.2
87.04478	20.3
91.05486	5.2
93.07054	5.7
94.06607	1.4
95.04999	3.3
95.08610	10.3
97.02901	56.3
97.06519	1.4
98.21548	2.5
98.97555	1.2
99.04469	12.5
101.02381	2.2
102.96872	1.4
103.03946	8.4
103.05498	6.4
105.07041	56.8
107.04965	5.2
107.08613	4.5
109.02897	8.0
109.06525	2.0
109.10165	7.0
111.04465	2.9
115.03945	37.1
115.05453	8.4
117.05490	2.3
118.04134	2.4
119.04959	3.1
119.08599	4.2
120.08059	1.4
121.06528	3.8
121.10181	3.8
123.04456	4.8
123.11689	2.7
125.02375	1.0
125.06084	1.4
127.03931	21.2
131.04897	1.8
132.05716	1.2
133.04982	49.9
133.06505	41.9
133.10133	3.1
135.08087	1.2
135.11678	2.8
137.06029	1.4
137.09610	1.4
139.03929	2.0
143.06071	2.9
145.04974	29.4
145.10152	1.6
146.06071	1.7
147.04419	2.6
147.08003	2.0
147.11682	1.7
149.05991	1.5
151.03951	1.2
157.10194	1.3
161.05995	100.0
161.13164	1.1
163.06039	3.5
165.05472	1.8
169.04999	4.6
169.06374	1.8
175.07567	1.0
175.14737	1.2
181.04942	1.4
186.06795	3.0
199.06036	2.3
201.09129	3.4
217.07309	1.3
223.06000	1.6
229.07083	1.3
235.11279	1.5
240.11960	1.4
241.07056	4.1
259.08099	3.3
260.63367	1.4
263.10760	1.3
265.61987	1.3
277.09235	6.2
277.15067	1.1
277.21692	2.9
295.10019	2.6
295.13272	5.4
295.26318	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	295.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.7
60.04511	1.4
64.86976	0.4
68.99780	1.0
69.03406	1.6
69.07066	0.5
70.02589	0.7
70.02953	8.5
70.06604	2.2
70.08642	1.9
71.04982	0.5
72.08141	0.9
74.02439	3.1
74.06053	0.6
81.03416	0.6
84.04494	2.0
84.08134	2.4
85.02884	2.6
86.02412	1.8
86.09708	4.2
87.00826	1.9
87.04465	0.6
88.03992	37.5
88.89729	0.5
91.05458	1.0
92.05009	0.9
94.06569	43.4
95.04951	0.7
97.02887	1.8
98.02405	1.0
98.09695	0.5
98.21630	0.4
99.00815	5.1
104.03467	12.4
104.04969	3.5
110.06100	0.5
110.07092	0.7
110.17150	0.5
115.03916	1.3
116.03456	1.9
118.06532	2.4
119.04917	0.6
119.08635	0.4
120.04469	9.2
120.08110	1.6
122.05997	0.6
127.03874	0.5
128.05022	0.9
129.10222	1.7
130.05002	2.3
132.04459	5.4
133.04965	1.4
134.09518	0.4
136.07591	3.3
145.05013	0.9
146.06009	100.0
147.04396	1.3
150.05508	4.3
150.46777	0.5
153.43152	0.4
156.02946	3.9
158.04491	1.7
163.08691	1.8
164.07138	0.7
174.03987	14.6
174.05521	43.0
184.02414	0.4
187.14297	0.5
191.08153	0.6
192.06569	7.2
195.02875	0.7
196.07970	0.5
202.03468	17.7
204.11000	0.7
209.09137	0.6
233.09323	1.2
245.16589	1.2
259.07388	0.6
277.08154	3.3
277.19083	1.9
295.05963	2.2
295.09277	2.8
295.17081	2.4
295.20358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	1.7
53.03938	2.3
55.01873	2.7
55.05511	6.2
57.03439	20.4
57.07089	1.6
59.05007	3.3
61.02927	6.6
67.05499	10.2
68.08679	1.4
69.03434	100.0
69.07063	9.0
70.06590	2.6
70.14647	2.8
70.15047	3.6
71.01348	3.4
71.04992	4.4
71.08665	1.5
71.48003	1.2
72.08170	2.5
73.02915	9.1
76.58508	1.6
79.05490	4.9
81.03420	18.4
81.07047	14.9
83.01346	1.9
83.04994	3.7
83.08629	3.7
84.08150	6.9
85.02909	58.9
85.06504	2.4
86.09708	3.4
87.04474	32.9
91.03966	1.8
91.05489	5.4
93.07073	9.2
95.04977	4.3
95.08604	12.8
97.02896	57.9
97.06513	2.2
97.10185	1.8
98.21467	2.3
99.04464	17.3
99.08078	1.7
102.05560	1.7
102.96889	3.3
103.03941	11.1
105.07030	7.2
107.08601	6.2
108.39367	1.5
109.02880	6.2
109.06563	3.9
109.10153	10.9
110.37215	1.4
111.04431	3.3
111.08073	2.1
113.09617	2.0
115.03933	52.0
117.05503	2.3
119.04947	1.9
119.08580	6.7
119.87142	1.5
120.06594	1.9
120.08121	2.9
121.06551	3.3
121.10164	4.7
123.04459	5.0
123.11729	6.3
125.02303	1.7
125.09641	1.5
127.03910	16.6
129.05463	1.5
131.00089	2.2
133.04971	57.5
133.10146	4.0
134.06015	2.5
135.04463	2.4
135.11662	2.6
136.07614	2.0
137.13240	1.6
139.03967	3.1
140.98499	2.1
145.04965	33.1
146.05945	3.3
147.08125	2.5
147.11681	2.9
148.11337	1.7
151.03928	3.5
151.11028	1.6
154.99992	3.1
157.01648	2.6
159.11703	2.1
161.04483	6.0
161.13269	2.4
165.05507	1.7
167.00079	1.8
169.04948	9.5
176.10689	11.2
181.01768	1.6
187.06067	3.2
193.05002	2.4
199.06192	2.0
205.07040	2.8
209.08354	1.9
217.07039	1.7
223.06067	2.1
229.07201	1.9
236.07050	4.3
241.07062	7.2
259.07990	7.4
277.08957	12.0
277.21527	3.5
295.12280	27.4
295.23239	2.4
295.26382	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	294.145
Annotation	Gln Phe
Peak:m/z	Relative Intensity
53.80375	0.5
56.03077	0.6
56.05037	8.0
65.06401	0.6
70.06599	6.5
70.74673	1.2
70.75009	1.2
72.08162	0.8
73.12949	0.7
74.06075	1.3
81.07104	0.7
83.06108	66.6
84.04507	67.3
84.08150	8.3
85.02886	1.7
86.09711	4.4
87.55734	0.6
91.05471	0.7
93.07056	0.9
95.01334	0.8
97.02889	1.8
101.07150	9.5
103.05450	1.7
107.04946	1.0
110.07127	0.6
112.05121	1.5
112.08746	0.8
119.04977	0.6
119.07337	0.8
120.08110	100.0
129.06619	2.5
129.10251	2.4
131.04922	2.1
136.06172	0.7
143.11829	0.7
147.04428	0.8
149.05997	1.1
166.08646	39.7
166.67978	0.7
183.07135	0.7
184.28059	0.7
186.09128	7.0
187.10831	0.7
214.08565	0.7
230.12900	6.2
231.11296	27.8
232.09747	2.6
236.31779	0.6
252.27278	0.6
259.10803	3.5
276.13446	74.3
277.11826	38.1
294.03784	1.8
294.10318	0.6
294.13937	4.2
294.17914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2066
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
53.03964	0.2
55.01874	0.3
55.05514	0.4
57.07074	0.6
67.05522	1.1
67.05821	0.2
68.05836	0.2
69.07054	0.4
69.57008	1.1
71.08614	0.3
79.05505	1.3
81.07059	3.0
82.07369	0.4
82.93025	0.2
83.08604	0.3
84.08143	0.2
91.05473	0.9
92.05819	0.3
93.07038	0.3
94.04169	1.7
95.04947	0.3
95.08616	0.6
96.08929	0.3
97.06532	0.2
100.07566	0.4
105.07028	0.8
106.07350	0.4
107.04947	0.6
107.08602	1.0
108.08942	0.3
109.06483	0.4
109.10152	0.5
110.06065	0.2
110.10497	0.2
119.08576	0.2
120.08903	0.3
122.03653	6.5
123.11704	1.6
123.92167	0.2
133.10094	0.3
134.10471	0.4
137.05980	100.0
138.06314	0.3
146.10477	0.2
149.26210	0.2
158.15430	1.7
170.15421	2.2
258.19412	0.3
276.20334	1.4
287.50549	0.2
294.21002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1448
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
52.75282	0.3
55.05519	0.4
56.05027	1.0
56.96547	0.6
57.85074	0.3
61.64146	0.3
67.05495	0.4
69.03437	0.4
69.88193	1.4
70.06600	2.0
72.08141	1.1
73.02911	0.4
84.04507	19.2
84.08144	26.6
85.02886	0.7
86.09696	0.9
91.05470	0.8
93.07069	1.6
94.63178	0.3
97.02893	0.8
98.97581	1.4
101.07139	2.5
102.05526	0.8
103.05473	5.5
105.07043	0.4
107.08613	0.4
110.07119	0.5
112.07658	0.4
119.08611	0.4
120.08106	100.0
129.10254	2.8
130.05003	34.5
130.08711	0.6
131.04924	2.0
131.08578	0.6
133.06400	0.4
145.05061	0.3
145.10120	0.5
147.07651	41.8
147.11371	0.8
148.07727	0.3
149.09618	0.5
158.99559	0.4
159.11694	0.8
165.10240	3.4
166.67014	0.3
169.04437	0.6
173.09639	0.7
175.11163	0.4
185.09592	0.5
186.09128	0.5
187.11128	0.4
203.10738	0.3
219.01758	0.6
219.10185	1.0
242.12706	0.4
249.12108	0.6
259.10852	0.9
260.09314	1.2
276.13568	0.6
277.11890	7.4
277.15277	0.6
294.14230	17.1
294.18066	2.1
317.66519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.05499	7.5
57.07065	4.9
57.41203	1.6
58.43735	1.6
60.17424	1.6
63.15704	1.5
67.05508	83.4
69.07076	8.9
69.19936	14.6
69.20345	4.0
79.05474	10.2
81.07059	100.0
83.08607	3.9
85.06543	2.0
91.05466	6.7
93.07055	11.8
94.49936	1.4
95.08607	72.5
97.06506	2.8
97.10161	4.3
98.21527	3.6
105.07024	4.6
107.08588	9.1
109.10161	44.4
113.51274	2.0
117.06979	2.5
119.08572	4.9
121.10133	10.1
123.11700	28.6
131.08551	4.5
131.70419	1.8
133.10143	4.6
135.11659	4.7
137.09656	2.3
137.13269	12.3
145.10184	4.2
147.11671	2.5
149.13255	3.8
151.14865	4.1
153.05481	2.0
153.12650	2.0
159.11696	4.2
163.14822	2.5
165.12791	1.5
170.83891	1.7
173.07753	1.7
173.13211	3.9
177.12704	2.6
179.14282	2.0
181.04889	3.7
187.14819	3.0
191.10628	3.0
195.33435	1.7
209.11784	6.0
237.11240	9.4
237.18365	2.4
239.48280	1.7
243.21013	5.1
261.22156	8.2
293.17441	3.0
293.21497	3.2
293.24728	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01869	1.2
55.05500	1.5
56.05020	2.3
56.96558	1.9
57.03423	1.0
60.04500	0.8
67.05494	1.3
69.03439	3.2
69.07051	1.0
70.06596	5.8
71.04993	0.7
71.23873	0.8
72.08166	4.0
74.06068	1.4
79.05467	1.8
81.07068	0.7
84.04509	9.4
84.08150	46.1
85.02908	3.1
85.08446	0.5
86.09708	5.0
88.03996	1.4
91.05466	5.0
93.07056	4.1
95.04968	1.3
95.08609	2.8
96.67518	0.6
97.02901	3.2
98.05977	0.6
98.97594	3.3
99.04441	1.8
101.07137	0.8
101.10788	0.9
102.05520	1.2
103.05450	2.6
105.07033	6.2
107.04929	1.0
107.08605	6.3
109.06560	0.9
110.06005	1.2
110.07174	1.4
110.97565	0.7
112.08720	0.9
115.05436	0.7
117.07039	2.9
119.04935	1.2
119.08587	8.4
120.08113	43.1
121.06510	3.4
121.10143	3.8
122.07238	0.8
123.08062	2.3
125.02261	0.6
128.06271	0.9
129.06944	2.4
129.10242	7.4
130.05008	12.2
130.07745	1.3
130.08633	2.1
131.08563	9.4
133.06465	2.2
133.10156	2.9
135.08066	8.3
135.11713	2.8
136.07555	1.2
137.06024	1.3
137.08394	0.6
139.06331	0.7
141.06990	1.3
142.07724	1.9
143.08543	1.3
144.09357	1.8
145.06493	2.1
145.10126	7.3
146.07268	1.0
147.04449	1.5
147.07652	14.1
147.11671	5.3
149.05989	0.6
149.09619	6.7
150.09105	0.9
151.07539	1.7
155.08557	0.7
157.06459	0.7
157.10101	2.8
158.07219	1.9
159.08144	4.2
159.11705	9.9
160.07587	0.6
160.08846	1.2
161.06010	0.7
161.09598	5.7
163.07617	2.7
163.11208	5.3
165.05486	1.9
169.10075	0.8
172.08839	1.9
173.02876	0.6
173.09637	12.0
174.09155	0.9
175.07513	2.6
175.11179	7.4
176.08302	0.7
177.09116	3.2
177.12775	1.1
179.07085	3.8
185.09604	5.3
187.11182	8.3
189.09035	1.7
191.10701	8.4
193.08621	0.6
195.08815	0.7
201.09099	2.2
203.06993	1.2
203.10678	3.8
205.12231	3.4
213.09047	1.9
219.01715	1.2
219.10188	23.8
221.08083	1.5
221.11646	1.1
231.10132	4.0
231.14793	0.7
248.12840	0.9
249.11205	2.1
259.09674	1.8
276.12259	0.6
277.10675	4.1
277.15274	1.1
294.13358	100.0
294.18347	3.6
295.12845	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03939	5.3
55.01870	6.3
55.05514	24.4
55.51809	2.2
57.03441	17.6
57.07070	6.8
59.04991	2.6
61.09125	2.1
64.91586	2.4
67.05180	3.6
67.05508	47.7
69.07072	19.3
71.04987	2.9
71.08632	2.5
71.37954	3.6
79.05500	38.6
81.03452	11.5
81.06588	5.0
81.07060	81.3
83.04980	8.9
83.08631	11.0
85.06548	7.9
87.22046	2.3
87.70220	2.1
91.05486	38.4
93.07050	42.1
95.04964	9.7
95.08620	35.1
97.06551	11.8
97.10163	3.4
99.04486	6.1
105.07041	38.3
107.04948	7.4
107.08594	23.8
109.06521	26.0
109.10163	13.7
111.04417	11.7
111.08103	6.1
111.46385	2.7
117.07032	12.0
119.08601	24.0
121.06517	6.2
121.10175	18.5
123.04439	2.4
123.08092	7.3
123.11731	5.5
129.07001	5.3
130.88097	2.2
131.08542	19.1
133.10147	22.8
135.08011	5.4
135.11714	12.8
137.09602	9.5
143.08578	3.8
145.10104	14.0
147.11694	12.3
149.09621	11.7
149.13277	5.4
151.11159	3.7
159.11720	7.0
161.13284	3.9
163.11269	6.4
163.14812	4.1
165.09183	4.4
169.10164	3.5
173.13277	4.7
175.11113	3.7
177.12646	3.3
179.14276	3.3
181.04973	2.4
183.11806	2.8
185.13185	4.7
187.11209	2.6
197.13182	2.5
201.16396	5.9
203.14339	6.7
209.11662	4.0
209.15370	2.7
213.88673	2.3
216.09959	2.6
219.17448	100.0
229.19510	4.3
237.11287	6.2
246.59230	2.5
247.20668	7.1
265.21558	4.6
268.44553	2.8
275.20074	68.5
293.21112	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2476
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03954	1.5
54.14638	0.7
55.01894	1.0
55.05519	10.0
57.07080	2.4
63.64689	0.6
63.72485	0.7
65.03941	2.9
67.05511	91.6
69.03442	0.9
69.07075	9.9
69.22588	3.9
69.23023	2.8
79.05504	16.8
79.79158	0.6
80.46297	0.6
81.07064	100.0
83.04984	1.5
83.08620	6.5
85.06557	2.7
85.10180	0.7
91.05486	6.0
93.07051	15.2
95.04971	1.5
95.08616	88.4
97.06532	2.6
97.10181	3.0
101.06031	0.8
105.07044	6.5
107.08604	10.3
109.06506	1.9
109.10169	31.7
111.04401	0.7
111.08099	1.7
113.09644	1.1
115.07590	0.9
117.07039	4.0
119.08596	6.0
119.54729	0.8
121.10143	11.3
122.04634	0.7
123.08083	2.8
123.10835	1.0
123.11720	18.1
125.09631	1.4
129.09129	1.2
131.08569	7.9
133.10185	4.3
135.08060	1.7
135.11702	7.8
137.09605	3.2
137.13260	10.1
143.08543	1.1
145.10170	5.6
147.11664	5.3
149.09631	3.3
149.13297	4.9
151.11163	0.8
151.14827	5.1
159.11742	4.7
161.13225	3.3
163.11208	3.6
163.14891	3.8
165.12781	1.3
165.16370	1.6
169.10132	1.0
173.13249	7.5
175.14761	0.8
177.12721	3.9
177.16348	1.8
179.14287	2.8
187.14856	3.9
191.14238	2.6
195.13815	0.8
205.15858	1.6
209.11700	1.1
209.15381	1.5
219.21017	1.1
223.16885	1.4
233.22609	1.3
237.11211	3.3
237.18481	1.5
243.21117	8.1
257.19095	1.0
261.22122	9.3
275.20132	4.3
293.21588	1.1
293.24734	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2116
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03947	5.3
55.01878	8.9
55.05517	33.9
55.79126	2.1
56.96570	6.1
57.03436	7.3
57.07079	6.2
58.84834	2.0
58.93191	2.1
59.05016	4.2
60.27009	2.2
62.17767	2.2
65.03945	2.4
66.02809	2.1
67.05180	3.9
67.05515	57.2
69.03451	14.9
69.07079	30.9
70.06599	17.3
70.07397	2.6
71.05000	19.0
71.51534	3.2
72.08172	3.3
79.05500	50.9
80.05045	2.3
81.03433	7.2
81.06590	5.4
81.07066	100.0
82.07393	5.0
83.04985	10.6
83.08627	12.5
84.04476	5.2
84.08150	16.6
85.02917	4.2
85.06560	25.0
86.09715	9.6
91.05492	47.3
93.07056	73.4
95.04981	13.9
95.08620	88.4
97.02877	5.0
97.06538	16.7
97.10161	5.5
98.06064	2.2
98.09711	15.6
98.97601	10.3
99.04459	8.1
99.08097	3.8
105.07047	70.5
107.04973	6.6
107.08610	94.0
108.05778	2.6
109.02889	5.2
109.06536	26.7
109.10168	50.8
111.08099	10.6
113.09645	14.8
116.98643	3.5
117.07004	13.3
119.04973	3.0
119.08596	69.5
120.08122	9.5
121.06512	36.0
121.10155	83.0
123.08086	51.0
123.11725	28.1
124.07631	2.5
125.06010	5.1
125.09638	11.6
128.06244	4.2
129.07040	6.6
131.08600	30.1
133.10149	50.2
135.08073	96.4
135.11703	32.4
136.07619	4.4
137.06001	3.5
137.09642	49.1
137.13268	7.3
139.07628	2.7
139.11200	8.7
140.14337	3.1
141.09097	3.0
143.00154	2.8
143.08609	10.9
145.06506	6.4
145.10121	38.0
147.04424	10.0
147.08084	11.0
147.11713	28.0
149.09644	42.6
149.13264	11.9
151.11182	5.6
153.09091	3.1
155.08522	3.6
156.09357	2.7
157.10121	16.3
158.07335	2.8
158.10899	4.4
159.08134	12.5
159.11713	32.9
160.08786	3.1
160.12526	2.6
161.09642	15.3
161.13278	20.0
163.11203	30.4
165.09122	34.0
165.12770	4.3
167.10715	9.3
169.10150	2.9
171.11696	10.6
173.09654	12.7
173.13293	23.7
175.11174	14.9
175.14893	16.5
177.12753	4.7
179.10660	5.9
183.11716	5.9
185.13242	7.0
186.10379	2.4
187.11221	8.2
187.14827	13.1
189.12738	8.5
189.16422	3.6
191.14342	3.3
197.13281	5.6
199.14813	13.5
201.00760	3.3
201.12817	6.7
203.14430	3.1
205.12212	2.9
213.16505	2.8
215.14368	6.1
215.17932	18.5
217.15982	10.9
219.13791	4.9
221.08176	2.7
227.17984	4.1
229.19559	6.7
233.09111	2.8
233.15364	3.1
233.19044	15.9
235.16893	4.4
239.17924	6.9
245.19044	6.0
247.20605	3.6
249.16774	8.4
256.09589	6.2
257.19034	21.1
258.15665	2.8
261.08856	6.5
262.09918	3.8
263.20120	16.1
265.06900	5.4
275.05197	2.7
275.20102	72.5
275.23190	3.5
276.19910	2.7
278.09079	2.2
293.06396	9.2
293.11142	2.8
293.13986	7.2
293.21326	51.1
304.18964	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	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03945	5.3
55.01629	1.5
55.01870	14.1
55.05511	27.1
57.03439	4.6
57.07073	12.7
59.04997	1.1
65.03931	2.3
66.59949	0.7
67.05505	56.8
68.99789	1.0
69.03410	2.8
69.07069	24.8
69.21717	2.1
69.22119	4.9
71.04983	8.3
71.08617	2.5
79.05492	35.4
80.93391	0.8
81.03419	19.6
81.07056	59.6
83.04980	12.4
83.08622	16.1
84.08150	0.9
85.02913	1.1
85.06531	10.3
85.10178	2.5
91.04904	1.3
91.05482	36.1
93.07046	37.5
93.07637	1.8
93.66732	1.0
95.04967	26.2
95.08607	40.0
97.02884	3.0
97.06537	7.6
97.10161	5.0
99.04469	2.5
99.08079	3.5
105.07030	34.8
106.73144	0.8
107.04951	13.5
107.08593	33.5
109.06528	10.2
109.10157	29.1
111.04441	11.4
111.08067	7.6
113.06041	1.1
113.09612	2.2
117.07008	11.1
119.08585	22.1
121.06515	8.1
121.10139	15.9
123.04443	5.6
123.08067	20.6
123.11699	7.3
125.05972	2.1
125.09648	5.6
127.07584	2.2
127.11091	0.9
129.07007	2.7
131.08574	14.8
133.06487	2.5
133.10129	30.9
135.08058	7.3
135.11685	11.9
137.06021	1.0
137.09612	53.5
137.13252	1.1
139.11172	1.5
140.83708	0.8
141.09166	0.9
143.08556	1.9
145.06482	2.0
145.10107	14.0
147.08075	1.6
147.11684	10.8
149.09627	12.3
149.13231	5.3
151.11185	23.6
153.09065	1.0
153.12775	4.0
155.08548	1.6
157.10143	2.9
159.08122	1.4
159.11708	9.3
161.09621	3.0
161.13252	3.7
163.11183	10.1
163.14767	4.6
165.09105	11.4
165.12721	3.5
167.10655	4.0
169.10127	1.8
169.12270	3.4
171.11714	2.3
173.09636	2.5
173.13197	7.7
175.11209	2.6
175.14911	1.7
177.05415	0.9
177.12788	6.2
177.16397	1.6
179.10701	2.4
179.14290	1.0
181.04854	1.5
181.12260	2.4
183.11731	3.0
185.13310	1.2
187.11201	2.7
187.14870	2.2
189.12804	1.3
191.10760	1.6
191.14249	4.3
193.12253	2.3
195.13751	1.1
197.13307	1.4
201.12784	2.0
205.12181	1.7
205.15997	1.4
205.19481	1.3
207.13828	1.9
209.11754	4.7
215.17986	1.6
219.13876	1.1
219.17529	1.1
219.21049	1.7
223.13239	1.8
223.20601	1.0
229.19492	6.1
231.17590	0.9
233.18997	1.5
237.11188	5.9
237.14792	1.5
239.17963	3.1
247.20607	13.8
251.20061	1.2
257.19019	11.7
262.87811	0.9
265.21619	2.7
275.20062	81.8
293.21121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	4.0
55.01879	17.6
55.05272	1.9
55.05516	25.9
57.07077	1.7
64.81429	1.2
65.03941	2.3
67.05509	32.6
69.03419	2.7
69.07080	18.1
70.68810	2.2
70.69164	3.0
71.05003	3.2
79.05496	43.8
81.03408	5.7
81.07058	26.8
83.04971	6.3
83.08617	10.4
85.06510	1.7
91.05488	28.3
93.07050	23.3
93.63390	1.5
95.04997	7.1
95.08613	20.7
97.06533	25.5
97.10168	15.8
99.08102	2.1
105.07037	33.9
107.04974	8.4
107.08601	79.2
109.06510	4.7
109.10163	8.4
111.08076	2.1
117.07026	7.1
119.06108	1.8
119.08586	16.8
121.06477	2.9
121.10128	9.8
123.04448	2.5
123.08059	6.3
123.11722	4.6
125.09644	17.2
129.07011	1.8
129.83676	1.3
130.07800	1.6
131.08578	12.6
133.06509	1.7
133.10139	23.5
135.08087	4.7
135.11703	6.7
137.05974	13.2
137.09628	2.6
143.08563	1.9
145.10135	11.1
147.11697	16.1
149.09628	14.8
149.13232	2.3
151.11180	4.4
157.10144	3.3
159.11691	9.3
161.13287	4.1
163.11191	6.2
165.09071	3.5
165.82887	1.4
169.10124	2.4
171.10170	2.2
171.11719	2.8
173.11818	1.9
173.13292	4.6
177.12709	3.8
181.12386	1.8
183.11674	3.0
187.11194	2.3
187.14867	2.2
189.11261	10.8
197.09875	1.4
229.19440	2.4
239.17966	6.8
247.20592	5.6
257.19006	11.1
275.20081	100.0
293.21191	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.02391	1.2
53.03936	3.9
54.93729	1.3
55.01877	9.2
55.05511	17.4
55.08504	1.3
57.03443	17.4
59.04983	1.7
65.03928	2.1
67.05506	27.6
69.03431	1.5
69.07072	14.6
70.56820	3.8
71.04993	2.3
79.05495	46.1
80.86051	1.2
81.03410	1.8
81.07059	33.5
83.04977	2.9
83.08615	11.9
85.06532	5.4
91.05479	38.8
93.07044	45.7
95.04986	10.6
95.08605	20.8
97.06535	10.4
97.10179	8.0
99.08075	2.7
103.05419	1.5
105.07031	43.1
107.04942	5.4
107.08596	57.2
109.06515	10.0
109.10143	9.4
111.08083	3.5
111.75589	1.3
115.05497	1.2
117.07013	11.7
119.06097	1.2
119.08587	34.3
121.06491	3.9
121.10151	13.6
123.08064	4.8
125.09620	9.8
129.06976	4.9
131.08578	17.4
133.10129	22.9
135.08035	7.0
135.11694	4.8
137.09615	2.6
141.07040	1.5
143.08551	4.4
145.10139	14.8
147.11682	14.9
149.09627	11.0
149.13217	2.3
151.11214	3.6
157.10121	5.6
159.07948	1.4
159.11691	16.1
161.09676	2.2
161.13275	9.0
163.07625	1.3
163.11143	5.1
169.10167	2.1
171.11710	2.2
173.13226	6.1
175.11223	1.9
175.14825	2.6
177.05469	18.1
177.12703	2.7
178.06223	12.6
183.11678	4.5
185.13258	16.0
187.11223	2.7
189.11220	5.6
191.06993	6.0
191.14285	2.7
197.13290	2.3
201.16371	4.7
203.14317	13.6
203.55089	1.3
205.12219	2.6
219.14006	1.8
219.17447	27.8
221.15372	18.1
229.19530	1.7
233.11752	24.9
237.15068	1.7
239.17970	7.1
247.20567	3.7
257.19028	18.4
259.45770	1.5
275.20059	100.0
293.21237	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03938	5.1
55.01878	9.7
55.05268	2.0
55.05513	23.7
55.56402	1.1
57.03433	2.0
57.07078	3.0
59.05004	1.2
65.03938	2.0
67.05508	33.2
69.03424	2.9
69.07072	23.3
71.04982	3.4
71.25226	1.9
77.18625	1.1
79.05496	36.5
81.03444	6.3
81.07061	53.5
83.04990	7.0
83.05421	1.3
83.08620	13.5
84.09235	1.1
85.06550	3.5
89.70723	1.2
91.05489	24.7
91.98109	1.2
93.07052	26.1
95.04968	9.8
95.08606	29.2
95.09180	2.1
97.06532	15.3
97.10168	12.5
99.08109	2.4
102.68102	1.2
105.07037	31.6
107.04961	6.4
107.08603	39.4
109.06516	14.1
109.10157	13.5
109.80148	1.1
111.08083	3.9
111.11697	1.4
113.54901	1.2
115.05497	1.7
117.07023	9.5
119.08586	17.9
121.06512	4.3
121.10152	14.3
123.04447	1.1
123.08102	7.7
123.11713	6.4
125.09636	9.4
127.07448	1.3
128.06227	1.2
129.07001	2.4
131.08575	12.3
133.06467	2.0
133.10139	22.1
135.08076	4.9
135.11694	8.3
137.06116	1.3
137.09630	5.6
137.13280	2.8
139.11255	1.9
140.40775	1.4
141.07018	1.5
143.08601	3.5
145.10124	14.1
147.08173	1.3
147.11682	13.4
149.09628	13.5
149.13263	4.8
151.11203	5.6
155.08563	1.4
157.10159	3.8
159.11658	10.1
161.13257	3.6
163.11166	9.6
163.14832	1.9
165.09131	2.6
165.12764	3.1
169.10155	2.9
171.10242	1.4
171.11678	2.4
173.13214	7.4
175.11156	2.6
175.14864	1.6
177.12759	3.7
183.11736	2.4
187.11220	3.4
189.11243	6.6
189.12706	1.6
193.12103	1.3
197.13310	2.2
201.12738	1.5
215.14374	1.9
215.17894	1.4
229.19484	3.8
233.19055	1.5
239.17929	4.5
247.20735	5.7
257.19006	13.7
275.20074	100.0
293.17813	1.8
293.21201	29.5
293.24518	1.0
293.28278	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	4.7
53.98661	1.2
55.01875	16.7
55.05516	31.7
57.03441	3.5
57.07074	3.7
59.04989	3.9
65.03934	1.9
65.35193	1.2
65.57632	1.3
67.05510	37.2
69.03436	3.3
69.07077	34.1
70.06586	1.9
70.79265	1.3
70.90267	2.0
70.90591	1.4
71.05004	2.1
71.08632	3.4
79.05502	45.3
81.03416	5.9
81.06593	2.6
81.07062	49.1
83.04984	5.8
83.08631	19.9
84.08166	2.3
85.06536	2.2
91.05486	35.0
93.07053	34.4
95.04977	9.0
95.08614	38.1
96.04502	10.8
97.04827	5.3
97.06532	19.7
97.10184	20.7
99.08073	1.6
103.05469	1.8
104.45526	1.5
105.07039	38.0
107.04960	8.7
107.08600	75.8
109.06528	12.7
109.10175	17.3
111.08106	5.7
111.11719	2.7
112.34643	1.2
113.09612	1.8
117.07043	8.1
117.36459	1.4
119.08585	22.3
121.06500	11.6
121.10142	16.4
123.08079	5.7
123.11730	8.5
125.09639	13.4
128.06235	1.5
129.07004	3.6
131.08574	15.3
133.06517	2.0
133.10138	23.7
135.08066	6.4
135.11700	12.7
137.09627	3.9
137.13277	5.2
141.06995	1.6
143.08533	3.5
143.10747	1.4
145.06517	2.3
145.10143	14.3
147.08041	4.7
147.11694	16.2
149.09637	19.4
149.13248	7.9
151.11203	5.3
151.14839	1.8
155.08574	2.5
157.10117	3.2
159.08072	2.9
159.11678	9.8
161.09663	3.8
161.13284	3.6
163.11176	8.0
163.14827	2.0
165.09157	3.8
169.10138	2.2
171.11748	3.3
173.09604	1.7
173.13293	4.6
175.11183	3.2
175.14818	1.6
177.12781	2.8
179.14268	3.0
183.11687	2.8
185.13292	1.7
187.11220	3.3
187.14923	2.3
189.11238	7.8
189.12683	2.0
190.07835	1.2
191.14462	1.7
195.13780	1.4
197.13274	2.3
201.16541	1.6
205.12331	1.7
215.17871	2.0
219.21187	1.8
223.13261	1.5
229.19508	5.2
235.81953	1.2
239.17981	5.0
247.16817	2.1
247.20628	5.8
257.19034	11.7
275.20099	100.0
293.21216	28.7
293.24542	2.1
293.28220	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03948	2.9
55.01660	1.5
55.01878	15.3
55.05514	58.6
57.03436	3.7
57.07072	3.0
59.04999	1.7
65.03923	1.9
67.05508	43.8
68.09467	1.7
69.03432	3.6
69.07079	12.8
71.04977	4.3
71.37508	3.5
77.03939	2.1
79.05499	78.0
81.03382	3.0
81.07061	34.0
83.04983	21.3
83.08624	17.8
84.55908	1.9
85.06539	4.5
91.05482	30.3
93.07051	46.0
95.04965	8.8
95.08597	12.6
97.06532	15.0
97.10175	20.7
105.07036	32.0
107.04955	40.2
107.08603	60.1
109.06528	3.9
109.10174	21.1
111.08120	3.8
117.07023	8.9
119.08594	26.7
121.06508	2.4
121.10156	14.8
123.08013	2.7
123.11698	5.2
125.09644	29.0
129.06993	1.6
131.08578	12.3
133.10132	23.7
135.08070	8.9
135.11763	3.2
137.09564	2.4
143.08604	1.7
145.10152	10.5
147.11703	14.6
149.09628	78.0
149.13245	3.1
151.11102	1.9
153.09091	4.5
155.10699	2.1
159.11707	8.8
161.13252	5.4
163.11168	2.8
163.14836	2.9
169.12189	5.0
171.10155	4.9
171.11597	2.4
173.11731	4.6
173.13237	3.9
177.12729	2.7
177.92012	1.8
187.11151	3.4
187.13260	3.8
189.11220	16.4
197.13213	2.0
205.12370	2.0
209.15251	8.3
215.18039	3.7
229.19579	8.9
233.15550	2.1
233.70065	1.8
239.17883	3.1
247.20546	5.2
257.18997	19.8
275.20074	100.0
293.21185	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03957	29.2
55.01878	20.7
55.05516	21.0
57.03429	3.9
65.03934	3.5
67.05508	60.3
69.07079	45.7
71.04973	4.7
71.37376	4.0
79.05059	4.8
79.05493	45.6
81.02991	4.8
81.03423	61.7
81.07063	92.3
83.04972	13.1
83.08603	11.1
85.06589	2.9
91.05488	61.4
92.03527	3.2
93.07058	48.9
95.01332	12.8
95.04959	12.9
95.08614	39.1
95.31478	2.4
97.06548	23.3
97.10188	4.2
97.29365	2.6
99.08089	5.9
103.05478	4.2
105.07042	100.0
107.04960	28.7
107.08601	20.6
109.06482	7.7
109.10126	8.1
111.08041	6.4
117.07030	18.4
119.08591	55.5
121.06508	6.8
121.10130	10.8
123.08071	14.5
125.09663	3.3
131.08582	31.8
133.10146	56.8
135.08022	4.1
135.11694	12.6
137.09622	5.7
141.06981	4.4
145.06444	8.5
145.10110	19.8
147.11665	24.3
149.09628	8.3
151.11218	4.9
157.10176	3.7
159.11707	19.1
161.13226	7.0
163.11186	3.4
169.10159	6.9
171.11707	4.0
173.13187	3.5
177.12790	9.5
179.14270	17.0
187.11217	8.5
195.13736	5.4
205.12184	4.8
211.23463	3.2
219.17613	2.9
222.73067	3.3
223.13251	4.4
223.40257	3.2
247.20700	3.3
257.19043	10.8
275.20090	86.4
293.21158	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.79994	1.3
51.22007	1.1
53.03937	3.8
55.01868	8.4
55.05516	22.1
57.03439	3.7
57.07064	3.8
65.03949	1.9
67.05509	49.7
68.29707	1.2
69.03425	2.3
69.06736	2.2
69.07078	26.6
70.75991	4.2
71.04980	4.2
79.05498	41.8
81.03411	6.5
81.07060	100.0
83.04983	5.7
83.08627	11.2
85.06537	2.9
88.86780	1.3
91.05487	34.1
93.06485	2.2
93.07048	33.0
95.04980	12.8
95.08606	30.1
97.06545	7.7
97.10164	4.3
105.07036	39.3
107.04963	7.4
107.08602	26.2
107.39143	1.3
108.46419	1.4
109.06526	23.4
109.10161	15.0
111.08087	8.2
111.11680	1.2
117.07010	9.5
119.08595	33.6
121.06526	3.8
121.10159	17.4
123.08080	12.3
123.11720	7.4
125.09635	4.6
129.06975	2.2
131.08578	12.8
133.10135	23.2
135.08086	6.9
135.11723	7.3
137.09637	7.4
141.06990	1.6
143.08589	2.6
145.10126	13.8
147.08031	1.9
147.11693	18.7
149.09665	8.6
149.13251	5.1
151.11166	4.6
153.09108	1.8
157.10223	3.4
159.11655	7.6
161.09648	1.4
161.13268	3.6
163.11145	6.8
165.12750	4.6
169.10118	1.9
171.11639	2.5
173.09636	2.1
173.13278	4.7
175.11143	2.3
177.12805	2.3
183.11641	2.0
185.13231	1.4
187.11246	1.8
187.14749	1.9
189.11197	2.4
191.14311	1.8
193.12263	1.9
197.13306	1.5
219.13730	1.6
229.19498	2.6
239.17963	6.9
247.20613	4.1
257.19043	9.6
275.20084	77.6
293.21127	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03950	1.5
53.38264	0.6
55.01872	3.1
55.05519	10.5
57.03439	1.5
57.07084	1.4
65.03929	1.2
66.18237	0.8
67.05508	20.0
69.03432	1.2
69.06694	0.8
69.07072	16.6
69.82320	4.2
71.05004	2.3
79.05495	13.6
81.07060	24.7
83.04992	4.9
83.08637	4.3
85.06541	1.2
91.05488	13.3
93.06485	1.4
93.07044	17.0
95.04979	4.5
95.08613	15.0
97.06535	2.7
97.10186	1.4
98.20766	1.5
99.00077	0.9
102.89309	0.8
104.63642	0.9
105.07037	19.7
107.04964	4.9
107.08607	10.7
109.06525	8.0
109.10151	6.3
111.08090	1.6
115.05461	0.8
117.07030	4.4
119.08584	11.5
121.06516	8.8
121.10159	6.2
123.08051	3.7
123.11736	2.1
123.65256	0.7
125.09626	1.0
129.07010	1.0
131.08580	11.2
133.06485	2.2
133.10127	14.1
135.08055	3.5
135.11700	5.1
137.09627	2.1
137.13164	0.8
141.07033	0.8
143.08553	2.0
145.06502	1.1
145.10124	9.8
147.08072	2.5
147.11699	8.6
149.09631	3.9
149.13277	2.5
151.11198	6.7
155.08615	1.4
157.10152	2.4
159.11694	5.6
161.09610	2.3
161.13231	2.1
163.11160	4.1
171.11754	2.2
173.09657	1.4
173.13231	3.6
175.11169	1.8
175.14816	1.2
177.12738	1.3
183.11668	1.8
187.11272	1.7
189.12752	1.4
190.81119	0.7
191.14342	2.5
197.13203	1.5
199.43005	0.8
201.12814	2.9
205.19554	0.8
207.13829	2.5
210.62822	0.7
213.40904	0.8
215.14430	1.1
215.17978	1.0
219.13800	5.1
229.19617	1.9
231.17444	1.2
233.19073	1.3
235.17140	0.9
239.17964	2.6
247.20692	3.9
257.18988	12.1
265.21518	0.9
275.20074	100.0
276.20520	1.6
293.21124	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.03051	1.7
53.03934	4.2
55.01876	13.0
55.05512	90.1
56.96560	3.7
57.03434	11.6
59.04997	1.9
65.03930	2.6
67.05503	65.1
69.03429	13.6
69.07069	27.7
71.04984	6.2
71.07267	1.9
71.08814	4.1
79.05493	59.1
81.07056	52.2
83.04978	12.4
83.08617	62.2
85.02898	5.7
85.06525	5.4
91.05479	46.2
93.07045	42.3
95.04967	9.3
95.08599	41.1
97.06515	7.4
97.10169	100.0
98.97599	5.0
105.07031	42.7
107.04934	5.4
107.08590	73.9
109.06522	7.6
109.10163	19.4
111.08067	6.7
117.07015	18.8
119.08580	27.4
121.06518	4.4
121.10145	26.6
123.08064	4.0
123.11727	3.7
125.09631	82.7
129.06989	5.9
131.00127	2.8
131.08557	29.7
133.10138	29.9
135.08038	11.3
135.11673	6.6
137.09625	6.4
139.11143	4.0
141.06990	3.0
143.08537	4.2
143.10666	4.0
145.10121	19.9
147.08032	4.0
147.11688	9.4
149.01195	2.6
149.09636	14.0
149.13232	1.9
153.09094	7.3
153.12791	2.6
155.10651	2.2
157.10104	4.4
159.11690	11.6
161.13156	4.6
163.11195	7.1
169.10146	2.6
171.10175	13.4
171.11667	4.9
173.11760	4.3
173.13269	8.1
177.12840	2.7
181.12254	5.2
183.11737	5.2
189.11220	73.7
197.13309	3.5
201.16405	3.9
203.12787	3.0
219.17455	4.5
239.17998	8.3
244.09729	2.1
252.09343	5.7
257.19046	13.5
275.20053	69.6
293.13330	5.8
293.21146	58.6
310.81400	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	2.8
55.01877	6.4
55.05513	26.8
59.05002	2.4
65.03930	1.7
65.12261	0.9
65.43390	0.9
67.05507	16.2
69.03415	3.3
69.07071	11.1
70.76096	2.2
70.76437	1.1
71.04987	2.3
72.64223	1.0
75.16806	1.0
79.05499	40.2
81.03410	3.5
81.06663	1.3
81.07066	15.3
83.04965	4.3
83.08620	13.6
85.06575	1.3
91.05485	25.0
93.07050	17.6
95.04956	3.6
95.08604	13.3
97.06535	8.6
97.09547	1.4
97.10175	20.1
99.08122	1.2
105.07040	27.8
107.04960	7.1
107.08600	100.0
109.06517	5.2
109.10144	5.0
111.08065	1.9
117.06986	4.1
119.06082	2.5
119.07829	1.1
119.08595	13.4
121.06529	2.4
121.10162	5.3
121.24073	1.0
123.08054	2.1
123.11706	2.1
125.09639	18.6
131.08577	7.5
133.06375	1.1
133.10132	17.0
135.08009	3.7
135.11674	2.8
141.06975	1.8
143.08578	1.2
143.10594	1.5
145.10110	9.9
147.11673	11.9
149.09627	11.8
149.13286	1.2
151.11143	1.5
153.09103	1.6
153.12732	1.6
155.10678	1.1
157.10117	1.3
159.11668	4.8
161.09659	1.2
161.13260	3.0
163.11172	3.6
165.09225	1.3
166.72298	1.0
169.10217	1.0
171.10190	3.0
171.11647	2.0
173.13196	2.4
175.11186	1.1
177.12674	1.8
181.12228	3.9
183.11668	1.5
187.11269	1.3
189.11217	17.4
222.64149	1.0
229.19568	2.1
239.17938	4.3
239.37679	1.2
257.19028	9.5
275.20062	80.3
293.21143	14.9
293.27866	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60571	0.2
55.01860	0.2
55.05499	0.5
57.07054	0.3
67.05484	0.7
69.07061	0.9
70.06624	0.3
70.65752	0.8
71.05007	0.2
78.83719	0.2
79.05477	0.8
79.38834	0.2
81.07053	1.9
85.06533	0.3
91.05457	0.7
91.73677	0.2
92.05817	0.2
93.07032	1.0
95.08635	1.2
97.06501	0.5
98.97564	0.4
105.07040	0.7
107.08567	0.7
109.10151	0.7
119.08574	0.4
121.10147	0.5
123.08017	0.3
131.08519	0.3
133.10109	0.4
135.11687	0.5
136.07594	0.5
137.07921	0.3
137.09525	0.3
137.13217	0.2
149.07947	0.3
159.11627	0.3
163.11171	0.3
198.26645	0.3
225.89522	0.2
275.18228	0.4
275.20624	0.3
293.17206	100.0
294.17603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.26451	1.5
53.03935	6.3
55.01867	4.8
55.05515	21.6
57.03421	6.5
57.07085	3.0
60.00731	1.4
65.03930	2.7
67.05510	32.0
69.03416	4.0
69.07069	18.5
70.56575	4.1
70.56931	3.2
71.04981	4.3
78.04601	1.8
79.05496	40.1
81.03413	7.7
81.07063	100.0
83.04981	6.6
83.08631	13.9
85.06544	4.3
91.05489	24.6
93.07053	23.2
95.04972	14.2
95.08611	21.9
97.06509	6.5
97.10176	10.0
105.07039	28.0
107.04944	9.0
107.08602	19.4
109.06524	48.8
109.10159	9.0
111.08078	5.7
117.07024	10.0
119.08598	22.6
121.06521	4.8
121.10146	15.5
123.08088	12.8
123.11691	5.2
125.09650	6.5
129.06969	3.0
131.08563	12.5
133.10135	17.6
135.08040	5.2
135.11702	5.0
137.09610	5.7
143.08559	1.9
145.10103	14.3
147.11687	16.0
149.09619	12.7
149.13235	7.2
151.11208	5.7
155.08443	1.5
157.10121	4.1
159.11752	8.1
161.09616	2.9
161.13228	5.4
163.00990	1.6
163.11208	8.8
163.14818	2.6
165.12724	5.1
171.11703	3.8
173.09526	1.9
173.13254	4.7
175.11154	4.1
177.12755	5.6
187.11195	1.7
187.14830	1.9
189.11211	7.8
193.12193	4.2
197.13222	2.0
207.13808	2.9
214.54085	1.8
219.17404	2.7
223.13147	2.1
229.19427	3.7
233.53392	1.6
239.17929	2.1
247.20662	7.7
257.18994	11.8
275.20087	75.4
293.21198	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79548	1.3
53.36902	1.3
54.88371	1.2
56.96583	1.2
61.85060	1.4
65.05282	1.2
69.63391	5.3
73.74390	1.4
101.00874	8.8
113.00861	2.5
116.89120	2.2
119.01914	9.7
131.01895	4.6
143.01878	19.5
155.01877	2.3
158.99582	1.7
161.02969	37.4
173.03021	6.4
191.03957	2.4
197.02908	1.6
203.04031	14.2
207.57614	1.4
227.87531	1.4
233.05067	2.4
293.06357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.1
51.34893	1.1
53.03941	4.4
55.01873	10.0
55.05513	25.0
56.45629	1.0
56.96558	2.8
57.03438	15.3
57.07071	2.9
58.23763	1.2
59.04998	2.9
59.86465	1.2
61.02920	2.0
61.15922	1.2
65.03937	2.8
66.38634	1.3
67.05505	30.5
69.03433	10.3
69.07067	23.7
69.15985	13.2
70.06580	4.2
71.01348	4.9
71.04995	40.6
71.08622	1.9
73.02909	5.1
75.04489	7.0
79.05492	32.1
81.03404	6.5
81.07056	51.9
81.07535	2.8
82.07343	1.3
83.04979	34.7
83.08624	10.7
84.08157	6.5
85.02908	100.0
85.06530	4.2
86.09708	3.6
87.04464	4.6
91.05480	22.6
93.07047	27.8
95.04967	15.8
95.08611	27.8
97.02902	2.3
97.06536	11.9
97.10173	8.1
98.06046	1.5
98.97572	3.4
99.04459	6.2
99.08076	1.5
101.06007	3.7
105.07031	24.8
107.04940	5.4
107.08598	28.7
109.02888	5.1
109.06519	15.5
109.10173	13.5
111.04450	27.6
111.08083	4.3
113.06011	3.3
116.98640	1.4
117.05523	1.4
117.07010	8.6
119.08579	18.7
120.08078	3.9
121.06512	5.2
121.10146	15.9
123.04428	3.5
123.08059	10.1
123.11712	5.7
125.06001	3.4
125.09618	7.2
127.03902	3.5
129.05481	26.7
129.07007	3.4
129.10287	1.2
131.00192	1.6
131.08569	11.7
133.06477	3.3
133.10139	17.1
135.08035	5.3
135.11697	6.7
137.05989	2.2
137.09659	5.6
137.13210	1.5
139.11188	1.3
142.07678	1.2
143.08568	3.7
145.10144	12.9
147.06543	9.7
147.08078	2.2
147.11679	8.6
149.01219	1.6
149.05981	1.8
149.09624	12.8
149.13266	4.2
151.07568	2.2
151.11169	3.4
153.05537	9.9
157.04962	2.6
157.10161	3.1
159.08084	2.2
159.11720	9.4
161.09634	3.3
161.13263	2.2
163.11171	6.9
165.12828	2.4
169.10152	1.7
171.06523	7.9
171.11668	2.9
173.09618	2.2
173.11884	1.4
173.13304	3.9
175.11070	1.9
175.14920	1.5
183.06544	2.4
185.06165	1.1
185.13278	2.5
187.11150	1.3
189.11234	3.8
189.12779	1.8
191.14458	1.4
193.08690	1.4
193.12215	2.4
195.12025	1.3
197.13243	1.7
201.07666	3.6
201.16418	1.4
203.10309	1.5
203.14265	2.1
211.14912	1.8
212.10783	1.3
213.07666	3.3
219.17374	2.7
220.10469	2.0
221.08171	1.7
221.15453	1.3
223.13342	3.2
224.08008	2.3
224.51497	1.1
229.16013	1.4
229.19466	2.5
233.15379	1.7
239.09152	10.3
239.17995	3.3
247.16962	2.1
247.20609	3.8
257.10165	4.8
257.19083	7.7
264.11230	3.4
275.11301	4.9
275.16953	2.8
275.20078	49.0
293.08981	2.4
293.11963	3.8
293.14594	8.4
293.21252	30.4
293.28119	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	292.191
Annotation	Dendroxine
Peak:m/z	Relative Intensity
53.03944	0.6
55.01859	0.6
55.05518	2.4
57.07066	0.5
60.72422	0.2
65.03933	0.5
65.39259	0.2
67.05511	4.1
68.89694	0.2
69.03423	0.9
69.07071	2.4
69.15177	0.9
69.15613	1.2
70.06587	0.8
71.05000	0.4
72.08151	0.4
74.06068	0.4
76.69917	0.2
78.04713	0.6
79.05067	0.3
79.05493	4.1
80.05017	0.5
81.05791	0.3
81.06586	0.5
81.07055	6.4
82.06591	1.5
82.07376	0.3
82.90643	0.2
83.04984	0.4
83.08614	1.1
84.04530	0.4
84.08134	1.0
84.89954	0.2
85.06539	0.4
86.09697	0.5
87.08123	0.3
91.05482	14.4
93.05791	0.7
93.07049	6.1
94.02904	0.4
94.06572	1.5
95.04945	1.1
95.08614	3.3
96.04494	1.1
97.02895	0.5
97.06542	0.5
97.10177	0.2
98.06049	0.5
98.09718	0.3
98.20711	0.5
103.05463	1.2
104.06252	4.5
105.04422	0.2
105.07036	7.1
106.06541	0.7
106.07270	0.3
107.04965	0.4
107.08596	2.6
108.04459	0.6
108.08138	3.8
108.08872	0.5
109.02789	0.2
109.06525	1.5
109.10190	1.1
110.06044	5.7
110.10515	0.3
112.07614	0.3
115.05470	0.4
117.07015	2.4
118.06522	0.3
119.04112	0.4
119.04945	6.4
119.05857	0.2
119.08586	3.6
120.08098	2.1
121.06513	1.6
121.10168	1.2
122.06039	2.5
122.09609	0.3
123.04435	0.9
123.06828	1.0
123.08048	1.1
123.11694	0.6
124.03973	0.2
124.07567	0.9
124.12001	0.3
125.09644	0.3
126.77595	0.2
128.06201	0.4
129.07002	1.2
130.06534	0.3
130.07756	0.3
131.08571	3.3
132.05713	7.3
132.08037	1.3
133.06519	2.2
133.10129	1.4
134.06027	2.1
134.09610	0.4
135.08046	0.8
135.11693	0.8
136.07579	17.9
137.05966	0.4
138.05463	0.3
143.08533	1.2
144.08090	0.4
145.06456	1.2
145.10110	2.2
146.07260	0.5
146.09644	0.3
147.04443	0.3
147.06885	0.4
147.08049	1.9
147.11641	0.4
148.07574	8.5
148.11192	0.3
149.05923	0.3
149.08382	5.8
149.09550	0.5
149.13261	0.4
150.05510	0.7
150.09142	0.7
155.08575	0.4
157.10146	0.6
159.08058	2.9
159.11647	0.8
160.07530	0.3
161.05978	0.7
161.09625	1.2
162.09135	0.8
163.11174	0.4
169.10129	0.9
171.11729	0.3
173.09633	0.9
173.13310	0.4
175.07594	0.4
176.10732	0.6
178.12271	0.3
183.11775	0.3
187.11192	0.3
187.14871	0.4
190.12177	0.3
201.16347	0.6
204.10274	0.3
211.11150	0.3
211.14806	0.7
217.76752	0.2
218.11713	0.4
221.13257	0.3
224.11855	0.3
228.17552	0.3
229.15862	1.1
230.15431	0.3
239.14305	0.6
246.18541	2.4
247.16934	0.3
248.16484	0.5
256.17096	0.4
257.15378	0.7
274.18015	18.9
292.19070	100.0
293.19339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1909
Annotation	Lycoposerramine D
Peak:m/z	Relative Intensity
50.15850	0.6
53.03932	2.2
53.24670	0.6
55.01860	1.2
55.05518	7.3
55.27258	0.6
56.05025	1.5
57.03439	3.1
57.07070	1.4
67.05238	0.6
67.05511	4.9
69.03416	1.1
69.07063	3.8
69.85143	2.5
70.06586	1.4
71.04978	1.0
77.48852	0.6
79.05495	15.0
80.05002	1.3
80.05796	0.8
80.06251	0.7
81.07061	29.2
82.02928	2.0
82.07386	0.8
84.08128	1.1
85.02904	4.1
85.06533	0.6
91.05482	8.8
91.94173	0.6
92.05797	0.8
93.07050	6.8
94.06576	1.6
94.07349	1.2
95.04984	4.8
95.08609	4.2
96.08955	0.7
97.06525	2.5
98.09673	0.8
98.21480	1.3
104.05007	0.8
105.04479	1.0
105.07027	8.3
106.06562	1.4
107.04972	4.4
107.08595	2.5
107.29132	0.6
108.04489	1.3
108.08104	1.9
108.08875	1.1
109.06512	2.6
109.10169	1.7
110.09695	1.0
116.06226	1.0
117.07007	2.3
118.06546	1.6
119.04933	0.8
119.08564	2.8
120.08087	1.7
120.08857	0.7
121.06481	2.2
121.10150	2.4
122.06034	1.4
123.08037	3.9
127.07543	2.8
128.06192	0.8
129.07022	2.1
130.06529	1.1
131.07347	1.2
131.08569	4.1
132.04468	0.8
132.08089	4.8
132.08948	0.9
133.06496	1.0
133.10152	1.5
134.05977	1.1
135.08069	1.7
136.07532	0.7
136.08453	0.9
142.07729	0.6
143.08562	0.8
144.08080	2.3
145.10130	1.8
146.06000	1.8
146.09648	2.4
147.08055	0.7
147.11664	0.8
148.11188	4.8
149.09625	4.5
150.12744	0.8
151.07500	1.2
152.10728	1.1
156.08087	0.9
158.09636	2.9
159.08072	1.0
159.11617	1.0
160.07605	0.9
161.09665	0.7
162.08980	0.8
165.11711	0.8
170.09694	0.7
172.11076	3.1
174.09169	2.4
174.12666	0.9
175.09920	0.7
176.10699	8.3
177.09091	0.8
178.12146	0.8
186.09206	0.7
186.12703	0.9
188.10713	3.4
193.14821	1.6
201.11494	2.5
202.12207	3.2
202.15610	0.8
216.13818	1.1
228.17497	0.7
230.15450	4.0
232.13322	2.8
234.14929	1.1
256.17093	2.7
274.18030	100.0
292.15536	1.3
292.19562	13.7
293.21082	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	292.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01868	0.9
55.05513	3.1
55.62928	0.3
56.96554	0.4
57.03428	1.3
57.07067	1.0
64.64182	0.3
67.05503	6.2
68.05033	2.1
69.03425	1.4
69.07069	3.8
70.06609	0.4
70.07379	0.4
70.12285	0.6
70.12694	1.0
71.04994	0.8
72.38839	0.3
79.05492	5.0
81.03383	0.4
81.07059	5.6
82.07398	0.6
83.04961	0.9
83.08634	1.0
84.04494	1.0
84.08144	0.6
85.06522	0.5
86.06122	0.3
86.09726	0.4
91.05496	5.3
92.05831	0.6
93.07044	4.0
94.07359	0.7
95.04971	1.1
95.08055	0.6
95.08611	6.0
96.04494	100.0
96.08927	0.6
96.36124	0.3
97.06522	0.8
97.10153	0.3
103.05476	0.8
105.07040	6.7
106.07380	0.4
106.77390	0.3
107.04959	1.0
107.08588	3.3
108.08131	0.4
109.06518	2.5
109.10143	2.9
110.06873	0.8
111.04385	0.6
111.08053	0.5
114.05542	4.6
115.05475	0.7
116.06270	0.4
117.07016	3.1
119.08580	4.7
120.08150	0.4
120.08934	0.4
121.06527	1.5
121.10152	2.3
123.08083	1.4
128.06241	1.1
129.07021	1.9
131.08575	3.3
132.09091	0.4
133.06526	0.9
133.10100	2.3
135.08084	1.3
135.11705	1.5
136.08441	0.5
137.05995	1.2
137.09586	0.6
141.07004	0.6
142.07771	0.4
143.08521	1.7
145.06512	1.2
145.10135	1.3
146.06088	0.4
147.08060	1.2
147.11623	0.5
148.11250	0.5
149.09601	0.8
151.07558	0.9
151.14847	0.5
152.07896	0.6
154.07774	0.8
155.08551	1.5
156.09306	0.5
157.10144	0.9
159.08087	1.5
159.11761	0.8
161.09639	1.8
161.13322	1.4
163.11115	0.5
167.08620	0.5
169.10185	1.0
171.11665	0.8
173.09650	0.7
173.13278	0.3
174.09212	0.8
176.10767	1.2
177.09122	0.5
178.12164	0.5
179.14360	0.7
181.10114	0.5
181.12503	0.4
186.09081	0.5
187.11224	0.9
189.09187	0.8
192.10271	0.6
194.11856	1.3
197.09564	0.3
201.12782	0.5
201.16435	0.7
203.14226	0.4
204.10323	0.5
206.59656	0.3
207.13824	0.3
208.14053	0.8
211.14847	0.5
215.10826	0.6
218.16092	0.4
228.13757	0.4
229.15923	1.2
256.17505	0.6
257.15445	1.2
269.10632	0.7
269.59341	0.4
274.14502	2.2
274.18341	1.5
275.20010	0.4
292.15070	2.3
292.19516	6.0
292.27213	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.4
55.05523	6.7
57.03444	34.7
57.07077	3.5
59.05003	1.1
61.06716	1.1
67.05503	9.7
69.07076	8.2
69.53107	7.6
70.06596	3.3
71.94926	1.2
79.05499	11.8
81.07065	17.6
83.04987	1.7
83.08624	2.5
84.08142	2.0
91.05486	9.0
93.07052	9.7
94.06580	3.5
94.07388	1.6
95.04987	7.8
95.08636	6.5
96.04511	1.1
96.08170	1.7
96.08961	2.3
97.06539	27.6
98.06065	6.1
98.21495	2.3
99.08105	100.0
105.07034	10.4
107.04974	3.5
107.08609	11.3
109.06533	11.3
109.10162	7.5
110.06062	5.6
110.10466	1.7
115.05421	1.5
117.07020	2.9
119.08588	2.7
120.08161	2.0
121.06538	5.4
121.10228	3.2
122.10489	1.6
123.06831	2.6
123.08105	3.5
123.11733	6.7
129.07062	1.5
131.08569	1.8
132.08086	1.5
133.06497	2.4
133.10162	5.4
134.06064	3.4
135.08043	6.9
135.11824	1.4
138.13593	1.5
143.08542	1.9
145.10127	2.1
147.08060	2.8
148.07594	2.9
149.09586	3.3
150.09093	1.7
151.11197	5.7
152.10719	32.0
152.11765	1.3
153.09123	2.7
159.11784	1.3
161.09666	5.4
162.09125	2.9
169.12216	1.5
169.86108	1.3
174.09167	1.6
174.12793	2.0
176.10744	3.4
177.12703	2.1
178.12372	3.2
179.10651	6.8
192.10358	1.5
192.13939	3.6
193.14766	1.4
194.11861	2.4
196.13371	3.3
218.11774	1.1
219.12648	1.1
232.13373	2.8
248.16481	78.2
269.10583	1.6
274.18210	4.2
275.20102	2.9
292.19168	25.8
292.22778	21.9
292.26270	2.2
292.27298	1.8
293.21078	1.4
313.19604	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1541
Annotation	syn-3-Isopropyl-6-(4-methoxybenzyl)-4-methylmorpholine-2,5-dione
Peak:m/z	Relative Intensity
55.01869	1.0
55.05506	0.9
67.05494	0.9
69.07062	0.5
69.75269	2.0
79.05486	1.5
80.04985	0.3
81.07051	1.5
87.48961	0.3
88.95033	0.3
91.05481	1.4
93.07030	1.3
95.08598	1.0
105.07030	1.3
106.06555	0.4
107.08601	1.5
108.04493	1.3
109.05262	1.4
117.05716	0.6
117.06996	0.6
118.06554	0.6
119.08570	0.6
120.04462	0.4
122.06028	2.2
132.04451	1.5
132.08066	1.0
133.10135	0.6
134.06046	1.8
135.11739	0.4
145.05247	2.4
146.05997	4.0
148.07596	0.7
150.05510	0.8
160.07584	10.2
160.11261	0.5
161.08345	0.4
161.09578	0.6
164.07072	0.6
164.10686	0.3
172.07600	0.3
173.08377	2.1
174.05515	1.2
174.12672	0.5
176.07069	0.5
178.08554	0.4
179.13052	0.6
187.06343	0.5
190.12166	0.5
192.06511	0.4
202.12271	1.1
204.06567	6.5
206.08191	0.5
208.19414	0.3
216.13887	0.6
217.07333	2.0
218.08142	0.4
218.15503	0.3
220.13333	2.3
222.07663	0.9
230.15413	1.8
234.14975	1.1
235.08382	2.2
244.13351	1.4
246.14937	0.5
248.16487	1.2
262.14410	3.4
274.14377	28.5
292.15436	100.0
293.15817	0.6
307.60342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1544
Annotation	syn-3-Isopropyl-6-(4-methoxybenzyl)-4-methylmorpholine-2,5-dione
Peak:m/z	Relative Intensity
53.03931	0.3
54.56929	0.2
55.01869	0.6
55.05513	2.4
56.05835	0.4
57.03426	0.2
57.07073	0.4
59.23337	0.2
65.03936	0.3
65.98787	0.2
67.05506	2.2
68.05836	0.6
69.03414	0.3
69.07070	1.6
70.06592	0.3
70.07402	0.3
70.46862	0.8
71.04979	0.2
71.08621	0.3
79.05496	3.5
80.04991	0.5
80.05817	0.6
81.07057	3.7
82.07375	0.6
83.05000	0.2
83.08609	0.9
85.05273	0.3
85.06509	0.2
91.05484	2.9
92.05807	0.8
93.07047	3.0
94.06541	0.2
94.07370	1.1
95.04964	0.4
95.08612	3.2
96.04481	0.6
96.08942	0.6
97.06480	0.3
97.10163	0.2
98.09753	0.3
104.05009	0.3
105.07040	2.7
106.06570	0.5
106.07349	0.9
107.04948	0.8
107.08592	2.9
108.04501	1.1
108.08186	0.3
108.08920	0.5
109.05253	1.0
109.06519	0.4
109.10142	0.4
110.06033	0.5
110.06816	0.2
110.10471	0.5
111.08083	0.6
112.08376	0.4
115.05441	0.4
117.05732	0.3
117.07019	1.2
118.06536	0.5
118.07333	0.7
119.04948	0.5
119.08596	1.7
120.08124	0.3
120.08917	0.6
121.05254	0.5
121.06537	0.6
121.10180	1.3
122.06030	8.2
122.06915	0.4
122.10455	0.5
123.04369	0.3
123.08060	0.7
123.11674	0.3
129.07013	0.5
131.04993	0.5
131.08589	1.8
132.04445	0.9
132.08022	0.3
132.08888	1.0
133.05254	0.7
133.06488	0.7
133.10146	1.2
134.06001	0.7
134.10455	0.5
134.51942	0.2
135.08087	0.4
135.11681	1.4
136.07547	0.7
139.11194	0.3
143.08575	0.8
144.08911	0.7
145.05229	0.3
145.06540	0.4
145.10168	1.5
146.05991	2.8
146.09456	0.2
146.10486	1.1
147.04405	0.6
147.08011	0.5
147.11696	0.5
148.07544	0.6
149.09583	0.5
150.05493	0.3
150.09140	0.8
151.07536	1.0
152.07880	1.0
157.10172	0.5
159.11671	0.5
159.24544	0.3
160.07561	2.3
161.05936	0.4
161.09581	0.7
162.10359	0.3
164.07086	1.0
164.10718	1.9
171.11719	0.3
173.08337	0.6
174.05482	1.3
174.09044	0.3
176.07124	0.4
178.08603	0.4
178.12297	0.6
179.13054	3.8
185.09676	0.3
187.06360	0.4
188.07036	0.6
190.12189	2.7
191.10640	0.2
192.06567	1.9
194.08107	0.3
202.12317	1.0
203.10645	0.3
204.06468	0.3
205.07254	0.3
206.08148	0.4
207.13797	0.5
208.09785	0.3
208.14073	1.1
216.13908	1.3
220.13264	0.5
222.07632	4.0
223.08401	0.8
224.09193	0.3
230.15404	0.6
234.14893	3.6
235.08406	6.1
236.09167	0.5
244.13364	2.7
246.15031	0.3
248.16521	0.5
262.14398	12.5
274.14331	0.6
274.18820	1.7
274.26245	0.2
292.15433	100.0
293.15717	0.6
303.88153	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03931	4.0
55.01863	2.3
55.05267	1.4
55.05513	19.1
57.03430	1.7
57.07077	12.2
59.04998	1.8
59.46954	0.9
65.03946	1.1
67.05507	24.8
68.14793	0.9
69.03429	5.0
69.07071	47.2
70.06580	1.9
70.68533	2.0
70.68873	1.3
71.04996	4.4
71.08633	5.5
71.50018	0.9
79.05495	21.9
81.03398	3.2
81.07059	65.1
83.04969	3.9
83.08620	20.0
84.08157	1.8
85.06530	2.7
85.10203	1.0
91.05479	13.4
93.07050	41.1
93.07639	2.3
95.04980	6.3
95.08611	62.4
97.06529	8.1
97.10175	9.5
97.47321	0.9
99.04445	1.5
99.08057	1.2
103.05453	1.0
105.07030	23.8
105.93530	0.9
107.04947	4.3
107.08595	30.1
109.06523	18.7
109.10160	37.7
110.05968	0.9
111.08080	6.8
111.11736	7.7
113.09629	1.1
117.07006	2.5
119.04831	0.9
119.07801	1.6
119.08585	15.3
120.44612	0.9
121.06501	2.4
121.10147	48.3
123.08101	5.1
123.11704	23.3
125.09619	4.6
125.13268	2.6
127.03941	1.4
129.06966	1.4
130.06531	1.3
130.07773	1.0
131.08556	4.7
133.06529	1.3
133.10141	11.2
135.08063	7.4
135.11700	21.5
137.09639	4.6
137.13263	14.3
139.03893	3.3
139.11174	6.4
140.04259	1.4
141.04451	2.0
142.07776	1.4
143.08553	3.4
145.10124	4.8
145.82852	1.1
147.04346	1.5
147.08037	2.3
147.11693	12.6
149.09621	11.7
149.13268	14.9
151.07530	2.8
151.11197	1.0
151.14844	3.0
153.12743	6.7
155.08577	1.7
156.09337	1.2
157.10170	3.4
159.08029	1.9
159.11685	2.7
161.09569	2.3
161.13280	8.0
163.14828	12.0
165.12730	3.1
165.16400	2.4
167.10683	100.0
168.11121	1.0
171.11696	2.9
173.13280	3.0
174.33762	0.9
175.11147	3.1
175.14813	3.6
177.16451	5.4
179.14369	1.6
179.18065	1.3
182.11050	1.0
187.14757	2.0
189.12718	3.1
189.16399	4.7
191.10661	2.5
191.14326	3.2
191.17963	3.2
193.19540	1.1
197.13261	2.3
203.17961	3.9
207.13896	2.0
207.17606	1.0
213.16364	1.5
215.14316	3.3
217.12352	1.6
217.16071	1.4
217.19443	4.6
231.21007	0.9
233.15375	11.8
235.20703	1.4
247.24136	1.3
255.17413	3.2
273.18591	8.6
273.25790	18.2
291.16379	1.5
291.19629	16.4
291.26822	56.0
292.19061	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	291.2684
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03933	2.3
55.01858	3.4
55.05514	45.3
56.96549	5.5
57.03427	1.8
57.07079	15.1
59.05002	1.6
60.62871	1.1
65.03963	2.0
67.05507	32.4
69.03419	2.7
69.07071	68.3
69.81602	6.2
70.06569	2.0
70.81989	1.1
71.04974	2.5
71.08609	4.2
79.05499	13.7
81.03399	4.6
81.07060	100.0
83.04978	7.7
83.08153	2.0
83.08620	32.0
84.08130	1.6
85.06525	3.9
89.37526	1.1
91.05496	8.7
93.07046	33.6
95.04956	5.5
95.08611	91.7
97.06529	9.6
97.10170	17.9
98.20756	1.7
98.97592	37.4
99.08066	2.5
105.07034	14.8
107.05013	1.6
107.08598	37.8
109.02856	2.3
109.06495	2.8
109.10162	55.4
110.97563	2.0
111.04471	1.1
111.08077	9.4
111.11717	10.1
112.99148	1.3
113.09615	1.6
116.98632	10.1
117.06970	1.7
119.08588	12.2
121.06505	1.9
121.09341	2.2
121.10148	30.2
123.08042	2.5
123.11710	55.8
124.99112	3.0
125.09615	3.4
125.13242	4.9
127.03868	2.1
127.11199	1.3
129.07014	1.9
130.06555	1.5
131.00195	1.2
131.08546	2.7
133.10143	10.0
135.08069	1.7
135.11691	20.4
136.07555	1.5
137.09650	1.9
137.13258	25.4
139.11171	8.3
139.14891	1.2
140.98607	1.5
143.00146	6.7
145.10088	2.9
147.04440	2.0
147.11685	9.3
149.13272	20.1
151.14804	5.9
153.12749	6.8
157.06474	1.2
157.10045	1.2
158.99626	1.6
159.11652	1.5
161.01147	2.4
161.13251	8.7
163.11156	1.5
163.14836	19.9
165.12779	2.7
165.16339	2.3
167.14316	3.2
170.99658	3.4
175.14832	4.0
177.00624	1.8
177.16389	9.6
179.14313	2.3
179.17931	3.6
181.15880	1.4
182.99677	5.2
187.14644	1.2
189.00684	4.2
189.16373	5.5
191.17993	6.9
193.12294	1.4
193.19519	6.6
201.00652	6.3
203.17996	5.3
207.01886	1.4
209.18971	1.6
217.19559	14.1
219.01675	6.0
235.20549	5.1
249.00577	1.5
249.02820	7.2
267.03912	1.8
272.04404	1.5
273.18552	1.6
273.25769	18.7
291.19638	4.2
291.26804	63.2
298.76498	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03932	4.9
55.01878	2.2
55.05512	18.8
57.07065	2.9
57.33118	1.2
59.04978	1.2
65.03928	1.9
67.05505	35.6
69.03419	2.1
69.07072	15.9
70.68539	1.8
70.68858	1.5
71.08608	1.9
77.03934	1.5
79.05494	70.3
81.07056	42.6
83.04964	2.3
83.08620	6.8
85.06533	3.5
91.05482	28.8
93.07046	100.0
95.04950	4.5
95.08609	28.8
97.06528	3.6
97.10159	4.3
99.08089	2.0
105.04496	3.9
105.07024	16.9
107.04937	2.3
107.08599	50.4
109.06552	3.0
109.10163	14.4
111.08079	3.5
111.11653	1.4
117.07007	3.8
119.06048	1.4
119.08594	16.3
121.06513	1.9
121.10147	44.1
123.08057	3.9
123.11696	5.2
125.09610	1.8
129.06984	3.5
131.08611	6.8
133.10143	15.8
135.08006	3.4
135.11688	54.2
137.09584	2.8
137.13274	1.4
143.08568	2.2
145.10114	5.6
147.11697	9.3
149.09618	4.1
149.12057	1.5
149.13252	28.8
151.07550	4.3
151.11243	1.7
157.10138	4.1
159.11699	6.9
161.09648	1.5
161.13261	7.3
163.11131	3.6
163.14830	9.9
167.10706	3.5
171.11655	3.3
173.13252	3.9
175.14799	4.5
177.12672	1.7
185.13277	2.2
189.12685	2.6
195.13788	1.5
199.14813	2.7
203.14349	2.1
207.13799	2.7
209.15440	2.0
213.16356	2.3
217.15932	1.3
217.19556	3.0
221.15402	1.5
231.17567	1.5
231.21091	1.5
233.15320	3.9
235.16821	1.5
241.19537	6.3
249.18495	2.7
255.10580	1.2
259.20605	7.1
281.73740	1.2
291.19617	10.1
291.23151	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03936	4.0
55.01852	1.6
55.05513	17.3
57.03397	1.2
57.07063	4.0
59.05003	1.9
60.25466	1.4
65.03938	1.9
67.05506	37.4
69.03397	1.8
69.07069	15.7
69.33887	7.4
69.34290	3.1
71.04977	1.9
72.43232	1.5
73.06545	2.6
79.05499	68.0
81.06602	2.6
81.07064	48.4
83.04972	1.7
83.08609	9.2
84.08148	1.7
85.06513	4.8
91.05484	28.1
93.07047	100.0
95.04964	6.3
95.08611	32.4
97.06525	3.1
97.10155	5.2
99.08097	1.6
105.04476	1.7
105.07032	18.6
107.04937	2.8
107.08599	54.2
109.06564	1.6
109.10156	16.3
111.08076	3.7
117.07063	3.4
119.08577	14.6
121.06465	1.8
121.10150	46.1
123.08064	2.8
123.11692	5.0
125.09642	2.3
129.07001	2.2
130.06444	1.4
131.08566	5.9
133.10139	14.2
135.08054	2.4
135.11700	57.5
137.09647	2.1
143.08551	3.5
145.10133	7.0
147.04431	1.5
147.11717	10.6
148.04811	1.8
149.09630	5.0
149.13258	33.0
151.07510	5.8
151.11183	1.7
155.83040	1.6
157.10085	3.0
159.11678	5.9
161.09584	2.4
161.13261	7.4
163.11157	3.6
163.14827	7.6
164.78633	1.3
171.11642	4.5
173.13261	2.4
175.11143	2.4
175.14824	3.7
177.12758	3.0
185.13214	2.4
189.12753	3.7
199.14804	2.3
203.14339	2.2
207.13728	3.8
213.16293	2.4
217.15727	1.6
217.19501	1.7
221.15372	1.9
231.13625	1.5
231.17415	1.7
233.15273	3.0
235.16924	3.2
241.19405	4.8
249.18507	3.9
259.20685	6.5
273.18539	1.8
291.19547	14.2
291.23141	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03942	1.5
54.01513	0.8
55.01878	1.0
55.05515	10.0
57.03441	1.7
57.07085	5.6
59.04992	1.5
60.70756	0.7
67.05505	11.9
69.03419	3.0
69.07071	25.4
69.93631	2.3
70.06590	0.7
71.04984	2.8
71.08630	2.8
77.03931	0.9
79.05495	14.1
79.91612	0.7
81.03406	1.6
81.07060	30.8
83.04980	1.3
83.08621	10.5
84.08156	1.3
85.06541	1.8
85.10196	0.8
91.05487	10.3
93.07046	29.4
93.07641	1.5
95.04971	4.2
95.08610	33.0
97.06524	3.7
97.10168	4.8
105.06389	1.3
105.07038	14.5
107.04956	4.2
107.08601	21.5
109.06519	15.8
109.10163	18.9
111.08084	3.0
111.11736	5.6
117.07014	2.6
119.08573	9.8
121.06542	1.8
121.10151	39.4
123.08073	2.5
123.11716	10.4
125.09649	3.5
129.06949	0.9
131.08553	3.5
133.06511	1.8
133.10150	5.8
135.08064	6.2
135.11705	7.9
137.09612	2.4
137.13258	5.0
139.03870	1.4
139.11157	3.5
142.07761	1.4
143.08540	1.9
145.10124	4.2
147.08026	1.4
147.11716	6.9
149.09622	11.6
149.13280	8.2
151.07539	2.1
151.11221	0.8
151.14812	1.4
153.12775	2.1
156.09346	1.1
157.10121	3.4
159.08064	1.6
159.11736	1.7
161.09549	1.3
161.13255	5.1
163.14827	5.6
165.12802	1.6
167.10684	100.0
169.10098	1.6
171.11700	3.1
173.13298	3.9
175.11176	2.6
175.14839	1.5
177.09145	0.8
177.16402	3.0
179.18002	1.1
182.10847	1.2
187.11090	0.9
189.12752	2.0
189.16457	1.8
191.10715	3.6
191.14314	4.4
191.17961	1.9
197.13312	1.7
203.17964	1.8
207.13750	1.1
209.34097	0.7
213.16438	1.4
215.14366	3.1
217.12315	1.4
217.19518	2.3
219.28720	0.8
229.16098	0.9
231.17494	1.1
233.15408	11.3
237.16382	0.8
255.17430	2.9
273.18521	9.3
273.25751	10.8
291.16403	0.8
291.19656	11.8
291.26819	30.0
292.19022	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03935	4.9
55.01883	18.9
55.05514	24.3
57.03446	15.4
65.03938	6.3
67.05511	77.0
69.03424	5.7
69.07069	14.5
70.06599	2.3
70.55863	2.1
70.56187	3.0
71.04990	5.7
73.38965	1.8
79.05502	53.2
81.03416	5.0
81.06590	2.8
81.07063	44.2
83.04975	10.4
83.08625	8.2
84.08116	1.9
85.06525	4.5
91.05490	44.1
91.60759	1.4
93.07059	38.9
95.04978	100.0
95.08611	23.2
97.06522	7.5
97.10157	7.6
103.05429	2.6
105.06406	2.7
105.07045	34.2
107.04967	22.7
107.08606	35.1
109.06531	67.3
109.10178	11.1
111.08115	8.1
115.05464	4.4
116.06262	2.2
117.07024	18.6
119.04999	1.8
119.08600	20.4
121.06517	15.8
121.10154	12.8
123.04395	1.9
123.08072	8.3
123.11735	2.2
125.09639	6.9
128.06252	4.1
129.07016	12.0
131.08583	27.1
133.06494	8.5
133.10144	13.8
135.08072	67.0
135.11688	11.6
137.09615	2.9
143.08572	15.5
145.06508	2.1
145.10135	22.6
147.04404	2.4
147.08049	13.2
147.11667	6.5
149.09630	10.0
149.13274	4.6
151.07581	9.1
155.08498	1.6
156.09276	2.5
157.10126	8.1
159.08026	2.1
159.11697	6.1
161.09671	13.1
161.13239	3.2
163.07419	1.9
163.11156	7.7
167.10756	2.2
169.10120	3.1
171.11726	3.2
173.09631	2.7
173.13231	4.1
175.11206	6.7
177.12752	4.2
185.13277	4.4
187.11215	3.6
189.11227	6.5
189.12819	3.7
191.14389	1.7
195.11760	2.5
195.13803	2.3
199.14845	4.8
201.12773	2.6
207.13808	7.4
212.88432	1.8
215.14198	2.0
217.15927	15.9
227.17972	5.3
233.15405	4.0
237.16409	2.5
245.19002	3.5
255.17468	5.1
273.15500	2.6
273.18530	60.9
291.19595	83.6
314.65689	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03938	8.6
53.57585	3.4
55.01868	8.6
55.05515	68.4
57.03434	10.9
57.07073	2.4
59.04985	3.2
63.90263	2.9
65.03957	3.8
66.82975	2.9
67.05505	54.2
69.03435	6.2
69.07069	40.2
71.04982	11.0
71.37050	5.5
79.05497	85.6
81.07063	87.0
83.04961	7.5
83.08623	29.1
85.06562	6.4
91.05485	98.8
93.06489	5.3
93.07047	81.9
93.07640	4.3
95.04971	11.6
95.08611	53.6
97.06537	9.7
97.10192	18.7
98.21528	2.7
103.05471	4.3
105.04475	3.1
105.07037	86.6
107.04964	14.2
107.08593	47.8
109.06543	14.9
109.10148	12.3
111.08090	19.8
115.05466	5.4
116.06241	6.8
117.07021	51.6
119.04993	3.5
119.08591	48.8
121.06495	10.9
121.10145	36.2
123.08065	18.0
123.11702	5.3
125.09634	6.6
128.06235	12.8
129.07030	24.3
130.07776	9.1
131.08575	92.2
133.06447	6.8
133.10129	26.1
135.08049	13.0
135.11661	16.3
137.09634	5.5
139.11154	11.5
141.07008	8.6
142.07767	4.1
143.08566	59.2
145.06528	3.5
145.10129	100.0
147.08029	11.0
147.11685	16.0
149.09602	15.0
149.13271	9.4
151.07550	31.0
155.08577	7.4
157.10130	24.5
159.08127	6.1
159.11690	22.3
161.09665	15.5
161.13297	5.7
163.11165	7.5
163.14915	3.6
167.08618	5.4
169.10118	11.1
171.11778	15.0
173.09615	3.3
173.13278	6.0
175.11238	8.1
181.10165	6.8
183.11740	11.0
185.13313	7.9
187.11140	3.1
189.12752	9.2
195.11661	13.4
197.11726	3.0
207.13799	13.7
217.12192	3.5
217.15848	5.5
227.17876	5.8
233.15366	5.6
237.16386	9.5
245.19046	6.1
255.17406	13.7
263.20093	8.8
273.15839	5.6
273.18524	53.9
291.19543	40.7
291.26651	9.0
292.15408	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	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03943	1.5
55.01859	1.1
55.05515	6.4
57.07061	2.6
59.04998	2.1
64.39494	0.8
65.03959	1.0
67.05502	5.8
69.03435	2.3
69.07054	3.7
70.79689	2.3
71.04979	2.9
76.06353	0.8
79.05501	8.8
81.07057	8.8
83.04979	2.6
83.08617	7.3
85.02896	1.9
85.06525	2.0
91.05481	4.8
93.07039	11.2
95.04967	3.8
95.08604	17.8
97.06515	5.6
105.07035	8.4
107.04955	13.2
107.08602	10.2
108.05730	1.2
109.06539	7.2
109.10162	4.1
111.08082	38.1
113.09624	2.4
114.82482	1.0
117.07018	1.6
119.08590	8.4
121.06500	2.2
121.10161	8.3
122.07312	1.8
123.08066	34.5
123.11676	1.5
125.09617	2.8
127.11139	1.0
128.06281	0.9
129.07039	1.2
131.08603	5.2
133.06520	2.3
133.10117	8.5
135.08070	5.6
135.11662	2.9
137.09590	3.2
139.07483	0.9
142.07835	1.2
143.08575	1.5
144.81876	0.8
145.10170	5.1
147.08029	3.1
147.11691	6.4
149.09610	7.1
149.13220	0.8
151.07547	100.0
155.10701	2.6
156.09364	1.6
157.10133	3.9
159.08031	2.0
161.09618	3.6
163.11192	3.1
165.09071	1.6
169.09949	0.9
169.12289	0.9
171.11685	2.7
173.09605	1.5
173.13277	8.1
174.10458	1.6
175.11183	5.3
177.09154	2.0
179.10629	4.9
181.12238	1.5
183.30284	0.9
185.13338	1.3
187.14833	1.0
189.12749	27.7
191.10686	1.0
191.14294	14.2
192.11430	5.3
197.11742	17.3
197.13316	2.1
205.12164	1.1
207.13806	68.0
211.13235	1.9
211.15013	1.0
213.16402	1.6
215.14319	3.7
217.12263	4.0
231.17439	2.5
233.15366	51.4
235.13254	0.9
249.18518	1.6
255.17401	2.6
273.18491	8.3
291.19543	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0974
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
66.55829	0.8
70.02966	1.3
70.03375	3.3
70.71432	0.8
85.43900	0.9
87.00821	2.4
88.04017	1.1
105.97970	0.8
115.05453	5.5
117.05746	2.0
118.06558	11.9
129.06995	1.0
130.06531	100.0
132.08099	36.9
142.06534	11.6
143.07317	2.0
144.08072	5.3
146.06010	17.9
154.06503	1.1
156.08124	5.5
157.07617	6.5
158.06042	1.3
158.08383	4.6
159.09183	87.6
160.07550	6.2
167.06038	2.3
169.07640	2.8
170.06013	31.2
170.07497	1.5
172.07579	1.3
174.03973	1.6
181.07582	2.5
182.06047	1.3
183.09180	5.9
184.07584	16.8
185.07111	41.0
187.08643	4.5
188.07077	40.4
188.08807	1.3
194.59348	1.0
199.08702	2.8
200.07083	9.5
201.10237	12.6
205.09792	1.4
209.07199	1.9
212.83458	1.0
227.08157	48.7
229.09779	2.9
229.12003	0.8
231.07593	2.3
245.09230	89.8
247.10869	0.9
255.07578	3.3
273.08743	11.3
291.09732	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	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.24453	0.5
51.53785	0.5
53.03954	0.9
55.01870	1.3
55.05511	5.2
57.03439	1.6
57.07073	3.3
59.04994	2.4
59.71479	0.5
65.03947	0.9
67.05509	6.2
69.03418	1.7
69.07076	3.2
69.87258	0.6
70.12927	1.9
70.13262	0.6
71.04990	3.9
79.05496	6.0
81.07066	10.3
83.04990	2.2
83.08624	5.5
85.02899	1.2
85.06522	3.1
86.65842	0.6
87.04460	0.6
91.05476	6.1
93.07050	10.0
95.04971	4.0
95.08611	15.1
97.06542	3.6
103.05476	0.6
105.07034	10.8
107.04965	5.2
107.08591	8.6
108.05742	0.9
109.06521	9.4
109.10156	4.7
111.04464	1.0
111.08086	27.9
113.06032	1.0
113.09644	1.6
117.07066	3.2
119.08579	11.9
121.06513	1.9
121.10155	6.0
122.07312	1.4
123.08072	34.0
123.11687	2.1
125.09661	1.0
128.06255	0.7
129.07016	1.8
130.07721	0.8
131.08578	7.5
132.51056	0.6
133.06508	3.5
133.10139	8.5
135.08044	7.2
135.11696	3.6
137.09618	4.3
139.11205	0.6
141.06886	0.6
142.07788	1.7
143.08565	3.3
144.09334	1.0
145.10132	16.3
147.08093	3.4
147.11690	7.8
149.09653	5.5
149.13254	1.3
151.07549	100.0
153.09119	0.9
155.08571	0.8
155.10692	2.0
156.09373	1.7
157.10107	5.2
158.10957	0.9
159.08060	2.0
159.11705	4.8
160.08784	0.7
160.68399	0.6
161.09642	4.9
161.13196	2.7
163.11154	3.9
163.14799	0.6
169.10048	0.8
169.12308	1.1
171.11664	5.2
172.12427	0.7
173.09541	1.3
173.13275	6.2
174.10403	1.6
175.11191	4.8
177.09145	1.9
177.12744	2.3
179.10661	5.5
181.10217	0.6
181.12209	1.7
182.10930	1.1
185.13293	1.9
187.11172	3.6
187.14850	2.0
188.12024	0.7
189.12747	26.6
190.13504	0.8
191.10608	0.9
191.14316	7.2
192.11440	4.9
195.11699	0.8
197.11725	16.6
197.13297	2.9
199.11238	1.2
203.14346	2.8
205.12279	1.2
205.15849	0.8
207.13812	62.7
210.13091	0.6
211.13155	0.7
211.14919	0.9
213.16431	2.9
215.14351	6.4
217.12250	3.2
229.15843	0.9
231.17465	2.4
233.15387	21.5
235.13373	2.0
247.17105	0.6
249.18607	1.4
255.17448	4.5
261.13095	0.7
273.18546	11.6
291.14679	7.3
291.19556	60.4
291.26840	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	291.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98318	1.0
54.64124	0.9
59.13404	0.9
63.04627	0.9
68.10466	0.9
69.17712	7.7
69.18137	4.1
87.00842	1.8
115.05457	3.9
117.05772	1.8
118.06541	10.4
130.06531	94.1
132.08089	36.1
142.06525	10.8
144.08083	5.7
146.06018	18.4
155.15648	1.0
156.02879	1.4
156.08101	2.8
157.07581	6.0
158.08417	5.4
159.09184	91.2
160.07579	6.7
167.05997	1.5
169.07603	2.7
170.06007	29.5
171.06743	1.3
172.07553	2.0
174.03963	1.4
177.23650	1.0
181.07657	1.9
182.06078	2.3
182.08444	1.0
183.09146	6.4
184.07603	15.3
185.07117	40.4
187.08659	3.7
188.07074	41.2
199.08655	2.4
200.07112	9.1
201.10254	13.1
205.09776	2.1
209.07005	1.2
227.08148	46.4
229.09698	5.2
231.07701	2.4
245.09227	100.0
255.07634	3.4
273.08707	14.0
291.09760	5.2
297.84888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10067	0.8
56.03320	0.9
56.50460	0.8
59.33208	0.8
59.48986	1.0
74.66355	0.8
87.00832	1.9
88.03993	1.8
115.05436	4.2
117.05775	1.6
118.06544	12.0
129.06992	1.1
130.06531	99.5
132.08098	33.3
142.06506	12.3
143.07292	2.0
144.04439	1.1
144.08131	5.4
146.06015	20.1
156.02960	2.0
156.08134	4.6
157.07681	4.8
158.06024	1.9
158.08377	4.2
159.09183	95.1
160.07600	6.1
167.06053	2.6
169.07596	2.9
170.06023	31.1
172.07555	1.9
174.03964	2.4
181.07585	2.1
182.06076	1.6
183.09193	6.0
184.07591	17.3
184.09065	1.7
185.07104	44.7
187.08699	4.1
188.07068	43.9
188.08810	1.1
199.08629	2.5
199.38222	0.9
200.07027	11.5
201.10251	14.7
205.09802	1.0
209.07085	1.8
211.08693	0.9
227.08147	43.4
229.09760	3.0
231.07697	2.6
245.09218	100.0
253.42580	1.1
254.65364	0.8
255.07689	4.7
273.08716	12.9
291.09772	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	290.2116
Annotation	Dyclonine
Peak:m/z	Relative Intensity
55.01866	0.3
55.05516	2.7
56.05033	0.4
56.05831	0.6
57.03428	0.3
57.07082	3.4
57.07354	0.4
58.06593	0.2
58.08357	0.2
59.04983	0.7
60.67757	0.2
61.12043	0.2
67.05180	0.2
67.05506	2.4
68.05836	0.5
69.03413	0.8
69.07072	13.2
69.88726	0.6
69.89126	0.5
70.06598	7.1
70.07403	2.7
71.08612	0.7
72.08131	0.3
73.06242	0.2
73.06557	2.1
79.05484	0.9
80.05820	0.4
81.07064	5.0
82.07384	1.9
83.08613	1.2
84.04502	1.3
84.08149	4.2
84.08947	0.7
85.02893	0.3
85.10162	0.6
86.09711	0.3
88.07100	0.3
88.07630	5.9
91.05481	1.5
92.05813	0.2
93.07051	2.5
94.07388	1.3
95.04951	0.4
95.08611	4.0
96.08943	1.6
97.06541	1.0
97.10168	0.5
98.06874	0.2
98.09744	0.3
98.10492	0.3
98.97585	0.3
99.08133	0.2
102.09157	0.3
104.47807	0.2
105.07039	1.5
106.06604	0.2
106.07358	0.6
106.08680	1.0
107.08597	2.3
108.04506	0.2
108.08925	1.3
109.06516	0.5
109.09568	0.2
109.10165	2.2
110.10484	1.2
111.08071	0.3
111.11733	2.0
112.12063	1.2
114.09177	1.9
117.06985	0.4
118.06549	12.7
118.08652	0.8
119.04937	0.7
119.07280	0.4
119.08594	1.0
120.08128	0.5
120.08899	0.7
121.06493	0.7
121.10155	2.3
122.09744	0.3
122.10482	2.3
123.04364	0.3
123.08061	0.5
123.11707	2.5
124.12035	1.7
126.05502	0.3
126.12785	1.2
127.03936	0.3
130.06584	0.3
130.08629	0.2
131.08514	0.4
132.08109	3.9
132.10207	9.2
133.08858	2.2
133.10101	0.8
134.09636	1.1
134.10521	0.4
135.08083	0.4
135.11649	0.8
136.07553	0.2
136.12030	0.6
137.09596	0.3
137.13248	0.4
138.13527	0.3
139.11168	1.4
140.11513	1.0
143.08485	0.2
144.13873	1.7
145.10109	0.3
146.05930	0.3
146.09615	4.0
146.10594	0.3
147.04417	2.4
147.10484	0.5
147.11684	0.6
148.07578	0.2
148.12117	0.9
149.13245	0.7
150.11269	7.6
150.13614	0.9
151.11188	0.7
152.11575	0.5
157.10168	0.2
159.11717	0.4
160.12152	0.5
161.12006	0.3
161.13249	0.6
162.13568	0.8
163.14796	0.4
164.11563	0.4
164.15082	0.4
165.12776	0.2
166.13089	0.2
168.14726	0.3
174.13623	0.2
175.14714	0.3
176.14349	68.3
177.14546	0.2
177.33270	0.2
178.16733	0.3
179.14252	0.5
180.14659	0.5
188.15173	0.3
189.16394	0.2
190.16805	0.5
192.17491	0.7
202.16724	0.3
203.81468	0.2
214.21687	0.6
216.13834	0.5
216.18268	0.6
228.23228	0.4
230.19568	0.2
232.13385	0.3
234.14867	0.4
234.19124	0.3
244.44673	0.2
246.15009	0.5
246.24271	2.5
272.12766	0.4
272.24457	1.8
279.36078	0.2
290.06390	0.8
290.18018	4.1
290.21170	100.0
290.26910	42.0
291.21454	0.8
291.26740	0.4
300.49017	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.2
56.05029	0.8
60.04517	0.5
60.05626	0.5
67.05492	1.3
69.03418	0.5
69.07031	0.6
70.06601	4.6
71.52149	0.8
72.04481	0.6
72.08172	2.2
79.05504	0.7
81.07043	1.0
82.06568	0.8
84.04473	1.3
84.07703	0.5
84.08151	6.6
85.06493	0.5
85.08430	0.4
86.09684	1.9
91.05467	1.4
93.07001	0.5
95.04963	0.4
96.08084	1.0
97.02869	1.2
98.09692	0.6
103.05444	0.6
105.07014	1.4
107.06084	0.6
109.07656	8.8
110.07144	0.8
112.08720	0.7
117.07021	0.5
119.04948	0.5
119.07341	0.6
119.74406	0.5
120.08112	4.2
121.06502	1.0
122.09699	0.5
129.10242	2.5
130.06570	0.5
131.08530	0.5
132.08171	0.8
134.09659	0.6
136.07591	1.1
143.11797	0.5
144.08083	0.6
144.13831	0.6
146.09628	1.3
147.04410	1.3
150.09193	0.5
157.07570	2.4
158.09634	4.5
159.09123	0.9
159.10326	0.5
160.07611	0.4
160.11224	1.8
161.11984	0.8
168.10172	0.6
171.10428	0.6
172.11247	4.2
173.10736	1.0
174.12770	1.2
183.09286	0.6
184.09924	1.1
185.10741	5.0
186.09123	1.7
186.12727	1.4
187.12294	0.6
188.09380	0.5
197.10710	1.2
199.12294	9.2
200.10759	3.4
200.12541	0.7
200.14400	5.2
201.10204	1.9
202.12447	0.8
202.15947	2.7
203.11781	5.0
211.12358	0.4
213.10197	1.5
213.13817	2.2
215.11867	1.9
216.12546	5.9
216.14542	0.7
226.10973	0.8
227.11876	4.4
227.15421	7.0
228.13823	2.5
228.16066	2.1
229.17017	2.5
230.12926	0.7
232.13152	0.6
237.13907	1.1
243.14928	0.6
244.06763	0.5
244.09587	0.5
245.16505	38.4
246.16927	0.6
255.14938	19.2
263.17499	3.5
272.17572	100.0
273.15805	0.8
290.06378	1.1
290.10269	0.7
290.15573	0.5
290.18680	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	290.2114
Annotation	Dyclonine
Peak:m/z	Relative Intensity
55.01862	0.8
55.05510	1.7
56.05030	0.3
56.05835	0.3
57.03426	0.4
57.07071	0.5
59.04995	0.2
65.15662	0.2
67.05520	1.4
68.05835	0.3
69.03435	0.4
69.07068	5.0
70.01617	0.4
70.02002	0.6
70.06604	1.5
70.07404	0.8
71.04993	0.3
71.08613	0.2
73.02921	2.4
73.06556	1.9
79.05483	0.9
80.05015	0.3
80.05817	0.3
80.24498	0.2
81.03387	0.4
81.07053	2.6
82.07375	0.5
83.04975	0.3
83.08602	0.4
84.04510	2.1
84.08149	3.2
85.02901	0.5
85.06523	0.2
86.09704	0.3
88.07615	0.7
91.05483	1.2
93.07055	1.9
94.07377	0.4
95.04959	0.3
95.08590	1.5
96.08952	0.6
97.06525	0.8
97.10136	0.3
98.09657	0.3
98.20913	0.3
98.97585	0.5
103.03933	0.4
105.07040	1.2
106.06554	0.3
106.07352	0.5
107.08601	1.7
108.04486	0.3
108.08941	0.6
108.18935	0.2
109.10144	1.6
110.10445	0.6
111.11744	0.5
112.12112	0.4
114.09192	0.3
117.06990	0.4
118.06544	8.4
119.04926	0.6
119.07309	0.4
119.08569	1.0
120.08125	0.7
121.06495	0.5
121.10136	1.2
122.09673	0.3
122.10492	0.8
123.08107	0.4
123.11688	0.9
124.12049	0.7
126.05535	0.4
126.12801	1.2
129.10097	0.3
131.08574	0.6
132.08104	2.7
132.10188	0.8
133.08859	1.3
133.10133	0.5
134.09605	0.6
135.08075	0.4
135.11674	0.7
136.12083	0.3
137.09608	0.3
137.13255	0.3
139.11203	0.4
144.13826	1.5
146.09605	2.5
147.04422	2.5
147.10439	0.5
147.11615	0.5
148.12148	0.2
149.13243	0.7
150.11252	0.6
150.13660	0.3
158.99681	0.4
159.11708	0.4
160.12204	0.3
161.11922	0.3
161.13245	0.6
162.13625	0.3
163.11192	0.2
163.14737	0.3
165.09103	0.3
166.09468	0.4
168.61166	0.2
174.13747	0.3
176.14348	40.1
177.14798	0.3
184.12128	0.3
200.40938	0.3
202.15907	0.8
228.23204	0.3
232.13385	0.7
237.18608	0.3
246.14790	1.5
247.15663	0.3
257.83261	0.3
260.11710	0.3
260.16376	0.8
272.16586	0.3
272.24521	0.7
290.18008	3.4
290.21140	100.0
290.25854	4.7
291.21521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.7
55.01893	0.8
55.05507	1.6
56.05033	2.4
57.03450	6.9
65.03967	0.8
67.05511	5.4
69.03430	2.1
69.07061	2.2
70.06603	3.2
71.05003	1.5
71.51737	0.8
72.08147	2.1
79.05502	2.9
80.05027	0.8
81.03426	0.9
81.07067	4.8
83.04991	0.8
84.04517	4.9
84.08156	66.9
84.80899	0.5
85.02898	1.0
86.09703	1.6
91.05496	9.0
93.05785	0.7
93.07058	3.4
95.04961	0.9
95.08605	2.1
96.04504	0.9
96.08928	0.8
97.02891	1.8
97.06568	1.5
98.09698	1.9
98.97608	1.6
102.05564	0.8
103.03961	1.0
105.07034	3.5
106.06556	1.0
107.08585	1.7
108.04496	1.3
109.06519	0.6
109.10151	2.2
110.06060	1.3
115.05525	0.6
117.07050	3.0
119.04964	26.6
119.08595	1.1
120.04499	0.5
120.08140	2.8
121.05256	0.9
121.06541	1.1
121.10198	1.0
122.06054	1.9
123.08128	0.6
123.11755	0.8
126.05534	1.1
126.12815	41.7
129.07011	1.5
131.08583	1.3
132.08112	1.4
133.06474	2.1
133.10228	1.2
134.06035	1.3
135.08025	1.1
136.07582	1.7
143.08524	0.9
144.13860	67.8
145.10127	3.0
146.06001	1.7
147.04431	100.0
148.07596	0.8
150.09148	1.7
151.11226	1.0
154.05089	0.6
155.08636	0.9
156.07942	0.7
159.08051	0.9
160.05153	0.7
160.07603	6.4
160.11203	1.2
161.05994	2.4
162.09204	0.9
165.66467	0.5
170.09679	0.6
172.07576	1.5
174.09171	4.2
175.07587	1.0
176.07088	0.7
176.10710	1.0
176.14336	0.7
177.11610	0.7
178.08679	3.3
178.75089	0.6
188.10695	4.5
192.10188	1.5
194.08286	0.7
198.09181	1.0
206.08153	2.0
206.11760	3.6
216.10307	1.8
216.13959	1.1
218.08206	1.7
219.08873	3.1
226.12300	1.1
228.10202	0.6
234.11295	31.7
237.18604	1.4
244.13361	2.1
246.11325	0.9
246.14943	1.3
254.11748	1.4
262.14462	1.2
272.12805	6.8
272.16611	0.8
272.25101	0.5
290.06821	2.6
290.13940	46.7
290.17575	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01873	6.5
55.05510	15.2
56.05029	2.3
56.08561	2.4
57.03441	25.2
61.38261	2.9
65.00437	2.6
65.03924	2.6
67.05511	19.8
69.03425	6.5
69.07078	15.2
69.58277	11.6
70.06558	3.3
79.05058	4.6
79.05487	36.6
81.03437	3.5
81.06590	5.5
81.07058	100.0
82.06574	3.4
82.07401	2.8
84.04512	12.2
84.08153	19.6
85.02885	4.2
86.09720	13.4
88.07688	3.1
91.05496	18.5
93.07054	14.0
94.02924	5.1
94.06579	11.9
95.04969	13.1
95.08607	6.9
96.04511	4.4
97.06527	53.9
99.08113	3.9
104.10764	5.6
105.07040	17.2
106.06544	9.4
107.07327	4.0
107.08582	4.7
108.08128	6.0
109.06526	6.0
110.06035	3.8
117.07041	4.1
118.06554	9.1
119.04948	4.1
119.08563	7.8
120.08103	9.6
121.06496	5.0
121.10168	4.1
122.06050	3.1
122.09719	3.2
123.08065	7.4
123.11729	2.6
125.00005	9.0
126.05539	3.7
126.12786	8.6
127.07558	56.1
129.06992	2.8
131.08597	12.5
132.08105	24.1
132.99654	4.0
133.08888	6.3
133.10104	7.2
134.06049	20.8
135.07977	3.3
136.07602	3.5
142.98027	5.3
143.08574	2.8
144.13831	20.5
144.99554	3.7
146.06084	2.8
146.09634	7.5
147.04398	27.5
147.06886	5.5
147.08038	3.3
148.07550	7.0
148.11208	8.5
149.09625	6.4
156.78865	2.7
158.09758	3.1
159.10304	3.1
160.07594	7.5
161.08347	5.3
161.09665	2.8
162.09171	4.1
164.10667	12.2
174.09161	6.2
176.10718	74.2
177.09193	3.6
184.07323	13.7
186.09070	5.9
188.14299	13.3
189.11490	4.6
190.12314	11.3
194.11844	12.4
204.10115	4.3
216.13861	24.6
218.11792	6.1
218.15358	11.9
234.14906	33.6
240.09885	5.5
240.18315	2.6
246.14920	30.9
272.16553	8.1
272.20795	3.2
290.13977	7.3
290.17554	41.8
290.21945	17.9
290.26523	4.2
290.28668	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	290.1749
Annotation	3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one
Peak:m/z	Relative Intensity
55.05514	1.2
56.05035	3.6
58.06615	0.4
65.03920	0.4
67.05505	4.5
70.06600	1.4
70.82908	1.0
81.07040	0.5
84.08144	100.0
91.05489	4.2
94.56596	0.3
97.08882	0.8
98.09691	2.5
109.10165	1.3
119.04945	18.6
122.32445	0.3
124.11215	0.4
126.12794	54.1
144.13838	39.3
147.04410	85.3
192.16338	0.3
272.32590	0.3
290.17502	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1749
Annotation	Mesembrine
Peak:m/z	Relative Intensity
52.64226	0.5
56.05028	1.3
62.19614	0.5
65.03942	1.1
67.05506	2.1
67.10648	0.5
70.06602	0.8
70.39440	1.8
74.37286	0.5
84.08146	41.1
91.04914	0.7
91.05483	9.5
98.09716	1.2
98.20801	0.5
102.52734	0.5
104.34908	0.5
104.57654	0.5
108.67845	0.5
109.10155	0.8
119.04945	28.6
126.11835	0.8
126.12799	30.0
144.13841	76.8
147.04414	100.0
192.50992	0.5
197.08780	0.5
269.18292	0.6
278.64746	0.5
290.17511	40.2
291.17734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.139
Annotation	Trianthine
Peak:m/z	Relative Intensity
53.03912	1.0
55.01836	1.6
55.05468	1.3
56.04993	1.3
57.03379	18.4
57.03682	1.6
57.07022	0.6
67.05441	2.2
69.03365	3.3
69.07012	1.3
70.06535	2.8
72.08082	0.9
74.09762	0.6
79.05494	3.5
81.03356	2.0
81.07066	4.3
83.04934	0.7
84.04506	3.1
84.08144	21.4
85.02869	1.0
86.09669	0.9
91.05480	5.1
91.20340	0.6
93.05734	1.4
93.07067	5.5
94.06508	1.7
94.07313	0.6
95.04886	1.8
95.08541	1.5
97.02834	2.7
97.06488	0.9
98.09660	1.2
102.05454	1.6
103.05425	0.8
105.03317	0.6
105.07035	5.9
106.06524	1.4
107.04897	1.2
107.08533	1.7
108.04414	1.6
108.08076	0.8
109.02835	0.9
109.06454	1.5
109.10108	0.9
110.05972	1.8
110.07173	0.7
111.74725	0.6
115.05421	1.2
117.05693	0.7
117.07024	7.0
118.06484	2.3
119.04950	9.0
119.08546	1.5
120.04401	0.8
120.08131	3.6
121.05194	2.0
121.06506	2.8
121.10091	1.2
122.06040	3.2
126.12803	10.9
129.06975	1.3
130.06468	0.8
131.07230	0.9
131.08492	2.3
132.04373	0.9
132.08095	4.0
133.06477	3.5
134.05954	2.2
134.09605	1.3
135.07979	1.7
136.07501	1.9
142.06458	0.6
143.08505	2.0
144.07965	1.0
144.13852	15.9
145.05174	1.3
145.06375	0.8
145.09055	0.7
145.10138	7.2
146.06021	3.4
146.09590	1.8
147.04413	25.9
147.06752	1.3
147.07974	1.7
148.07515	2.0
149.05902	1.0
149.09578	0.9
150.09160	5.0
154.04926	0.7
158.07211	0.6
159.06691	0.9
160.07579	15.0
160.11197	2.5
161.05994	7.2
161.08296	1.5
161.09584	0.7
162.09105	1.1
166.08667	1.0
170.09706	0.7
172.07573	3.2
173.09526	1.4
174.09166	9.3
175.07608	2.9
176.07001	1.2
178.08676	9.2
184.07512	1.1
186.09125	1.2
187.09866	1.4
188.10698	9.4
189.09146	1.4
190.12274	1.1
190.36722	0.6
191.10677	0.9
192.10158	2.7
193.07317	1.7
194.08083	1.0
198.09087	1.9
198.12827	1.5
199.07526	1.0
206.08168	4.8
206.11766	10.2
208.06029	1.0
215.12906	0.7
216.10201	4.4
216.13795	0.8
218.08131	6.6
219.08928	6.6
226.12245	2.6
228.13916	1.0
229.45770	0.8
233.10629	0.8
234.11261	86.6
244.13422	2.6
244.16977	0.7
246.14938	1.1
254.11775	2.3
262.14407	2.4
272.12839	5.9
272.16110	3.6
290.13931	100.0
290.17502	17.6
290.57050	0.8
291.14240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1389
Annotation	Trianthine
Peak:m/z	Relative Intensity
53.03929	1.6
55.01859	1.1
55.05486	1.3
56.05011	0.8
57.03442	17.6
65.99281	0.6
66.21877	0.6
67.05497	3.1
69.03414	3.3
69.07044	1.4
69.67651	2.3
69.68079	1.4
70.06555	2.8
72.08133	1.2
79.05453	2.8
80.04996	0.9
81.03401	1.1
81.07063	3.0
83.04961	0.9
84.04527	3.0
84.08147	16.9
85.02890	1.4
86.09673	1.3
91.05487	4.1
93.05775	1.2
93.07047	5.8
94.06559	1.3
95.04950	1.4
95.08627	1.2
96.04476	1.1
96.08914	0.7
97.02862	1.8
97.06501	1.4
98.09652	0.9
98.20760	1.1
102.05514	1.7
105.07040	5.6
106.06522	1.4
107.04930	1.7
107.08559	1.9
108.04458	1.3
108.08086	1.0
108.08864	0.8
109.02854	1.1
109.06481	1.8
109.10140	1.3
110.06020	2.5
115.05452	1.0
117.07014	7.5
118.06506	1.6
119.04936	7.0
119.08591	1.2
120.04436	1.0
120.08103	3.7
121.05225	1.7
121.06528	3.1
121.10136	0.9
122.06033	3.1
122.09647	1.3
123.11674	0.8
126.05486	0.8
126.12791	9.0
128.06175	0.9
128.07063	1.3
129.07016	1.0
131.08525	1.7
132.08099	3.4
132.08904	0.6
133.06473	3.2
133.10081	0.7
134.05994	1.8
134.09636	1.3
135.08035	2.2
136.07561	1.5
139.03897	0.7
143.08534	1.6
144.08009	0.9
144.12791	0.8
144.13860	12.0
145.05177	1.0
145.09004	1.0
145.10109	6.0
146.05980	3.3
146.09616	1.9
147.04410	16.4
147.08084	1.4
147.11685	0.6
148.07573	2.2
149.05981	1.1
150.09206	3.6
150.96913	0.6
154.04970	1.1
155.08554	0.9
157.06541	0.7
159.08084	0.8
160.07585	15.3
160.11194	2.3
161.05998	8.6
161.08339	1.8
162.09113	0.8
166.08527	0.8
170.09686	0.9
171.08026	0.7
172.07558	2.2
173.08298	0.8
173.09644	1.2
174.09119	7.3
175.07535	2.5
175.09848	1.0
176.07057	1.0
178.08656	9.4
180.06532	0.7
184.07588	1.3
188.10727	9.1
190.12267	1.4
191.10733	1.1
192.10175	1.9
193.07364	1.6
194.08128	1.5
198.09111	1.8
206.08200	5.3
206.11760	12.7
215.13060	0.8
216.10255	4.5
218.08162	6.0
219.08884	8.8
226.12219	1.1
233.10271	0.8
234.11263	91.8
244.13286	3.5
246.14810	1.4
248.12688	0.8
254.11778	2.7
262.14383	1.7
272.12860	8.7
272.16531	2.7
290.13910	100.0
290.17468	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	290.1387
Annotation	Trianthine
Peak:m/z	Relative Intensity
53.03942	0.6
55.01879	2.2
55.05504	0.5
56.05019	0.9
56.31376	0.2
56.82244	0.3
65.03947	0.5
67.05489	0.5
69.03429	0.5
70.09045	0.4
70.09386	1.1
74.15652	0.3
74.91418	0.2
77.03950	0.3
79.05492	2.5
80.05004	1.0
81.03412	0.8
81.07053	3.6
82.02957	0.3
82.06578	0.5
84.04491	0.3
88.03973	0.3
91.05481	3.7
93.07049	1.9
94.06570	0.8
96.04486	1.0
97.02888	0.5
103.05473	0.5
105.07041	8.1
106.06558	1.3
107.04951	0.5
107.08575	1.2
108.04473	5.5
108.08165	0.3
109.02882	0.3
109.05258	1.7
110.02383	0.4
110.06071	0.4
115.05446	0.6
116.06272	0.5
117.05758	0.7
117.07040	1.5
119.08572	1.2
120.04469	0.4
120.08065	0.3
122.02400	0.3
122.06049	1.9
123.39962	0.3
126.05519	0.3
128.06203	1.0
129.07002	2.3
130.06529	0.8
130.07823	0.3
131.04919	0.6
131.08595	3.4
132.04436	0.8
132.08105	0.8
133.05231	2.3
133.06252	0.3
133.10141	2.1
134.06035	2.5
136.03868	0.4
141.07004	0.8
142.07790	0.9
143.07376	0.6
143.08556	1.3
144.08057	0.9
145.06465	0.6
145.10121	2.1
146.06013	0.9
148.03958	1.7
148.07539	1.3
150.05534	2.2
153.07054	0.4
154.07724	0.3
155.08562	2.0
156.08086	0.4
156.90863	0.3
157.06531	0.6
157.08913	0.5
157.10147	1.0
158.06041	1.2
158.07234	0.5
158.09656	0.9
159.06903	0.4
159.08055	2.1
159.11818	0.3
160.07607	5.5
161.09608	1.4
164.07054	0.5
165.06999	0.3
166.05054	0.4
167.07361	0.8
168.08070	0.4
169.10117	0.6
170.09647	0.4
171.08051	0.7
171.11665	0.3
172.07631	1.9
172.11214	0.9
173.09669	1.6
174.05493	0.7
174.09059	0.4
176.07048	0.6
180.06558	0.8
180.07999	0.4
182.09631	0.5
183.08057	0.4
185.08415	0.4
186.09119	1.0
188.14442	0.6
189.09174	1.8
192.06601	1.4
197.09564	0.4
198.07530	0.3
198.09207	0.4
198.12827	0.4
199.11270	0.6
200.10701	2.8
200.14375	0.4
201.09109	1.7
202.08572	0.5
204.06570	16.1
214.12283	0.9
216.13916	0.6
218.11743	1.3
222.07617	15.8
226.12410	0.6
228.13852	0.9
228.23264	0.6
232.13284	0.5
242.11652	0.7
244.13417	0.6
246.14861	0.5
254.11713	0.5
260.12823	1.0
272.12830	6.7
290.13870	100.0
290.26547	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1388
Annotation	Trianthine
Peak:m/z	Relative Intensity
53.03950	0.6
55.01860	1.2
55.05515	0.8
56.05020	1.0
57.03425	0.6
57.07059	0.6
63.20790	0.3
64.90534	0.4
65.03934	0.7
67.05498	0.9
69.31310	1.7
69.31734	1.5
70.06606	2.1
79.05125	0.4
79.05503	4.1
80.04989	0.6
81.07066	6.6
82.06598	0.6
84.04503	0.7
84.08141	0.6
88.07642	2.2
91.05483	5.4
93.07056	2.9
94.06593	0.6
95.04969	0.9
95.08589	0.4
96.04501	1.5
97.02889	1.0
98.20812	1.0
102.09180	1.2
103.05476	0.7
105.07043	9.5
106.06573	0.7
107.04948	1.1
107.07315	0.4
107.08590	1.3
108.04485	3.6
108.08149	0.4
109.05268	4.1
110.06078	1.0
115.05488	0.4
116.06242	0.4
117.07023	2.2
119.04932	0.8
119.08602	2.4
120.04477	0.9
120.08071	0.8
122.06039	1.5
124.07594	0.5
124.69310	0.4
126.01843	0.8
126.05526	1.0
128.06183	0.9
129.06998	1.8
130.06529	0.7
131.08586	3.3
132.04437	0.7
133.05249	2.0
133.06439	0.5
133.10144	2.1
134.06013	1.6
134.09666	0.6
136.07550	1.0
141.06990	0.8
142.07755	0.9
143.07356	0.6
143.08525	1.1
144.08075	0.7
145.06415	0.9
145.10144	1.9
146.06006	1.8
147.04408	1.0
147.08049	0.7
148.03928	1.1
148.07590	2.7
150.05548	0.9
155.08543	1.1
156.09364	0.5
157.06596	0.6
157.10110	1.0
158.06017	1.0
158.09645	1.3
159.08057	2.2
160.07607	2.8
160.08800	0.6
161.09636	1.2
162.05486	0.6
162.09149	0.4
164.07056	3.1
167.07385	0.5
169.10123	1.1
171.08075	0.5
172.07553	1.9
172.11232	1.1
173.09636	1.7
174.05536	2.9
176.07138	0.9
176.10710	0.7
177.11476	2.2
180.06552	0.5
181.10306	0.4
182.09668	1.2
183.08076	0.5
186.09174	0.7
188.10760	1.4
189.09113	1.0
190.12337	0.5
192.06575	6.0
196.11162	0.6
197.09686	1.0
198.07643	0.7
199.11293	0.5
200.10703	4.3
200.14427	0.5
201.09142	1.6
204.06589	0.6
214.12299	1.5
222.07634	23.9
226.12140	0.6
228.23235	3.5
232.13387	2.1
242.11813	1.8
260.12787	3.4
261.10132	0.6
262.14481	2.0
272.12909	1.2
290.13885	100.0
290.26874	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	290.1389
Annotation	Trianthine
Peak:m/z	Relative Intensity
51.70838	0.2
55.01879	2.6
55.05504	0.7
56.05032	0.5
67.05504	0.9
69.03440	0.2
69.07065	0.7
69.78092	0.9
70.06592	0.6
79.05496	1.7
80.05016	0.6
81.03415	0.4
81.07071	2.7
82.02966	0.3
82.06557	0.4
82.07394	0.3
84.04514	1.1
84.08167	1.0
85.02917	0.3
88.07640	0.3
91.05480	2.5
93.05781	0.2
93.07047	1.4
94.06570	0.4
95.04959	0.3
95.08613	1.2
96.04480	0.6
96.08926	0.4
97.02886	0.6
97.06537	0.2
98.21577	0.2
100.70115	0.2
102.09189	0.3
103.03926	0.2
103.05470	0.5
105.07041	3.6
106.06548	0.8
106.07279	0.2
107.07367	0.9
107.08607	1.0
108.04483	1.6
108.08141	0.3
109.05262	0.4
109.10162	0.5
110.02390	0.2
110.06032	0.3
110.10479	0.5
115.05453	0.4
116.06201	0.3
117.07057	0.9
118.06522	0.4
119.04910	0.5
119.08609	1.0
120.04464	0.5
120.08099	0.7
121.06534	0.2
121.10142	0.3
122.06020	1.0
123.11707	0.5
126.05489	0.5
126.12753	0.4
128.06241	0.5
129.07036	1.2
130.05011	0.2
130.06557	1.1
131.04935	0.6
131.07655	0.2
131.08569	1.9
132.04445	0.3
132.08089	0.4
133.06468	0.2
133.10146	1.5
134.06015	1.5
135.11682	0.2
136.07585	0.3
137.09695	0.2
141.07001	0.4
142.06596	0.2
142.07742	0.3
143.07321	0.9
143.08591	0.6
144.05663	0.3
144.08099	0.9
144.13828	0.5
145.06479	0.6
145.10124	0.6
146.06006	0.7
146.09621	0.2
147.04411	0.8
147.06819	0.4
147.07999	0.3
148.03984	0.5
148.07570	1.9
150.05469	0.4
154.06543	0.3
155.08542	0.5
156.08083	0.7
157.06499	0.5
157.08925	0.3
157.10089	0.4
158.06032	4.3
158.07346	0.3
158.09665	3.7
159.06891	0.3
159.08084	0.8
159.11665	0.3
160.07567	1.2
161.09616	0.4
162.05580	0.3
162.09196	0.4
164.10735	0.3
166.04993	0.3
167.07370	0.3
169.10127	0.3
170.06007	1.1
170.09653	0.8
171.06766	0.7
171.08086	0.3
171.10419	0.6
171.11760	0.3
172.07579	6.1
172.11205	0.5
173.09634	0.8
174.09161	0.7
176.07080	0.8
176.10722	0.4
177.11519	3.3
180.06592	0.3
182.09647	0.4
184.07591	0.6
185.08305	0.3
186.09161	2.8
188.07066	0.3
188.10687	1.1
189.09207	0.4
192.10182	0.3
198.09157	0.9
199.09798	1.2
200.07127	0.4
200.10692	2.1
200.14372	0.8
201.09163	0.4
201.11504	0.8
202.08655	1.0
204.06503	0.2
213.07697	0.3
214.08583	0.3
214.12306	0.7
215.10785	0.4
216.13875	0.6
218.08247	0.3
218.11751	4.4
218.15239	0.2
226.12357	0.2
228.13855	2.2
228.23296	1.0
230.08105	1.2
231.08896	0.2
232.13379	0.6
242.11795	1.4
243.08888	1.5
244.13382	1.4
246.14941	1.1
248.09271	0.5
260.09351	0.3
260.12823	4.3
261.09952	2.3
262.14401	0.3
272.12827	17.7
272.24350	0.3
290.13879	100.0
290.26501	2.0
291.14163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01860	3.3
55.05501	7.5
56.05043	9.7
57.03438	11.9
57.07066	8.7
58.06590	8.0
59.02806	1.8
66.03461	1.7
67.05507	14.0
69.03435	3.2
69.07066	6.3
70.06571	6.0
71.08643	4.6
71.52151	3.4
72.08158	2.6
74.06096	9.8
79.05511	13.2
81.03396	4.3
81.07050	7.3
82.06566	2.9
84.04498	8.9
84.08153	28.2
85.02892	2.5
85.06535	4.8
86.07854	1.8
88.07633	37.8
91.05487	11.6
93.07061	15.5
94.02934	25.4
94.06567	3.3
95.04974	14.3
95.08604	5.0
97.06535	42.1
103.03951	2.6
105.04554	2.0
105.07056	10.4
106.06534	4.9
107.04974	2.9
107.08583	5.4
108.08123	12.4
108.48611	2.3
109.06504	4.2
109.10184	2.3
112.07588	7.9
117.07050	3.0
118.08640	6.5
119.04922	8.2
119.08553	4.0
120.08097	8.8
120.08890	2.3
121.06492	5.0
122.06097	2.3
122.08155	4.4
124.07590	4.3
126.12820	10.7
129.07036	2.2
130.06578	2.1
133.06487	6.1
134.06039	13.6
135.08083	15.6
136.07587	100.0
143.08542	2.4
144.13849	13.6
145.10094	2.3
146.09612	2.2
147.04413	23.1
147.06850	2.9
148.07523	2.9
150.09154	2.0
155.66359	2.2
160.07607	4.8
160.11157	3.9
162.09158	2.6
164.10701	3.5
169.10172	2.0
174.09085	3.4
176.07094	2.4
176.10695	2.7
178.04993	2.2
179.07042	3.2
186.26538	2.3
188.10754	9.6
193.12254	2.4
194.08136	45.9
196.09578	3.1
204.10168	2.7
216.10277	12.1
216.14146	3.5
217.10991	3.2
218.11734	2.3
228.23222	3.3
234.11275	27.6
242.24792	32.1
244.13336	7.0
262.14417	6.0
272.16660	2.9
289.28894	3.0
290.08719	3.5
290.13876	50.0
290.17587	20.3
290.21848	4.3
290.26892	79.9
291.19302	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
51.19561	1.0
53.03933	3.6
55.01857	2.7
55.05513	18.4
56.05031	1.1
56.96549	1.2
57.03419	3.5
57.07083	8.4
59.04994	2.9
60.65066	0.9
65.03933	1.7
67.05136	1.2
67.05505	29.1
69.03435	5.9
69.07072	56.2
70.06593	6.1
71.04990	4.5
71.08628	1.7
71.51648	1.5
72.08133	2.0
77.03931	1.1
79.05090	1.2
79.05500	17.7
81.03403	3.9
81.07059	100.0
83.04963	4.2
83.08623	11.4
84.04496	1.1
84.08137	9.0
85.02908	6.4
85.06532	3.3
86.09684	4.3
91.04964	1.6
91.05481	15.1
93.07047	36.6
95.04964	9.6
95.08612	92.8
96.08144	1.1
97.02876	3.7
97.06526	8.2
97.10170	7.0
98.09699	36.0
98.97561	1.1
99.04468	6.9
99.08083	1.8
99.10025	17.2
100.20281	0.9
103.03938	1.7
103.04877	1.1
103.05477	8.8
104.05801	5.8
105.07036	22.8
107.04952	2.6
107.08599	35.4
109.02214	0.9
109.02876	3.8
109.06532	6.0
109.10165	40.0
111.08089	3.6
111.11729	11.0
113.09608	1.3
117.06984	4.2
118.06474	1.3
119.04951	0.9
119.08587	23.1
120.08083	4.4
121.02834	1.1
121.06473	4.0
121.10140	28.7
122.05968	1.1
123.08021	2.7
123.10835	1.8
123.11713	30.6
124.07557	2.0
125.09612	3.0
127.03915	12.6
128.06128	1.4
129.07008	2.5
129.10263	2.6
130.06410	1.0
131.04042	1.4
131.04941	18.3
131.08580	8.2
132.05257	16.0
132.08925	1.1
133.06418	1.1
133.10141	18.1
134.05969	1.0
135.08041	4.2
135.10712	1.7
135.11700	28.3
136.07564	2.1
137.09610	2.2
137.13257	51.1
139.11194	8.8
140.14352	11.4
141.14688	11.7
143.08484	2.8
144.13895	1.0
145.04872	1.3
145.06474	1.2
145.10103	9.9
146.05959	2.1
147.04358	1.7
147.08078	2.2
147.11679	13.5
148.07513	2.4
149.05984	2.2
149.09627	2.3
149.12224	1.6
149.13272	17.7
151.11134	3.6
151.14729	1.3
151.70364	1.0
153.01808	1.2
153.12688	1.3
155.08571	1.3
157.10127	1.9
158.06052	1.1
158.15427	7.4
159.08006	3.9
159.11705	11.0
159.15765	6.3
161.09572	2.5
161.13231	10.7
163.07500	1.5
163.11171	1.7
163.14838	7.9
164.07069	15.5
165.12726	3.6
169.10014	1.4
171.11639	1.3
171.13850	1.1
173.05939	1.3
173.09589	2.0
173.13277	7.8
174.05324	1.2
175.14844	8.1
176.10605	1.1
177.16411	5.4
179.14240	1.5
185.09514	1.3
186.08777	1.0
187.11124	1.1
187.14871	5.7
189.16423	5.1
191.10677	1.0
191.17897	2.9
199.14743	0.9
201.16380	5.3
203.17909	2.3
204.03902	1.1
215.18040	5.1
219.17421	1.2
225.12738	1.7
228.13734	1.2
229.15779	1.9
229.19591	1.1
231.20926	1.8
233.18867	1.3
243.13733	1.2
244.13257	1.1
245.22556	1.8
247.20642	1.0
247.73003	1.0
253.12268	2.0
253.15863	1.5
261.13162	1.4
271.14099	5.1
271.16910	3.8
271.24249	18.6
272.12851	1.5
289.06058	5.8
289.12512	7.2
289.15286	13.4
289.20294	39.3
289.25171	51.1
290.06042	1.0
290.17441	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	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03940	2.0
55.01870	1.1
55.05513	19.2
57.03438	1.8
57.07082	5.5
59.04988	1.4
67.05192	0.8
67.05513	11.7
68.32059	0.7
69.03422	1.7
69.07072	59.1
70.90510	1.7
70.90856	1.1
71.04982	1.4
71.08617	1.1
73.06519	0.8
75.56511	0.7
77.84299	0.7
79.05499	6.3
81.07063	40.2
83.04980	2.0
83.08150	1.2
83.08621	14.5
85.06522	1.5
85.26638	0.6
89.02225	0.7
89.23562	0.8
89.90337	0.7
91.05502	5.3
93.07050	24.6
93.07642	1.3
94.30291	0.7
95.04962	1.1
95.08614	27.4
97.06544	5.0
97.10172	4.5
98.09673	3.1
99.04444	0.9
99.10032	1.4
101.69470	0.7
105.07044	13.1
106.53439	0.6
107.08604	19.6
109.06525	3.0
109.10165	24.0
111.08105	1.6
111.11732	11.8
117.07037	1.9
119.08585	10.3
121.06579	1.4
121.10153	29.4
123.08059	2.1
123.11713	28.9
125.09647	0.8
131.08574	3.3
133.10136	9.1
135.08063	1.2
135.11705	7.2
137.09595	1.7
137.13240	6.0
139.03905	1.0
139.11206	10.6
141.01990	0.6
141.14630	1.1
145.10109	4.4
147.11703	7.9
149.09642	1.4
149.13263	8.1
151.11223	7.4
151.14841	1.3
153.12772	1.0
159.11710	5.6
161.05977	0.8
161.13303	8.6
163.11171	1.4
163.14810	4.7
165.00932	0.8
165.12769	4.7
167.14282	2.0
171.80757	0.8
173.13298	4.3
175.14917	4.9
176.14355	2.4
177.12798	1.9
177.16382	4.2
179.14328	6.5
187.14763	3.7
189.16438	4.0
191.14328	1.5
191.17947	0.9
193.15897	1.4
201.16348	2.5
203.17964	1.1
205.15767	1.0
207.17503	1.3
215.17955	3.8
217.19496	1.4
219.17464	4.0
229.19540	1.7
233.19058	1.3
271.24237	12.4
289.06143	5.1
289.20096	2.8
289.25269	100.0
290.21182	3.1
290.26956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03938	3.5
55.01869	2.9
55.05516	19.6
57.03429	3.2
57.07082	5.4
57.11639	1.1
59.04987	3.1
65.03927	2.1
67.05509	31.1
69.03416	3.2
69.06730	1.7
69.07073	24.5
70.06579	3.6
71.05003	6.2
71.08619	1.4
71.52097	1.5
72.08142	1.4
79.05070	1.9
79.05495	17.7
80.81435	1.0
81.03400	1.7
81.07063	86.9
83.04991	5.4
83.06121	1.1
83.08626	19.4
84.04485	3.6
84.08167	5.5
85.02895	1.5
85.06553	6.2
86.09686	2.3
91.05486	15.5
93.07050	42.6
93.07639	2.1
95.04949	5.4
95.08614	89.1
97.06541	9.7
97.10158	5.2
99.08070	2.8
103.05460	1.4
105.04495	1.6
105.06398	1.9
105.07040	24.5
107.04975	1.8
107.08606	36.0
108.04519	1.6
109.06503	4.4
109.10162	57.4
111.08066	4.8
111.11705	4.1
113.09634	1.4
117.07018	4.0
119.08595	22.0
120.08100	1.7
121.06500	7.4
121.10145	28.2
123.08057	3.7
123.11713	49.9
125.09644	5.2
127.03934	5.2
129.06973	3.0
129.10205	2.1
131.08568	8.2
131.21970	1.2
133.06448	1.4
133.10135	16.6
135.08041	7.5
135.11703	21.7
137.09607	3.1
137.13275	15.7
139.03831	1.2
139.11221	2.1
142.07706	1.8
143.08572	3.2
145.06430	2.2
145.10103	10.6
147.08022	3.3
147.11697	16.6
147.15854	1.3
148.07597	1.3
149.09572	1.0
149.13269	13.2
150.09027	1.3
151.07474	1.3
151.11195	6.8
151.14838	1.3
153.09096	2.0
153.12708	1.3
155.08624	1.3
157.10121	2.9
158.06006	1.7
158.09581	2.3
159.08047	4.4
159.11676	9.8
161.09642	2.3
161.13306	11.2
163.07553	2.3
163.11183	2.4
163.14844	7.4
165.12779	2.8
166.08553	1.6
169.10085	1.9
171.11694	2.7
172.07555	2.4
173.09615	5.3
173.13254	8.5
175.14841	5.9
177.11473	2.2
177.16434	7.2
179.14278	3.2
183.11711	1.9
185.13286	1.3
186.09201	1.2
187.11209	3.5
187.14816	3.1
188.11961	5.0
189.12738	2.3
189.16396	3.9
191.14334	1.4
191.18069	1.4
193.15759	1.7
201.16394	3.2
203.18004	1.6
205.15857	2.5
215.18002	5.2
216.13858	1.6
218.11781	2.3
221.15440	1.3
225.16473	1.3
229.15897	2.0
231.13786	15.9
231.21080	2.1
233.19046	1.6
246.16170	2.2
247.16982	5.4
253.15987	1.5
257.19073	1.5
260.12808	2.0
261.25790	1.6
271.10614	1.4
271.14319	2.8
271.16946	3.3
271.24200	18.8
272.12796	10.6
289.05978	2.8
289.11975	3.9
289.18100	46.8
289.21573	5.0
289.25232	100.0
290.13882	58.9
290.16693	1.5
290.26657	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1799
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
50.71087	0.8
53.03936	2.2
55.01870	6.3
55.05513	40.3
57.03446	6.8
57.07061	1.8
59.05004	8.5
67.05505	21.8
69.03428	2.0
69.07061	8.2
69.68896	2.0
69.69260	5.4
70.06594	1.2
71.04959	1.5
73.06549	1.3
79.05495	25.2
81.07057	20.2
83.04971	3.4
83.08615	16.1
84.08141	1.3
84.20441	0.9
85.02866	1.2
85.06550	9.3
88.07603	2.3
91.05474	13.1
93.07043	14.0
95.04955	1.4
95.08614	7.5
97.06543	1.3
97.10168	19.5
98.21423	1.3
98.61887	0.9
99.08056	2.9
103.05448	1.6
105.07040	8.7
106.08647	2.9
107.04964	1.2
107.08585	19.6
109.06518	3.0
109.10172	5.0
111.08056	1.7
111.85006	0.9
115.05451	12.1
117.07020	62.0
119.08587	15.8
121.06488	2.1
121.10121	2.5
123.08064	1.2
125.09626	14.1
127.03910	3.9
128.06224	2.9
129.06998	7.7
131.08575	11.1
133.06497	1.9
133.10127	4.3
135.08049	6.9
139.11191	0.9
141.06992	2.5
142.07727	2.8
143.08556	13.7
145.06487	65.7
145.10156	6.9
147.08043	2.4
147.11673	1.7
148.71542	0.9
151.07506	1.4
151.11208	2.4
153.09085	2.9
155.08557	5.1
156.09294	1.5
157.10135	14.1
159.08067	3.7
159.11664	3.5
161.09622	1.9
168.09341	1.7
169.10114	5.3
171.10283	1.0
171.11656	2.1
173.09654	2.9
173.11922	1.1
173.13205	4.5
181.10126	1.4
183.11708	5.6
185.09720	1.2
185.13292	1.2
187.14818	2.1
189.11218	7.9
189.16475	1.0
193.10045	1.4
197.09676	1.1
197.13258	3.2
199.14861	1.4
211.14767	0.9
215.14288	5.6
217.15945	1.4
225.16397	8.6
229.15807	1.4
233.15327	1.3
235.14763	3.5
239.17928	2.7
243.17390	5.9
253.15933	9.1
257.19022	1.0
271.16928	100.0
289.18066	11.4
289.21576	8.7
289.25287	2.2
289.29199	2.8
297.57770	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42762	1.6
53.03947	2.4
55.01877	3.6
55.05512	15.5
55.97701	1.3
57.03445	3.6
57.07072	5.5
59.05007	4.8
67.05505	19.6
69.03436	4.3
69.07069	21.9
70.06574	2.9
70.39454	1.2
71.05012	3.0
71.08628	1.6
71.52074	2.5
79.05499	13.3
80.16769	1.5
81.03434	1.7
81.07056	39.6
82.06665	1.4
83.04972	8.4
83.08619	13.0
84.08159	6.0
85.02946	1.9
85.06538	9.1
91.05474	18.4
93.07043	28.1
95.04992	4.9
95.07990	2.1
95.08611	41.0
97.02897	2.1
97.06544	3.6
97.10195	3.0
99.04453	2.0
99.08080	2.4
103.05453	2.1
105.07028	36.1
105.07690	2.3
107.04995	3.6
107.08589	24.1
109.06509	8.0
109.10154	22.7
109.10833	1.7
111.04443	1.7
111.08139	2.3
111.11743	1.9
115.05437	2.6
117.07027	9.3
119.08588	29.4
120.08144	3.6
121.03881	1.4
121.06504	11.7
121.10147	27.8
123.08115	6.1
123.11698	14.9
125.09669	4.1
127.03964	5.8
128.06284	3.6
129.07018	11.1
130.06598	1.8
130.07758	2.1
131.08562	17.6
133.06519	2.5
133.10156	14.0
135.08054	14.1
135.11697	6.9
137.06056	1.4
137.09648	3.1
137.13306	4.1
139.03889	2.0
141.06966	7.9
142.07805	3.4
143.08571	17.1
144.05678	1.6
144.09352	2.0
145.06531	4.5
145.10115	36.1
145.25731	1.4
146.07288	1.9
147.04424	1.6
147.05498	1.7
147.08070	5.7
147.11697	17.1
149.06055	1.8
149.08591	1.5
149.09583	7.5
149.13313	5.8
150.09175	1.3
150.75435	1.6
151.11230	2.5
153.07053	5.4
154.07817	5.0
155.08554	44.9
156.09410	5.9
157.10098	9.0
158.06032	1.6
158.56175	1.4
159.08052	14.8
159.11690	12.9
161.09673	4.5
161.13313	6.5
163.07605	3.3
163.11246	5.1
163.14899	4.2
165.06941	1.4
165.12849	2.4
167.08566	8.6
168.09308	7.0
169.10132	59.6
170.10947	5.0
171.11688	13.6
172.12503	1.8
173.08241	1.7
173.09631	25.4
173.13278	8.0
175.14877	3.0
177.16479	2.8
181.10133	13.7
182.10939	9.7
183.11705	18.2
185.09718	2.1
185.13344	5.6
187.09697	1.6
187.11287	5.1
187.14908	5.6
188.12012	1.9
189.11153	1.8
189.12845	3.4
189.16385	1.7
196.12468	19.2
197.13239	1.4
199.11255	1.8
201.16394	15.1
203.12440	1.5
203.18018	2.0
205.12398	1.7
211.14822	100.0
212.15176	1.9
213.11057	2.3
215.18005	2.2
229.15878	46.7
231.12122	3.1
231.13988	8.0
233.11903	2.0
239.18172	1.5
247.16936	36.7
254.34778	1.9
259.11621	6.9
271.11075	2.9
271.16986	7.4
271.24121	8.6
272.12918	4.0
289.06003	2.7
289.12714	47.3
289.18152	48.9
289.21716	12.5
289.25403	32.2
290.13831	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	19.0
59.49529	4.6
61.02897	6.0
65.87878	4.6
69.85793	26.1
70.06577	17.8
72.08145	11.5
84.08141	15.2
84.96025	10.1
86.09671	6.0
87.29845	4.7
97.02905	5.5
98.97600	74.8
107.04938	6.2
110.97588	41.6
112.08823	5.5
112.99140	7.9
116.98609	14.4
127.00722	9.5
128.98671	25.3
129.10165	8.4
145.01740	20.5
158.99593	8.3
161.01137	5.8
163.02715	7.9
170.99641	10.0
201.00668	6.9
219.01797	72.8
229.03769	6.8
237.02876	69.2
289.06784	100.0
289.11572	7.3
289.20575	7.6
307.07028	23.3
308.03732	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	289.1073
Annotation	Conferol A
Peak:m/z	Relative Intensity
53.08512	0.2
55.01868	0.6
55.05522	1.5
57.03429	0.4
57.07071	0.5
59.04995	0.3
65.03938	4.0
67.05508	2.4
68.99783	0.2
69.03419	0.8
69.07073	4.4
69.93690	0.8
70.06584	0.6
71.04975	0.4
71.08632	0.2
79.05493	1.8
81.03423	0.4
81.06589	0.4
81.07059	7.4
83.04977	0.6
83.08628	1.1
84.08157	0.7
85.02905	0.6
85.06524	0.6
91.05486	1.1
93.02888	0.3
93.03412	2.8
93.07053	3.5
95.04966	0.8
95.08611	5.0
97.02877	0.2
97.06519	0.7
97.10162	0.4
98.09693	1.9
99.04472	0.5
99.08054	0.4
99.09463	0.2
99.10018	1.1
103.05479	0.4
105.07037	3.3
107.08604	3.3
108.04453	0.3
109.02869	0.4
109.06533	0.8
109.10179	3.2
111.04448	24.1
111.08072	0.4
111.11716	0.6
113.09631	0.2
117.07019	0.7
119.08579	2.2
121.02885	0.3
121.03995	1.5
121.06533	0.3
121.10141	2.4
123.08075	0.2
123.11712	2.8
125.09623	0.3
127.03919	0.8
129.07033	0.4
131.04951	0.5
131.08578	0.8
132.04451	0.3
133.06473	1.0
133.10164	1.7
134.06055	0.4
135.08058	0.4
135.11688	2.3
137.02336	0.6
137.13278	1.0
139.03909	100.0
139.11157	0.5
140.04266	0.3
140.14392	0.4
141.14656	0.3
142.21590	0.2
143.08545	0.3
145.10130	0.9
147.08008	0.6
147.11696	1.4
149.13269	1.2
151.07544	0.8
151.11192	0.3
155.08434	0.2
158.06010	0.7
159.08060	0.3
159.11681	1.3
161.05989	0.8
161.13232	1.0
163.11194	0.2
163.14813	0.7
165.09129	0.6
173.05945	0.4
173.13293	0.9
175.14836	0.7
177.16451	0.5
187.14845	0.6
189.16455	0.7
200.10760	0.7
201.16315	0.4
215.17926	0.6
236.72429	0.2
243.14497	0.2
247.16939	0.3
271.13583	0.7
271.17010	0.2
271.24265	1.5
289.06186	0.4
289.11835	0.7
289.15143	0.8
289.17697	0.8
289.20035	1.8
289.25229	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	288.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86636	0.2
55.05507	0.9
58.06596	0.5
63.83121	0.3
67.05508	4.3
69.07056	0.5
70.06594	7.0
70.09751	1.2
79.05511	0.3
81.07063	1.1
84.08143	2.8
96.08133	0.6
97.08897	0.3
98.09695	100.0
98.21453	0.4
98.87580	0.3
103.05464	5.4
107.08620	0.3
109.10158	1.3
111.10458	1.2
112.11238	1.2
131.03900	0.5
131.04932	17.3
140.14343	36.7
149.05943	0.4
158.15405	2.8
248.26180	0.3
253.38324	0.3
254.27634	0.3
268.17850	0.3
288.05817	3.4
288.19574	77.0
289.15421	0.3
289.19717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.3
58.06594	1.1
61.27355	0.9
67.05514	6.6
69.07062	2.5
70.06603	7.2
71.04987	3.4
72.08150	1.1
79.05488	1.3
81.07068	6.7
84.07668	1.1
84.08147	3.7
93.07056	3.5
94.19854	1.0
95.04951	2.2
95.08596	4.2
98.09698	100.0
103.05468	4.2
105.07007	3.6
107.08582	5.4
108.08875	1.1
109.06549	1.3
109.10180	5.5
110.07205	1.4
111.08070	1.5
119.08598	2.1
121.10127	2.7
123.11699	1.2
125.09637	2.5
131.04935	14.2
133.10095	1.5
135.11659	3.0
140.14345	35.0
145.10089	3.0
147.11681	5.6
153.12778	3.1
158.15367	1.3
159.11644	1.6
189.16359	1.8
217.15884	2.4
228.96648	1.2
235.16916	5.2
245.86862	1.1
253.17982	4.4
270.23068	2.3
276.57272	1.1
288.05795	10.3
288.19577	78.7
288.23807	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	289.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10683	6.5
70.54099	15.9
98.21540	8.7
102.11715	7.5
112.89625	32.0
114.89359	44.0
119.01938	12.7
121.06560	6.8
139.91483	12.8
143.01892	8.3
152.66661	6.5
164.82033	6.5
179.07732	7.0
243.61696	7.3
283.20129	8.0
289.06778	100.0
289.09659	9.4
289.13928	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	288.192
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
51.91079	0.3
55.05512	10.5
56.05032	1.8
57.05822	1.0
60.04521	0.8
60.05652	1.4
67.05528	0.4
69.03432	0.4
69.07086	0.5
70.06596	10.1
70.06961	0.7
70.51179	0.3
71.51725	0.4
72.08159	100.0
72.52560	0.3
73.08495	0.6
74.06076	0.4
84.04506	0.8
84.08149	11.1
85.02898	0.4
85.08508	0.6
86.09711	42.9
87.10027	0.5
88.03986	0.4
88.25481	0.4
91.05478	0.5
93.07061	0.6
93.48601	0.3
98.06075	0.4
98.09760	0.4
104.05370	0.4
107.04953	0.4
109.02876	0.4
110.07172	0.8
112.08753	1.3
116.07102	0.7
118.08676	2.4
120.08125	1.2
121.06547	1.7
124.07600	0.8
129.10248	17.8
130.06532	0.4
132.10210	14.1
133.06363	0.3
135.09218	0.5
143.11804	21.1
144.10251	1.2
151.07501	0.3
157.09741	14.4
157.13281	0.7
158.09340	0.6
162.23050	0.3
168.10226	0.6
170.06029	0.4
171.11301	5.3
171.15015	1.1
174.51422	0.3
175.11929	2.3
183.15071	0.5
189.12352	15.9
193.67242	0.3
208.91377	0.3
228.17090	1.4
236.37927	0.3
243.17088	1.4
251.17711	0.4
271.07251	1.2
271.17783	1.1
288.05832	5.5
288.12216	0.4
288.15652	0.6
288.20523	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	288.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22568	0.4
53.03958	0.7
55.05518	1.3
57.03436	0.4
60.05636	0.6
62.55133	0.4
67.05507	4.3
69.03456	0.7
69.07078	2.5
70.06593	7.8
70.84454	1.3
71.04988	0.4
72.08166	0.9
72.93795	0.9
77.03910	0.5
79.05515	1.3
81.07071	3.5
82.07362	0.8
83.08612	0.5
84.08157	3.4
85.02920	0.9
86.09692	1.4
90.94858	1.0
91.05491	1.4
93.07059	1.2
95.04968	0.9
95.08634	2.4
96.08165	0.6
96.08917	0.7
97.06535	0.5
98.09702	100.0
103.05477	32.5
104.62929	0.5
105.07037	2.1
106.07363	0.8
107.08608	1.4
108.08882	0.5
109.02853	0.6
109.10138	3.1
112.08758	0.4
112.11241	1.0
117.07013	0.5
119.08608	1.7
121.06493	1.0
121.10153	0.9
122.10485	0.5
123.04447	0.5
123.11729	0.8
127.03989	0.6
131.04939	71.4
132.05302	0.4
132.95856	3.0
133.10025	0.7
135.08058	0.7
135.11716	0.6
136.07584	0.5
136.08826	1.2
140.14354	47.3
145.10129	1.0
146.10486	0.5
147.04396	1.3
147.11697	1.0
148.12096	0.6
149.13257	0.6
150.96898	0.6
153.01840	1.7
154.02190	0.8
157.10197	0.5
158.15421	37.3
159.11661	0.8
160.12086	0.9
162.13617	0.6
174.13599	0.8
174.96890	0.6
185.13091	0.5
188.15118	1.0
192.09966	0.5
193.12253	0.5
198.96854	3.7
200.15228	0.7
204.97943	1.1
242.15259	0.5
246.99022	1.4
270.22949	2.3
288.05872	16.8
288.19601	95.6
288.24399	4.7
289.07095	0.9
290.17374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05471	0.8
56.04994	0.9
60.04523	1.4
60.05653	1.6
67.05467	0.6
69.07076	3.0
70.02935	0.5
70.06598	10.6
72.08165	5.2
73.08464	0.3
73.85247	0.3
74.02410	0.6
74.02807	0.3
74.06026	1.2
76.03973	0.3
79.05467	0.4
84.04509	2.0
84.08151	11.4
85.02877	0.3
85.08448	0.7
86.09714	28.2
87.05613	1.6
87.10045	0.5
88.03948	1.3
91.05470	0.3
94.02883	0.9
95.06039	0.3
95.69998	0.3
96.04453	0.4
97.07593	0.4
98.06015	0.6
98.09663	0.4
101.10774	0.3
102.05494	0.8
103.05476	0.3
105.03359	0.6
106.04978	0.4
107.04899	0.4
110.05972	0.4
110.07123	1.3
112.08743	1.4
115.08681	0.4
116.07063	1.2
118.08654	1.4
119.04915	0.4
120.06583	0.3
120.08102	2.4
121.02805	0.5
121.08400	0.3
124.07624	2.2
129.09387	0.5
129.10248	6.0
130.04936	0.5
130.06502	1.2
130.08684	0.3
130.09679	0.4
130.10583	0.4
132.08061	0.3
132.10193	0.5
133.06110	1.9
140.99843	0.3
143.11810	0.7
144.08090	0.4
153.10213	0.4
155.06255	0.3
156.07661	0.7
156.11302	0.3
157.07639	0.6
157.10796	0.3
158.05984	1.0
158.09303	0.7
159.09183	0.5
171.11322	2.1
173.12831	0.7
175.08698	0.4
175.10507	1.5
175.12053	3.1
177.04147	0.6
185.07115	11.6
186.07890	12.6
187.08719	1.5
187.14355	0.4
197.07077	0.6
199.05031	0.6
201.06815	0.3
202.07062	0.4
203.04597	0.5
213.06636	4.0
214.07387	51.5
215.08150	3.6
224.05679	0.4
225.06519	0.5
229.06044	1.1
230.39903	0.3
242.06886	31.9
243.07668	5.2
243.17308	0.3
251.59932	0.3
253.06136	1.0
260.19568	0.3
271.07150	100.0
272.07431	0.6
286.83051	0.3
288.05917	7.6
288.09814	5.4
288.12576	0.5
288.17380	0.5
288.20380	9.8
303.55704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	Retinol
Peak:m/z	Relative Intensity
51.02383	0.7
53.03945	2.1
55.05514	9.7
56.05026	0.8
56.96547	1.2
57.03421	1.8
57.07071	1.3
63.00018	0.8
65.03931	1.4
67.01877	0.7
67.05510	18.9
68.99776	2.0
69.03417	2.4
69.07074	13.8
69.96799	2.8
70.06589	2.2
71.04984	3.8
71.08622	0.8
72.08155	0.8
79.05074	1.0
79.05498	12.5
81.03420	1.0
81.07063	42.2
83.04993	0.9
83.08629	4.8
84.08139	3.0
85.02869	1.2
85.06542	3.8
86.09681	1.6
91.05479	13.5
93.07050	27.5
95.04962	2.5
95.08614	44.6
97.02895	1.3
97.06515	2.4
97.10165	2.7
98.97576	1.8
99.04469	0.9
99.08086	2.8
103.05466	1.5
105.07038	34.7
107.04966	1.6
107.08599	27.3
109.06515	1.5
109.10162	22.7
111.00820	1.3
111.08090	2.9
111.11707	1.6
113.09605	2.5
115.05469	0.7
117.07010	5.1
119.08592	32.2
121.02876	5.6
121.06513	2.0
121.10156	16.7
123.08099	1.3
123.11697	7.9
125.09624	4.6
127.11192	2.0
128.06230	1.4
129.06995	5.1
130.07782	1.3
131.08571	19.5
133.02870	1.0
133.10147	21.9
135.04396	0.9
135.08086	0.9
135.11702	13.2
137.02341	2.5
137.09613	2.4
137.13269	2.5
139.11174	2.2
141.06947	1.0
142.07813	1.8
143.08556	9.5
144.09338	1.9
145.10124	25.7
147.04427	1.3
147.11694	29.2
149.09663	3.1
149.13278	13.7
151.11156	2.2
153.01849	9.2
156.09323	1.9
157.10126	12.0
158.10899	2.3
159.11703	27.4
161.09564	0.7
161.13258	14.1
163.11183	1.9
163.14865	5.2
165.01840	2.6
165.12727	1.0
170.10870	1.4
171.11697	12.1
172.12471	1.1
173.13275	26.4
175.11247	0.9
175.14827	13.8
177.00459	0.6
177.06630	1.0
177.12723	1.7
177.16415	2.2
179.14325	1.2
183.02859	1.1
184.12448	1.2
185.13278	11.5
187.14838	13.8
189.16417	6.3
191.14322	5.7
193.15871	1.7
196.54736	1.0
199.14803	12.6
199.16591	0.9
200.04051	0.7
201.16388	13.1
203.14369	1.4
203.17957	2.8
205.15987	1.7
211.14801	1.2
213.05443	2.1
213.16397	17.9
215.17987	6.1
217.15898	1.2
219.17546	0.7
226.17213	0.9
227.17935	8.1
229.19505	19.5
231.06534	1.4
231.17451	4.9
241.04994	1.8
241.19479	4.3
243.21204	2.8
258.05212	0.9
259.24319	2.5
269.12833	0.9
269.19617	1.5
269.22647	70.6
287.05515	100.0
287.13705	1.9
287.23688	99.9
288.05850	1.9
288.24066	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
53.03940	2.0
55.01851	1.7
55.05514	9.8
57.07083	8.6
59.05006	3.6
62.06080	4.0
65.03941	2.1
67.05507	11.4
69.03413	3.6
69.07061	10.5
70.06586	2.2
71.04998	4.6
71.08613	3.4
79.05498	12.3
81.03431	1.9
81.07065	26.5
83.08606	7.0
84.08144	2.6
85.06536	6.6
86.09686	1.8
87.04471	3.3
91.05479	12.8
93.07047	23.4
95.04990	7.7
95.08612	31.2
95.50153	1.5
97.10192	3.3
99.08054	2.9
103.05463	3.0
105.07036	27.3
107.08598	27.3
109.06517	4.6
109.10158	19.0
111.08076	2.0
117.07024	9.3
119.08585	29.0
121.02893	4.2
121.06525	6.2
121.10135	24.8
122.06844	2.9
123.08072	3.6
123.11680	8.1
125.09605	2.6
128.06223	1.9
129.07024	5.0
131.08563	24.9
133.10136	20.6
135.08060	3.0
135.11728	9.8
137.02351	2.2
137.05959	2.1
137.09630	2.6
142.07761	4.4
143.08574	14.4
144.09282	1.5
145.10127	26.4
147.08098	3.9
147.11688	16.8
149.09583	5.1
149.13307	8.2
151.11099	2.4
153.01833	7.2
156.09377	4.2
157.10159	16.8
158.10962	1.6
159.11702	27.3
161.09602	4.4
161.13278	15.4
163.11108	1.8
163.14862	2.3
165.01839	2.7
169.10127	3.2
170.10878	4.5
171.11731	15.1
172.08948	1.9
173.13264	28.8
175.11168	3.4
175.14809	4.5
177.06706	3.6
177.12758	3.2
179.55423	1.6
185.13258	12.3
187.11319	4.0
187.14777	11.8
189.12720	3.3
189.16428	4.8
191.14214	2.1
195.11650	3.1
197.13312	2.7
199.11249	3.2
199.14864	12.7
201.16403	7.2
203.14308	2.6
203.18005	2.4
211.14810	4.9
213.05380	1.9
213.12781	6.7
213.16368	14.1
213.23997	3.2
217.15868	4.6
227.17879	7.8
227.25702	2.8
229.19531	52.0
230.24823	2.9
231.17485	3.7
231.25125	15.3
241.19536	7.7
243.21085	7.4
269.19061	14.4
269.22659	50.2
287.05521	100.0
287.07913	3.6
287.13837	2.7
287.20102	26.7
287.23706	66.5
287.28000	4.0
287.31351	63.4
288.05951	2.5
288.29041	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	287.2371
Annotation	Dehydroabietinol
Peak:m/z	Relative Intensity
51.25764	0.5
52.41513	0.4
53.03939	0.7
55.01854	0.5
55.05509	3.5
57.07077	0.7
59.05009	0.4
63.30840	0.5
65.03914	0.5
65.81599	0.5
67.05505	10.2
69.03447	0.5
69.06789	0.4
69.07070	4.5
70.06581	0.6
70.12476	1.9
71.05003	0.6
77.03921	0.6
79.05077	0.6
79.05494	6.9
81.07057	23.0
83.08596	1.9
84.08110	1.0
85.06536	1.0
86.09692	0.5
91.05481	7.2
93.06489	1.0
93.07044	14.7
95.04942	1.4
95.08606	21.5
97.06528	1.3
97.10165	1.0
98.20781	0.7
99.08076	1.0
103.05454	0.6
105.07035	21.0
107.07888	0.9
107.08592	14.5
107.96010	0.5
109.06546	1.2
109.10166	12.4
111.08035	0.8
111.11673	0.6
117.07012	3.9
119.08587	15.1
121.02859	0.9
121.06506	0.7
121.10145	12.4
123.08086	1.2
123.11730	3.2
125.09626	1.4
128.06189	0.6
129.07027	2.8
131.07605	1.0
131.08571	16.0
133.10136	14.5
135.11696	10.8
137.09592	1.5
137.13176	0.7
139.11157	1.1
141.07011	0.6
142.07768	1.3
143.08557	7.4
144.09296	1.2
145.10127	12.9
147.07976	0.5
147.11690	20.5
149.09622	0.8
149.13272	8.1
151.11195	1.0
153.01825	1.8
155.08649	0.8
156.09366	1.3
157.10139	6.5
158.10852	1.0
159.11693	16.2
161.09602	0.6
161.13258	9.0
163.11226	0.8
163.14793	2.0
165.12709	0.6
169.10101	0.9
170.10921	0.6
171.11684	9.6
172.12344	0.5
173.11761	1.0
173.13268	17.6
175.14833	5.2
177.12770	1.1
183.11665	0.7
185.13261	9.8
187.14809	8.2
189.12805	0.6
189.16446	2.4
191.14326	5.7
193.15866	1.0
195.11697	0.8
199.14835	9.1
201.16396	5.5
203.14278	1.0
203.17902	0.8
211.14828	0.5
213.05458	0.9
213.12737	0.9
213.16373	10.3
215.17960	1.0
225.16359	0.7
226.17268	0.5
227.17964	8.6
229.19524	28.1
231.17427	4.7
241.19547	5.5
259.24307	0.7
269.19177	2.0
269.22641	35.8
287.05508	22.1
287.20224	7.0
287.23672	100.0
288.24014	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2007
Annotation	1-Methylestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
50.38198	1.0
50.51961	1.1
53.03936	2.1
55.05506	6.3
56.96576	1.6
57.03417	1.6
57.07065	4.8
59.04985	2.6
62.91358	1.0
67.05232	1.2
67.05514	12.5
68.99773	1.2
69.03443	1.7
69.07072	8.6
69.24377	6.8
69.24805	3.7
70.06569	2.1
71.05001	1.2
72.16502	1.4
79.05494	10.6
81.07059	15.6
83.04976	2.6
83.08619	3.0
84.08142	2.8
85.06540	4.6
86.09717	1.9
91.05473	12.4
93.07037	14.5
95.04969	18.3
95.08614	15.2
97.00534	4.6
97.06498	6.5
99.08121	1.6
104.93657	1.3
105.03387	1.5
105.07028	20.9
107.04984	2.0
107.08586	22.7
109.06535	6.4
109.10169	9.1
111.08065	2.4
116.06254	1.5
117.07010	8.3
119.08579	23.0
121.02861	4.3
121.06484	2.8
121.10137	20.0
123.08067	5.0
123.11684	3.0
123.42999	1.1
125.09629	2.2
128.06215	3.1
129.06993	7.3
129.10234	1.3
130.07735	1.3
131.08592	19.0
133.02829	1.4
133.06534	2.3
133.10136	17.7
134.10945	1.8
135.08054	5.0
135.11710	4.4
137.02467	1.6
137.09610	1.5
141.07010	3.4
141.63957	1.2
142.07762	8.7
143.08546	15.7
144.09329	4.3
145.06525	1.4
145.10141	20.2
146.10884	2.1
147.08035	4.7
147.11691	9.0
149.09619	4.1
149.13225	2.1
153.01875	6.1
155.08545	5.4
156.09352	8.4
157.10121	21.6
158.07220	1.1
158.10886	6.3
159.11702	17.6
161.09569	6.3
161.13257	5.6
163.11176	1.8
165.01880	1.4
165.06961	2.6
169.10123	7.7
170.10944	7.6
171.11679	18.5
172.08899	1.3
172.12364	2.4
172.96265	1.3
173.09619	3.2
173.13261	27.1
175.11160	4.9
175.14815	2.9
177.06747	8.2
177.12779	2.6
180.09317	2.2
181.10104	3.4
183.02841	1.7
183.11670	6.0
184.12460	2.4
185.09712	2.1
185.13274	18.4
186.14001	3.7
187.11209	6.2
187.14813	10.9
189.12688	8.8
191.14317	3.2
194.10857	1.7
195.11734	8.2
196.12379	2.7
197.13226	2.7
198.10411	2.6
199.11192	4.0
199.14850	5.1
201.12695	4.3
201.16438	1.5
203.14340	8.6
207.11729	1.7
209.13274	4.3
211.14815	4.9
213.05444	1.7
213.12733	16.1
213.16162	2.3
223.14801	1.6
225.16370	1.6
226.13409	1.2
227.14301	4.8
227.17847	1.5
229.15878	5.6
231.13783	8.8
233.09569	1.6
241.19551	8.3
251.18030	3.7
259.20654	2.1
269.18985	47.3
287.05502	78.5
287.07974	3.4
287.20065	100.0
287.23523	3.6
288.05783	1.6
288.15948	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	287.2007
Annotation	6-Dehydrotestosterone
Peak:m/z	Relative Intensity
53.03936	2.5
55.01892	0.9
55.05518	7.0
56.18970	1.0
57.07067	4.0
59.04988	1.2
65.03946	1.5
67.05511	14.7
68.99775	2.3
69.03434	2.5
69.07072	10.8
70.06597	3.0
70.90208	1.8
71.04983	3.1
72.36575	1.0
79.05072	1.1
79.05499	13.9
81.07066	27.0
83.04975	3.0
83.08618	3.4
84.08131	3.7
85.02937	0.9
85.06532	3.1
86.09701	1.9
90.73025	0.9
91.05484	15.8
93.07049	25.6
95.04984	12.1
95.08614	33.1
97.06537	6.1
97.10157	1.2
99.08071	2.6
103.05463	2.2
105.03413	0.8
105.04484	1.1
105.07037	28.0
107.08604	26.6
109.06508	3.9
109.09477	1.3
109.10168	16.4
109.48922	0.9
111.00824	1.1
111.04471	1.6
111.08085	2.7
115.05453	1.0
117.07035	6.2
119.08591	25.1
121.02859	5.9
121.05669	1.8
121.06509	26.7
121.09332	1.5
121.10149	21.1
123.08080	2.9
123.11720	5.7
125.09609	2.5
128.06248	2.7
129.07008	5.9
130.07803	1.9
131.08571	21.9
133.02846	1.1
133.10130	18.5
135.08049	3.9
135.11691	10.7
137.02344	1.4
137.05896	1.0
137.09633	3.5
137.13310	1.4
139.03931	2.6
139.11224	1.6
141.06973	3.2
142.07780	4.1
143.08566	15.2
144.09329	2.6
145.10126	24.7
147.08047	3.7
147.11696	21.6
149.05989	3.4
149.09634	3.8
149.13290	6.6
151.11182	2.3
153.01855	8.9
155.08542	4.1
156.09361	5.1
157.06483	1.5
157.10138	15.9
158.10872	4.2
159.08090	2.1
159.10466	1.8
159.11708	24.9
160.12408	1.4
161.05959	1.3
161.09647	3.4
161.13257	9.2
163.11166	1.4
163.14845	2.3
165.01834	2.8
165.07016	1.4
165.12695	1.3
166.07751	1.0
167.08537	1.0
168.09329	1.3
169.10129	4.7
170.10971	2.8
171.11693	19.1
171.13133	1.3
172.12463	3.1
173.09715	2.0
173.13281	25.7
174.14136	1.0
175.01610	5.5
175.11253	2.1
175.14862	5.5
177.06802	3.4
177.12782	3.0
179.14348	1.5
180.09348	1.7
181.10126	1.9
183.11716	2.6
184.12520	1.3
185.13266	15.5
186.14047	2.5
187.11183	3.0
187.14857	11.6
189.12755	3.4
189.16426	3.0
191.14322	7.6
195.11728	4.1
196.12483	1.3
197.13338	1.6
198.10385	1.0
199.11258	2.8
199.14816	12.3
201.16423	5.6
202.00914	0.9
203.14331	4.3
203.17993	1.8
205.15773	1.0
209.13199	2.0
211.14854	4.6
213.05466	2.3
213.12769	11.0
213.16367	8.5
215.14380	1.0
215.18059	1.5
217.15906	0.9
225.16406	1.5
226.16905	1.0
227.14287	3.5
227.17944	7.7
229.15884	3.9
229.19518	19.5
231.07957	2.2
231.13844	6.7
231.17418	3.8
241.15768	1.5
241.19562	7.8
250.36272	1.2
251.18074	1.9
258.05270	1.5
259.24243	1.2
269.19037	24.1
269.22662	30.1
269.25549	1.4
287.05518	100.0
287.20090	53.1
287.23715	74.3
288.05759	1.4
303.43152	1.0
306.76535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.1
53.18050	0.1
53.74068	0.1
55.01867	0.2
55.05500	0.1
56.01288	0.1
56.81873	0.1
65.03950	0.2
67.01862	0.3
68.99786	1.8
69.03419	0.2
69.34801	0.8
70.06571	0.1
70.36431	0.1
71.04988	0.2
79.05505	0.5
81.03404	0.3
81.07048	0.1
84.08118	0.1
85.02886	0.2
91.05473	0.2
93.07032	0.3
95.04980	0.2
97.02851	0.2
97.06525	0.2
103.05439	0.2
105.03407	0.8
105.07018	0.3
106.08972	0.1
107.04939	1.1
107.08572	0.2
109.02872	0.5
109.10107	0.1
111.00803	1.3
111.04446	0.2
115.05421	0.1
117.07026	0.1
119.04930	0.1
119.08549	0.1
121.02867	7.9
121.03917	0.5
121.06451	0.2
127.03896	0.6
128.06192	0.2
129.07025	0.3
133.02855	1.0
133.06525	0.1
135.04413	0.3
135.08046	0.1
137.02330	1.8
141.07018	0.2
145.06493	0.5
147.04388	1.3
153.01826	9.2
157.06500	1.0
161.02412	0.1
161.05995	0.4
165.01836	3.6
171.03067	0.1
171.04405	0.6
175.03822	0.1
179.03398	0.1
183.02895	1.4
185.05968	1.2
189.05437	0.3
195.13725	0.1
197.05951	0.3
199.03888	0.1
200.39816	0.1
201.05475	0.3
203.03415	0.2
203.07062	0.3
212.04649	0.1
213.05469	2.5
216.04047	0.1
217.05037	0.2
219.06546	0.1
229.05026	0.3
231.06476	1.1
241.04950	1.6
243.06493	0.2
245.04170	0.1
258.05246	2.2
259.06052	0.7
269.04465	0.3
287.05487	100.0
288.05829	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Kaempferol
Peak:m/z	Relative Intensity
55.01862	0.2
55.05501	0.4
56.05034	0.2
58.06588	0.2
62.91972	0.1
64.76721	0.1
65.03930	0.3
67.01876	0.2
67.05505	0.2
68.05027	0.2
68.99789	1.7
69.03435	0.3
69.07064	0.3
69.29100	0.2
69.29515	0.9
70.06602	1.4
71.04993	0.2
72.08152	1.1
72.94803	0.1
74.06073	0.2
79.05497	0.9
81.03410	0.3
81.07060	0.2
84.04495	0.5
84.08149	2.1
85.02905	0.3
85.06534	0.2
86.09713	2.5
87.10002	0.1
88.03994	0.3
88.59763	0.1
90.05527	0.1
91.05470	0.3
93.07069	0.2
95.04993	0.3
95.06097	0.9
102.05529	0.2
103.05466	0.3
103.77992	0.1
105.03398	0.9
105.07023	0.8
107.04966	1.1
109.02905	0.7
110.07182	0.2
111.00818	1.5
111.04436	0.3
112.08736	1.4
114.09166	0.3
115.05450	0.1
117.07051	0.1
117.12474	0.1
119.04936	0.3
120.08089	0.3
121.02879	6.6
121.03866	0.3
121.06526	0.3
122.07152	1.2
127.03906	0.4
127.12363	0.1
128.06221	0.1
129.07004	0.4
129.10242	1.1
130.19379	0.1
131.04889	0.1
131.08524	0.1
132.10179	0.2
133.02867	1.1
134.06062	0.2
135.04396	0.4
135.08055	0.1
137.02354	1.8
140.14281	0.1
141.06982	0.3
145.06483	0.4
147.04430	1.3
150.20172	0.1
153.01836	9.3
157.06468	1.2
159.07983	0.1
161.05956	0.3
165.01852	3.5
169.06491	0.1
171.04401	0.6
175.03934	0.2
175.07492	0.2
176.10739	0.5
177.06744	0.3
177.09024	0.1
183.02901	1.7
183.17978	0.1
185.05942	1.0
186.07671	0.1
188.04869	0.1
189.05434	0.3
197.06030	0.2
197.12854	0.1
199.18098	0.1
203.07089	0.4
213.05476	2.8
216.04202	0.1
218.05830	0.1
229.04875	0.3
231.06522	1.2
241.04922	1.5
241.10481	0.1
243.06462	0.3
243.13422	0.2
244.50542	0.1
245.04312	0.2
258.05234	2.0
259.06039	0.6
259.14450	0.1
269.04410	0.2
269.12894	0.2
270.15915	0.2
286.04413	0.2
287.05505	100.0
288.05807	0.7
293.68396	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	287.0553
Annotation	Luteolin
Peak:m/z	Relative Intensity
67.01867	1.4
68.99454	0.1
68.99798	1.1
70.06629	0.1
70.52654	0.3
79.05470	0.3
81.03423	0.1
81.07081	0.1
89.03911	0.4
93.07041	0.2
105.07005	0.1
107.04938	0.2
111.00814	0.2
111.04404	0.1
115.05486	0.1
115.18368	0.1
117.03371	0.6
121.02905	0.1
121.10102	0.1
125.02361	0.1
129.01854	0.2
129.06970	0.1
131.04897	0.1
135.04425	4.0
137.02356	1.1
139.05408	0.2
139.22412	0.1
140.14365	0.1
147.04411	0.2
147.11670	0.1
153.01839	10.6
157.06474	0.2
161.02345	1.0
171.02882	0.6
171.04332	0.2
179.03468	0.5
185.06000	0.3
192.76816	0.1
199.03917	0.1
203.03358	0.2
213.05400	0.6
231.06630	0.1
241.04953	1.3
259.05981	0.1
269.04510	0.7
269.22552	0.1
287.05502	100.0
288.05777	0.6
288.19614	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	287.0552
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03949	0.2
55.01860	0.2
55.05503	0.1
61.00018	0.1
65.03935	0.3
67.01859	0.2
67.05491	0.4
68.99446	0.2
68.99791	1.8
69.03410	0.2
69.07072	0.5
70.52443	0.3
71.04981	0.2
78.77993	0.1
79.05074	0.1
79.05474	0.7
81.03414	0.2
81.07056	1.0
83.08611	0.1
84.08144	0.1
85.06544	0.2
91.05468	0.4
93.07049	0.7
95.04959	0.2
95.08603	0.7
103.05452	0.2
105.03389	0.7
105.07046	0.9
107.04955	1.0
107.08592	0.8
109.02875	0.9
109.10147	0.6
111.00809	1.3
111.04417	0.2
115.05457	0.2
117.07012	0.3
119.04961	0.2
119.08612	0.8
121.02874	6.5
121.03867	0.2
121.06464	0.1
121.10130	0.7
123.11696	0.2
125.09691	0.1
127.03885	0.3
128.06204	0.2
129.07005	0.4
131.04895	0.1
131.08554	0.4
133.02872	1.0
133.10126	0.4
134.45876	0.1
135.04388	0.3
135.08109	0.1
135.11696	0.3
137.02350	2.0
141.06990	0.3
142.69777	0.1
143.08539	0.2
145.06494	0.4
145.10123	0.6
147.04407	1.3
147.11684	0.4
149.13254	0.3
153.01839	9.3
157.06505	1.1
157.10081	0.2
159.11691	0.5
161.02312	0.1
161.05994	0.3
161.13243	0.2
165.01840	3.4
169.06438	0.1
171.02992	0.1
171.04413	0.5
171.11548	0.2
173.13264	0.4
175.14812	0.2
177.06732	0.1
183.02921	1.3
185.05972	1.1
185.13239	0.2
187.14792	0.4
189.05470	0.3
197.05980	0.2
199.14848	0.2
201.05542	0.2
201.16415	0.2
203.03377	0.2
203.07028	0.3
212.04697	0.1
213.05472	3.1
213.16403	0.3
216.04088	0.2
227.18059	0.1
229.04955	0.2
229.19505	0.2
231.06554	1.0
241.04979	1.3
243.06509	0.2
257.04419	0.1
258.05264	1.9
259.05997	0.7
259.14334	0.1
269.04501	0.3
269.20090	0.1
269.22586	0.8
286.04553	0.2
287.05499	100.0
287.23691	1.7
288.05850	0.6
299.19550	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.1
54.80339	0.1
55.01864	0.1
64.87067	0.1
65.03943	0.3
67.01859	0.3
68.03234	0.1
68.99444	0.2
68.99794	1.8
70.03867	0.4
74.45036	0.1
79.05514	0.4
81.03416	0.2
91.05454	0.1
95.04990	0.1
98.20875	0.1
103.05469	0.3
105.03402	0.8
105.07015	0.1
107.04961	1.1
109.02896	0.7
111.00819	1.5
111.04459	0.3
111.51141	0.1
115.05441	0.2
117.06998	0.1
119.04932	0.2
121.02876	5.9
121.03915	0.3
126.53680	0.1
127.03921	0.2
128.06241	0.1
129.06992	0.4
133.02832	0.7
135.04411	0.3
137.02351	1.8
141.06992	0.3
145.06491	0.5
147.04411	1.4
153.01836	8.6
157.06487	1.3
161.02335	0.1
161.06004	0.3
165.01843	3.3
166.02545	0.1
171.04405	0.7
175.03981	0.1
183.02898	1.5
183.04503	0.1
183.50037	0.1
184.05194	0.1
185.05974	0.9
189.05461	0.3
197.06039	0.3
199.03915	0.2
201.05527	0.1
203.03339	0.1
203.07117	0.3
212.04643	0.1
213.05481	3.0
216.04237	0.2
217.05006	0.1
229.04953	0.3
230.05681	0.1
231.06509	1.2
241.04970	1.3
243.06529	0.2
258.05267	2.3
259.05991	0.7
264.21802	0.1
269.04474	0.3
287.05508	100.0
288.05841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03940	0.1
55.01872	0.1
65.03932	0.3
67.01866	0.3
68.99789	1.9
69.03432	0.3
69.05907	0.0
71.00454	0.1
71.01364	0.1
77.03938	0.0
78.01084	0.0
79.05490	0.5
81.03419	0.2
83.01302	0.0
86.85271	0.0
91.05499	0.1
93.03403	0.0
94.04178	0.1
95.01331	0.1
95.04987	0.2
97.02897	0.1
103.05470	0.2
105.03378	0.8
105.04001	0.1
105.04498	0.1
105.07014	0.0
107.04954	1.1
109.02869	0.7
111.00807	1.5
111.04449	0.2
115.05463	0.2
117.07006	0.1
119.04940	0.2
121.02866	6.3
121.03890	0.2
121.06499	0.1
123.04482	0.1
124.01538	0.0
125.02405	0.1
126.03139	0.1
127.03905	0.2
128.06253	0.1
129.07018	0.4
131.04918	0.1
133.02847	1.0
133.06502	0.1
135.04401	0.3
135.08061	0.1
136.07573	0.1
137.02339	2.0
139.05487	0.1
141.06984	0.2
143.04901	0.1
145.02791	0.0
145.06503	0.5
147.04402	1.3
147.08107	0.1
149.02298	0.1
151.03876	0.1
153.01826	9.5
154.02196	0.0
155.06012	0.1
157.06479	1.2
157.07768	0.1
160.05109	0.0
161.02368	0.1
161.05989	0.3
163.03886	0.1
164.07059	0.1
165.01834	3.4
166.02515	0.1
167.05026	0.1
169.06535	0.1
171.04419	0.7
171.05486	0.0
173.05975	0.1
175.03900	0.2
175.07549	0.2
177.05486	0.1
181.01445	0.0
183.02887	1.5
183.04492	0.1
184.05267	0.1
185.05962	1.1
189.05548	0.2
194.02176	0.1
197.06009	0.3
199.03893	0.1
201.05524	0.1
202.06293	0.0
203.03374	0.1
203.07069	0.3
212.04578	0.1
213.05457	3.1
216.04176	0.1
217.04994	0.2
219.06505	0.0
224.71834	0.0
229.04951	0.3
230.05775	0.1
231.06525	1.2
240.04140	0.1
241.04945	1.5
242.05745	0.1
243.06552	0.2
245.04504	0.1
258.05252	2.2
259.06052	0.8
263.05569	0.1
269.04419	0.4
270.05222	0.1
272.24814	0.0
285.03937	0.1
286.04559	0.1
287.05487	100.0
288.05783	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.53779	0.1
53.03944	0.2
55.01873	0.1
55.05510	0.2
65.03946	0.3
67.01862	0.3
67.05513	0.3
68.99443	0.2
68.99794	1.7
69.03419	0.3
69.07069	0.2
70.06604	0.1
70.65926	0.2
74.55935	0.1
79.05509	0.8
81.03413	0.5
81.07063	0.5
83.08630	0.2
83.24327	0.1
84.08150	0.3
86.09699	0.4
87.26233	0.1
88.68707	0.1
91.05479	0.4
93.07048	0.4
95.04985	0.2
95.08631	0.5
97.02878	0.1
103.05470	0.3
105.03401	0.8
105.07027	0.6
107.04966	1.0
107.08606	0.5
107.52016	0.1
108.55268	0.1
109.02888	0.7
109.10187	0.3
111.00817	1.4
111.04453	0.3
115.05480	0.1
117.07005	0.2
119.04922	0.1
119.08632	0.5
119.09381	0.1
121.02884	6.0
121.03915	0.3
121.10159	0.3
123.11761	0.1
127.03939	0.4
128.06256	0.1
129.07001	0.4
129.78200	0.1
131.08577	0.3
133.02872	0.9
133.10143	0.3
135.04453	0.4
135.11691	0.2
137.02362	2.0
141.06989	0.4
143.08585	0.2
145.06506	0.4
145.10133	0.4
147.04419	1.2
147.11710	0.3
153.01848	9.0
157.06487	1.2
157.10123	0.3
159.11705	0.3
161.05998	0.4
161.13261	0.1
163.03865	0.1
165.01860	3.3
169.06595	0.2
171.04401	0.6
171.11638	0.2
173.05986	0.1
173.13264	0.3
175.03928	0.3
175.07501	0.2
183.02914	1.3
185.05994	1.1
185.13257	0.2
187.14822	0.2
189.05469	0.3
189.16344	0.2
197.06009	0.2
199.14825	0.3
201.16364	0.7
203.03377	0.1
203.07060	0.2
213.05486	2.7
213.16385	0.2
214.52725	0.1
216.04243	0.1
217.05002	0.1
219.06480	0.1
229.05009	0.4
229.19516	0.1
231.06532	1.2
241.04982	1.5
243.06526	0.2
258.05292	1.9
259.06073	0.7
263.05579	0.1
269.04480	0.2
269.22705	0.5
287.05527	100.0
287.23569	1.1
288.05817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
53.91741	0.1
55.01881	0.1
55.05499	0.3
56.05024	0.2
60.04497	0.1
65.03940	0.3
67.01855	0.3
67.05520	0.1
67.60075	0.1
68.99787	1.7
69.03419	0.2
69.07053	0.4
70.06593	1.0
70.69428	0.2
70.69777	0.2
71.04971	0.1
72.08158	0.8
74.06068	0.1
79.05489	0.5
81.03413	0.4
81.07033	0.2
83.04990	0.1
84.04498	0.4
84.08143	2.1
84.42299	0.1
85.02923	0.1
85.06528	0.1
85.08491	0.1
86.09705	2.9
89.92023	0.1
91.05479	0.3
93.07022	0.2
93.71255	0.1
95.04971	0.3
98.06053	0.2
103.05465	0.2
105.03409	0.9
105.07016	0.1
107.04953	1.0
108.05190	0.1
109.02905	0.7
110.07153	0.2
111.00810	1.4
111.04437	0.2
111.08049	0.1
112.08742	0.1
115.05447	0.1
116.07078	0.2
117.07019	0.3
118.06554	0.1
120.08115	0.3
121.02872	6.9
121.03864	0.2
121.06513	0.2
122.06033	0.1
123.04458	0.1
124.01614	0.1
127.03884	0.5
128.06299	0.1
129.07005	0.3
129.10231	1.1
130.04973	0.1
130.06525	0.3
132.10210	0.3
133.02872	1.0
135.04393	0.3
136.07588	0.1
137.02338	1.8
139.05383	0.1
141.06978	0.2
144.08081	0.4
145.06467	0.6
147.04411	1.3
151.03914	0.2
153.01831	8.8
155.06018	0.2
155.11749	0.1
157.06474	1.2
161.05965	0.4
163.03963	0.1
165.01852	3.1
169.06505	0.2
170.06013	0.1
171.02975	0.2
171.04305	0.6
175.04002	0.1
175.07507	0.1
183.02882	1.3
185.05983	1.0
189.05453	0.2
194.02197	0.2
197.06041	0.2
197.16380	0.1
201.05519	0.1
203.07069	0.3
211.11916	0.2
213.05469	2.6
214.68918	0.1
216.04321	0.1
217.04921	0.1
229.04948	0.3
231.06564	1.2
241.04909	1.6
241.13229	0.2
245.04462	0.2
257.04141	0.1
258.05255	1.8
259.06000	0.6
269.04440	0.3
269.12744	0.3
269.15561	0.1
286.04453	0.1
287.05490	100.0
288.05771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46900	0.5
54.91765	0.5
55.01867	0.9
55.05516	3.8
56.05027	2.1
56.96555	0.9
57.03438	0.5
60.04531	1.0
67.05485	1.4
68.99791	1.2
69.03442	1.0
69.07079	3.4
70.06594	12.4
71.05005	1.0
71.06932	0.9
71.51871	0.8
72.08162	19.9
73.08464	0.8
73.47371	0.5
74.06071	1.8
79.05482	1.2
81.07044	2.0
82.06577	0.8
84.04506	5.0
84.08150	28.6
85.02901	1.3
85.06539	0.8
85.08480	0.6
86.09711	36.6
87.05588	0.6
87.10039	1.7
88.03989	3.2
90.05540	2.4
91.05476	1.6
91.92072	0.6
93.07034	1.2
94.06541	0.8
95.01308	0.7
95.08569	0.6
98.06066	1.0
98.09680	1.2
98.97559	1.2
99.08144	0.6
101.10789	0.7
102.05534	0.8
103.05470	1.2
105.03391	0.8
105.07034	1.1
107.04951	1.5
109.02855	0.9
109.06535	0.7
110.07182	1.4
111.00800	1.1
111.04412	0.6
112.08740	4.1
112.78241	0.5
115.08694	1.6
116.07100	1.0
116.58334	0.6
119.04940	0.7
120.08112	2.8
121.02872	6.1
121.06496	1.7
122.07166	0.7
123.04419	0.7
127.08630	0.5
129.10254	18.5
130.05028	1.0
130.06485	0.8
130.08665	0.7
132.10185	4.3
133.02814	1.2
134.05978	0.6
135.04388	0.6
136.07571	1.9
137.02357	1.7
140.08189	0.8
143.11836	1.2
144.08066	1.6
145.06450	0.6
147.04381	1.7
148.03998	0.7
148.07513	0.8
152.07053	1.2
152.14343	0.7
153.01854	7.2
155.08185	0.8
157.06470	0.7
159.11324	1.5
161.05910	0.6
165.01868	2.5
170.06073	0.8
177.06810	1.0
180.06468	0.7
180.07922	0.7
183.02905	0.9
184.13367	0.8
185.05916	0.8
192.06506	3.0
195.09351	0.6
197.10391	1.1
197.16435	0.6
198.07700	0.8
213.05540	2.8
214.13069	0.6
220.06180	0.5
231.06334	0.8
241.05005	1.5
241.09836	0.7
242.18700	1.6
252.08725	0.8
258.05255	1.6
269.09180	0.7
269.12805	2.9
270.09827	2.6
270.18076	0.6
287.05508	100.0
287.09998	3.9
287.13989	3.3
294.11758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01913	0.2
53.03947	0.1
55.01868	0.2
55.05509	1.8
56.05050	0.2
56.96581	0.2
57.03444	0.4
57.07072	0.6
58.06582	0.1
59.04999	0.4
61.64964	0.1
65.03942	20.1
67.05507	3.4
69.03440	0.3
69.07066	2.2
69.16238	1.6
70.06590	0.3
71.05001	0.9
71.08630	0.8
73.06543	0.2
78.03457	0.6
79.05494	2.8
81.03419	0.6
81.07058	6.4
83.04977	0.4
83.08628	1.3
84.08149	0.3
85.02879	0.2
85.06551	3.2
86.09747	0.2
91.05496	2.1
92.05008	7.5
93.03414	0.3
93.05796	0.2
93.07043	3.1
95.04963	0.7
95.08614	4.7
97.06550	0.7
97.10178	0.6
98.20789	0.3
98.97599	0.9
99.08092	1.4
105.07028	2.6
107.08598	4.1
108.08123	10.6
109.06526	0.4
109.10162	3.9
110.06065	0.4
110.09673	0.2
110.97569	0.3
111.08083	0.4
111.11766	0.2
113.09636	0.6
116.98620	0.3
117.07006	0.4
119.08586	2.5
120.04470	9.2
120.08124	0.2
121.06521	0.5
121.10152	2.5
122.06042	0.1
123.08082	0.2
123.11700	3.2
125.09631	0.6
127.11197	0.6
129.07013	0.2
131.08546	1.1
133.10135	2.1
135.08046	0.3
135.11682	1.6
136.07578	1.6
137.09647	0.3
137.13272	0.4
138.05496	0.2
138.09137	0.7
139.11176	0.9
141.12749	0.7
143.07019	0.2
143.08536	0.6
145.10147	1.3
147.11691	1.4
148.03935	100.0
149.04282	0.5
149.09566	0.3
149.13274	1.0
151.11160	0.3
155.08594	0.2
157.10132	0.8
157.12209	0.3
159.08054	0.2
159.11688	1.2
161.09586	0.2
161.13284	0.9
163.14857	0.4
165.06932	0.2
165.12766	0.3
166.05005	28.2
167.05350	0.2
169.10136	0.5
169.12224	0.3
171.11699	0.6
173.13303	0.5
175.11151	0.5
175.14809	0.8
179.14334	0.2
180.24991	0.2
183.11690	0.4
185.13231	0.5
187.11296	0.3
187.14632	0.3
189.06490	0.2
189.16347	0.2
193.12215	0.4
197.13248	0.5
199.14804	0.4
201.16362	0.3
203.17982	1.9
205.19536	0.3
211.05424	0.2
211.14856	0.6
213.14153	0.2
213.16373	0.3
219.09550	0.3
221.19057	0.6
225.16434	0.4
227.17953	0.5
231.01686	0.2
231.21057	0.6
239.11900	0.2
241.19525	0.3
242.05794	1.1
249.02853	0.5
249.18440	0.7
249.22139	0.7
257.12860	14.1
257.22623	0.3
267.20917	0.9
267.23346	5.2
270.05219	0.6
275.13834	0.3
285.07526	4.2
285.12241	9.1
285.18747	0.3
285.21954	4.7
291.03922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01913	0.2
53.03947	0.1
55.01868	0.2
55.05509	1.8
56.05050	0.2
56.96581	0.2
57.03444	0.4
57.07072	0.6
58.06582	0.1
59.04999	0.4
61.64964	0.1
65.03942	20.1
67.05507	3.4
69.03440	0.3
69.07066	2.2
69.16238	1.6
70.06590	0.3
71.05001	0.9
71.08630	0.8
73.06543	0.2
78.03457	0.6
79.05494	2.8
81.03419	0.6
81.07058	6.4
83.04977	0.4
83.08628	1.3
84.08149	0.3
85.02879	0.2
85.06551	3.2
86.09747	0.2
91.05496	2.1
92.05008	7.5
93.03414	0.3
93.05796	0.2
93.07043	3.1
95.04963	0.7
95.08614	4.7
97.06550	0.7
97.10178	0.6
98.20789	0.3
98.97599	0.9
99.08092	1.4
105.07028	2.6
107.08598	4.1
108.08123	10.6
109.06526	0.4
109.10162	3.9
110.06065	0.4
110.09673	0.2
110.97569	0.3
111.08083	0.4
111.11766	0.2
113.09636	0.6
116.98620	0.3
117.07006	0.4
119.08586	2.5
120.04470	9.2
120.08124	0.2
121.06521	0.5
121.10152	2.5
122.06042	0.1
123.08082	0.2
123.11700	3.2
125.09631	0.6
127.11197	0.6
129.07013	0.2
131.08546	1.1
133.10135	2.1
135.08046	0.3
135.11682	1.6
136.07578	1.6
137.09647	0.3
137.13272	0.4
138.05496	0.2
138.09137	0.7
139.11176	0.9
141.12749	0.7
143.07019	0.2
143.08536	0.6
145.10147	1.3
147.11691	1.4
148.03935	100.0
149.04282	0.5
149.09566	0.3
149.13274	1.0
151.11160	0.3
155.08594	0.2
157.10132	0.8
157.12209	0.3
159.08054	0.2
159.11688	1.2
161.09586	0.2
161.13284	0.9
163.14857	0.4
165.06932	0.2
165.12766	0.3
166.05005	28.2
167.05350	0.2
169.10136	0.5
169.12224	0.3
171.11699	0.6
173.13303	0.5
175.11151	0.5
175.14809	0.8
179.14334	0.2
180.24991	0.2
183.11690	0.4
185.13231	0.5
187.11296	0.3
187.14632	0.3
189.06490	0.2
189.16347	0.2
193.12215	0.4
197.13248	0.5
199.14804	0.4
201.16362	0.3
203.17982	1.9
205.19536	0.3
211.05424	0.2
211.14856	0.6
213.14153	0.2
213.16373	0.3
219.09550	0.3
221.19057	0.6
225.16434	0.4
227.17953	0.5
231.01686	0.2
231.21057	0.6
239.11900	0.2
241.19525	0.3
242.05794	1.1
249.02853	0.5
249.18440	0.7
249.22139	0.7
257.12860	14.1
257.22623	0.3
267.20917	0.9
267.23346	5.2
270.05219	0.6
275.13834	0.3
285.07526	4.2
285.12241	9.1
285.18747	0.3
285.21954	4.7
291.03922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2217
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03953	0.9
55.05517	5.5
56.91195	0.8
56.96566	0.8
57.03426	1.3
57.07066	1.3
62.01931	0.7
64.25303	0.6
65.18455	0.6
66.37775	0.6
67.05510	10.1
69.03427	1.1
69.07076	5.6
70.06602	1.6
70.64030	1.4
70.64375	1.1
71.04996	1.7
77.03910	0.6
79.05501	8.6
81.03417	2.4
81.06597	1.2
81.07062	21.7
83.04967	1.0
83.08584	1.5
84.08156	1.5
85.06559	1.8
86.09676	0.9
91.05476	8.6
93.07052	16.8
93.07636	0.9
95.04971	2.8
95.08616	22.8
97.06548	2.2
97.10159	1.4
98.97556	1.1
105.07042	20.9
107.08606	15.1
109.06507	1.8
109.10162	10.8
111.08097	1.1
115.03867	0.6
115.05521	0.7
117.07012	3.8
118.39587	0.6
119.08593	17.3
121.06477	1.7
121.10154	11.6
123.08081	2.0
123.11731	4.3
125.09641	1.1
126.98598	0.6
128.04118	0.7
128.06178	1.0
129.07011	3.9
130.07701	0.7
131.08583	18.8
133.06491	0.7
133.10136	13.1
135.08041	1.7
135.11679	6.3
137.09602	3.0
138.36993	0.7
139.11166	1.0
141.07016	1.6
142.07799	2.3
143.08571	10.1
143.83580	0.6
144.09320	0.9
145.10138	31.4
147.08031	1.2
147.11696	13.9
149.09627	1.8
149.13264	3.2
151.11159	0.9
155.08559	4.4
156.09341	2.5
157.10159	10.4
159.11716	12.6
161.09567	1.1
161.13283	4.7
163.11166	2.6
163.14825	1.3
165.12790	1.6
168.09349	0.9
169.10139	8.1
170.10898	1.2
171.11691	11.7
173.13263	8.9
175.11226	2.8
175.14850	2.9
177.12793	2.6
181.10173	1.2
182.10921	1.5
183.11714	6.8
185.13269	7.9
187.14828	6.3
189.12738	3.1
189.16414	1.0
191.14346	3.7
193.12265	2.0
193.59126	0.7
195.11694	0.9
196.12477	1.3
197.13261	8.8
199.14854	8.5
201.12779	0.9
201.16365	2.9
203.14345	1.2
209.13307	1.4
211.14877	7.8
213.16409	1.9
215.14316	0.9
215.18060	1.5
225.16400	5.6
227.17969	15.7
229.14038	1.3
229.16119	3.5
239.18013	3.5
241.19524	1.5
242.05827	2.8
243.17494	1.2
243.21112	1.1
253.08527	0.9
257.04489	0.8
257.20187	0.6
257.22726	4.1
267.21088	27.1
270.05209	1.8
285.07642	10.8
285.22147	100.0
302.77966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
52.10939	2.0
55.05515	19.0
57.07061	3.4
59.05013	2.6
67.05508	19.8
69.03436	3.4
69.06686	2.4
69.07069	44.7
71.04975	9.2
71.08643	2.3
79.05510	14.3
79.05891	2.8
81.07060	36.1
83.04968	3.9
83.08604	9.6
91.05484	21.4
93.07044	31.7
95.05000	10.4
95.08617	38.7
97.06541	15.6
97.10168	8.8
99.08089	2.7
105.07035	67.8
107.08607	40.3
108.22974	1.9
109.06522	27.2
109.10173	27.5
111.08092	7.0
111.11710	2.7
117.07027	7.1
119.08587	84.9
121.06494	9.9
121.10137	30.2
123.08053	6.3
123.11726	19.1
128.06224	2.3
129.07048	2.4
131.08583	11.1
133.10136	50.6
135.08078	11.9
135.11690	17.3
137.09587	5.3
137.13252	4.5
142.07805	4.0
143.08560	8.0
145.10129	19.4
146.07251	10.4
147.08095	3.8
147.11697	23.0
149.09596	3.8
149.13284	6.3
155.08577	5.3
156.09369	4.2
157.10175	9.3
159.08031	2.6
159.11713	11.0
161.09631	100.0
161.13229	6.2
169.10170	5.1
170.10977	1.9
171.11713	4.4
173.09634	2.6
173.13248	8.0
175.11205	4.0
175.14825	60.6
177.16371	10.2
183.11690	5.8
185.13255	13.0
187.14827	3.4
189.16399	3.0
193.15916	13.9
196.12399	3.0
197.13310	11.2
199.14879	5.3
201.16379	3.1
203.18015	3.9
211.14790	12.6
215.17877	4.2
225.16411	3.2
242.05797	14.1
267.21167	10.0
270.05209	6.0
285.07617	33.7
285.22055	23.0
285.33392	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	285.2212
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
55.01880	1.6
55.05515	10.1
56.96561	1.2
57.03440	6.0
57.07067	2.2
63.00044	0.9
67.05512	11.6
69.03417	1.3
69.07072	8.7
70.06577	2.4
70.22596	1.7
70.22978	1.7
71.04969	2.7
73.00960	0.8
73.02932	1.0
74.14743	0.8
79.05141	0.9
79.05495	9.5
81.03419	26.5
81.07056	16.0
83.04967	4.0
83.08170	0.8
83.08624	11.4
84.08120	1.5
85.02905	10.7
89.70369	0.9
91.05483	12.1
93.07051	15.3
95.04977	11.4
95.08610	15.4
97.02879	1.2
97.06535	8.5
97.10132	2.2
98.20861	1.0
98.97549	2.2
99.08065	1.1
105.07034	18.9
107.04968	5.2
107.08601	10.3
109.06504	2.4
109.10181	7.5
110.58672	0.9
111.04468	1.3
111.07412	1.2
111.08094	7.8
113.05988	1.7
116.06107	0.9
117.06993	3.6
119.08588	15.4
121.06477	2.7
121.09348	1.4
121.10155	15.5
123.04425	1.0
123.08046	2.6
123.11714	5.3
125.09639	1.0
129.07008	4.8
131.08582	11.4
133.06462	1.6
133.10150	8.1
135.08031	1.9
135.11711	7.9
137.09625	1.2
137.13269	1.3
141.06985	1.3
142.07751	2.5
143.08566	5.6
145.10129	9.4
147.08017	1.7
147.11707	9.4
149.09583	3.2
149.13268	2.5
155.08508	4.1
156.09332	2.2
157.10139	13.3
159.08026	1.6
159.11711	7.3
161.09616	2.1
161.13228	3.5
163.11243	0.9
165.12733	1.7
169.10101	10.4
169.32591	1.0
170.14297	0.9
171.10291	1.7
171.11694	29.3
173.09653	1.5
173.13286	5.3
175.11182	7.8
175.14813	2.1
182.10921	1.9
183.11742	5.2
185.13252	8.5
187.11130	1.0
187.14789	3.8
189.12698	3.9
189.16339	1.8
191.10716	1.3
191.14290	1.3
193.12241	23.4
195.11751	1.2
197.13277	9.4
199.14925	4.3
201.12743	7.3
201.16365	2.7
209.13152	0.9
211.11324	1.5
211.13185	12.5
211.14864	2.6
215.14333	6.6
224.15558	1.3
225.16437	5.5
227.14229	1.3
227.17879	3.9
229.15984	4.2
239.17928	8.6
240.23212	3.2
241.19522	35.2
242.05730	9.8
243.17419	3.8
243.20908	2.2
257.04544	1.0
257.22522	1.7
267.15915	4.1
267.21054	17.3
270.05124	4.5
274.02548	1.0
284.62738	1.1
285.07617	33.3
285.16409	9.3
285.18607	10.1
285.22064	100.0
285.28909	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.7
55.01871	4.6
55.05269	2.6
55.05512	26.1
57.03203	2.5
57.03444	34.2
57.07061	4.3
60.53131	1.9
63.00057	2.8
64.02431	2.2
67.05506	38.1
69.03418	6.7
69.07083	16.4
70.06591	4.6
71.04993	9.1
71.52169	3.0
72.08177	3.2
79.05498	31.3
81.03420	100.0
81.06607	3.0
81.07061	46.2
83.05003	12.5
83.08617	36.1
84.08142	4.1
85.02442	3.9
85.02913	49.9
85.06528	4.1
91.05482	34.7
91.41138	2.0
93.07058	32.0
95.04980	43.8
95.08615	24.6
97.02891	6.7
97.06522	7.9
97.10157	4.9
99.04431	2.4
99.08092	5.0
105.07037	41.9
106.07339	3.9
107.04945	8.2
107.08601	22.0
109.06509	10.9
109.10143	9.0
111.04457	4.3
111.08096	15.9
113.05985	4.5
116.06252	3.2
117.07008	5.1
119.04913	2.6
119.08591	39.2
121.06521	4.6
121.10154	21.6
123.04419	11.9
123.08040	6.0
123.11700	6.1
125.00060	2.4
125.09646	2.7
127.04011	2.1
128.06198	2.0
129.07019	19.4
131.08580	30.4
132.09279	2.4
133.06503	3.7
133.10150	15.3
133.44698	2.1
135.08087	5.7
135.11694	4.7
141.06953	2.5
142.07773	7.7
143.08553	6.9
145.10152	16.0
147.08069	7.3
147.11713	29.5
148.07596	2.6
149.09618	8.2
149.13223	4.0
155.08577	5.8
155.88435	2.0
157.10135	26.9
159.08089	13.1
159.11705	9.4
161.09613	4.2
161.13312	4.0
165.12773	7.3
169.10091	6.9
171.11670	10.3
173.09511	2.8
173.13264	6.1
175.11217	20.3
182.10959	3.1
183.11703	4.4
185.13263	6.0
187.11325	2.3
189.12717	3.2
193.12259	92.5
195.11638	2.4
197.13222	3.9
199.14789	5.1
201.12846	3.0
209.13199	5.1
211.13266	64.4
223.47241	2.1
225.16678	2.1
227.14291	5.2
227.17850	4.5
229.14281	3.0
240.23264	7.8
241.15822	2.8
242.05757	25.8
243.17482	9.1
253.14389	5.5
257.04358	3.4
257.22427	2.6
267.15747	15.6
267.21143	5.5
270.05194	12.0
284.63474	2.4
285.07584	88.5
285.17023	79.9
285.22150	26.2
285.29105	4.7
309.69669	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48060	0.5
53.03948	2.3
55.01870	2.3
55.05512	7.9
57.03436	6.6
57.07074	0.5
59.04996	0.9
63.71912	0.5
65.03945	1.2
67.05508	13.6
69.03439	2.8
69.07072	5.2
69.29964	1.1
69.30366	4.2
70.06599	3.4
71.04994	2.6
75.04485	0.6
79.05148	0.4
79.05497	13.4
81.03421	100.0
81.06653	0.4
81.07056	17.0
83.04976	5.9
83.08624	22.0
84.04502	0.9
84.08155	2.5
85.02915	6.2
85.06550	1.9
86.09715	1.8
88.84071	0.5
91.05483	17.9
93.07053	11.9
95.04968	27.5
95.08609	8.2
97.02898	3.1
97.06548	2.0
97.10159	1.0
98.97595	1.0
98.98413	0.5
99.04459	0.6
99.08092	1.1
105.07037	15.4
107.04972	6.6
107.08598	7.0
109.06517	4.0
109.10158	4.6
110.07144	1.0
111.04453	1.8
111.08092	11.0
113.05996	0.7
115.05429	0.6
117.07026	2.4
119.08587	14.8
120.08091	0.9
121.06516	2.1
121.10146	7.4
123.08060	1.3
123.11685	2.2
128.06216	0.6
129.07013	9.0
129.10249	1.2
131.08580	9.8
133.06523	3.0
133.10135	7.7
135.08028	1.0
135.11693	1.9
137.09615	1.6
137.13257	0.7
139.11176	0.6
140.15660	0.5
142.07773	2.8
143.08568	2.3
145.10150	6.5
147.08072	2.9
147.11687	10.8
149.09628	5.1
151.11221	1.0
153.01839	0.7
155.08545	2.1
157.10127	13.8
159.11699	3.5
161.09676	0.7
161.13245	2.2
163.11217	0.6
165.12758	2.4
169.10164	1.9
171.11673	3.1
173.13281	1.7
174.13011	0.5
175.09778	1.1
175.11189	13.1
175.14850	0.9
183.11754	1.8
185.13271	2.0
187.14807	0.9
193.12251	60.4
197.13242	1.3
199.14810	3.2
201.16443	0.7
211.13228	9.7
211.14934	1.6
213.16348	0.6
225.10281	0.5
225.16461	0.8
227.17889	2.5
242.05811	3.3
253.57253	1.0
254.07269	0.7
257.22464	0.6
267.15936	15.5
267.20944	6.3
268.13260	0.6
269.04266	0.7
270.05200	2.7
279.37927	0.5
285.07584	16.8
285.12561	2.7
285.17072	8.8
285.22058	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0831
Annotation	9-.beta.-D-Ribofuranosylxanthine
Peak:m/z	Relative Intensity
55.01872	5.1
55.02981	0.4
56.05033	0.5
56.96562	2.2
57.03439	9.6
57.07076	0.6
58.06581	0.5
59.04982	0.8
60.04531	2.6
61.02934	2.1
67.05492	0.6
69.03429	6.5
69.07058	0.5
70.06596	3.1
70.92859	1.1
71.01354	2.8
71.04993	0.4
72.08147	0.6
73.02922	5.8
78.35069	0.5
81.03383	0.6
83.06100	0.6
84.04514	0.9
84.08149	5.4
85.02917	7.7
85.37950	0.4
86.09701	0.7
87.04479	1.1
88.04000	0.7
91.05469	0.6
97.02888	5.4
97.74490	0.5
98.97588	3.8
103.03932	1.3
106.05025	1.3
110.03522	7.4
110.07145	2.9
110.97550	0.9
114.09164	0.6
115.03945	4.5
116.98621	1.1
120.08102	1.2
121.06497	0.5
127.03875	0.5
129.10248	1.2
133.04970	11.9
136.01424	13.9
136.07561	0.5
150.05476	0.9
152.05675	1.0
153.04079	100.0
154.02489	8.0
158.99695	1.1
163.04433	0.7
168.95767	0.6
170.11797	1.0
177.00723	0.6
210.85669	0.5
219.01825	1.3
237.02866	1.3
242.05797	0.9
242.13837	4.0
267.13492	0.7
285.07489	2.5
285.14386	1.7
285.17975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59896	0.6
69.49354	2.4
69.49757	1.4
70.06606	5.7
72.08147	1.7
84.08149	5.2
85.02908	0.8
86.09713	5.0
91.05493	0.7
93.04523	0.7
95.06054	0.6
97.04280	0.6
98.20709	0.5
110.07177	4.8
126.12797	0.9
127.44339	0.6
129.10271	1.9
136.07574	0.7
152.05675	1.0
185.04222	2.8
238.10898	0.7
251.15140	0.9
257.09924	7.7
284.11060	100.0
284.29456	1.2
285.07526	0.7
294.56708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0989
Annotation	Guanosine
Peak:m/z	Relative Intensity
56.96551	0.3
57.03429	0.3
69.03416	0.3
69.94441	0.5
70.06575	0.3
71.01336	0.2
85.02885	0.2
92.29916	0.2
98.20902	0.3
98.97581	0.3
109.05134	0.5
110.03546	2.2
118.32298	0.2
128.04581	0.5
134.04607	0.3
135.01968	0.3
135.03023	6.1
152.05675	100.0
153.04086	3.9
153.05991	0.2
157.08115	0.2
167.14047	0.2
200.11363	0.2
202.12816	0.2
227.33888	0.2
284.10696	0.2
300.76779	0.2
308.22821	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26669	1.2
51.56066	1.2
53.03931	1.8
55.01863	3.2
55.05505	16.8
57.03418	4.2
57.07060	3.7
59.04990	3.8
65.03922	1.6
67.05505	29.6
69.03433	8.2
69.07067	20.5
70.06570	3.8
70.63026	2.7
71.05000	10.5
79.05492	29.6
81.07058	52.9
83.04977	11.0
83.08620	12.1
84.08149	6.5
85.02867	1.3
85.06545	38.3
89.06034	2.7
91.05479	16.0
93.07046	65.0
95.04953	4.6
95.08610	74.4
97.02881	2.2
97.06522	12.2
97.10172	4.1
98.97565	2.0
99.04501	1.6
99.08101	7.7
103.05470	1.5
105.07022	24.8
107.04958	2.2
107.07880	2.5
107.08593	41.7
109.06501	4.1
109.10157	37.6
111.04402	3.0
111.08080	9.1
113.09637	9.2
117.07027	2.9
119.08576	19.2
120.08114	2.5
121.06483	3.7
121.10146	67.4
123.08064	3.6
123.11684	7.5
125.09638	10.5
127.11212	2.4
129.05476	2.3
129.06992	1.4
129.09128	1.7
131.08566	8.1
133.06511	3.3
133.10132	19.0
135.11684	19.5
137.09622	2.3
139.07550	2.6
139.10107	2.8
139.11179	45.5
143.08553	2.9
143.31723	1.5
145.10124	11.0
147.11696	19.5
149.05992	1.9
149.09641	2.4
149.13243	8.4
151.11177	5.2
153.12737	3.0
155.08444	1.5
156.13820	2.5
157.10165	2.1
157.12263	1.3
159.11682	14.9
161.13275	9.2
163.11185	5.5
163.14812	5.0
165.12766	2.1
171.11562	1.4
173.09630	1.5
173.13277	12.9
175.14824	2.3
177.12708	5.0
177.16281	2.3
181.12227	1.5
183.11682	1.8
185.13290	1.6
187.14774	3.4
189.16373	14.2
191.10693	1.4
195.13820	8.1
201.16409	2.7
203.17918	5.0
209.13312	2.4
219.17513	1.5
221.18925	1.5
223.13171	2.2
227.12651	2.2
229.19556	11.0
230.03403	1.3
235.20442	1.3
241.14314	21.0
247.20605	8.7
265.21640	100.0
283.15393	12.8
283.20587	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	283.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01865	2.8
55.05513	11.0
57.03439	4.8
57.07067	2.5
59.04998	1.1
59.67846	0.8
61.58949	0.7
65.03906	0.9
67.05505	25.1
69.03432	5.0
69.06731	1.2
69.07072	17.7
69.95367	1.8
69.95784	2.3
70.06573	2.7
71.04993	12.7
71.08627	0.8
79.05499	12.2
80.76012	0.8
81.06602	1.5
81.07063	26.4
83.04990	5.6
83.08622	7.3
84.08137	2.6
85.06546	100.0
91.05485	11.5
93.07046	36.1
93.07641	1.2
95.04946	2.5
95.08609	66.2
97.02905	0.8
97.06532	16.4
97.10176	3.6
98.21403	1.5
99.04416	0.9
99.08099	22.8
101.05981	0.9
103.05440	1.0
103.07546	1.0
105.07038	25.0
107.04955	1.8
107.08597	30.6
109.06514	2.2
109.10167	14.1
111.04442	1.2
111.07381	1.2
111.08096	16.4
111.11726	1.2
113.09628	5.8
115.07566	1.6
117.07024	2.9
119.08585	31.3
121.06515	3.0
121.09335	1.7
121.10148	22.7
123.08029	2.3
123.11720	6.4
125.06006	1.0
125.09612	5.1
129.05505	1.3
129.06998	1.3
131.08582	7.1
133.06456	2.3
133.10138	14.0
135.08026	1.5
135.11700	20.9
137.09656	1.7
139.07539	2.2
139.11183	2.2
141.09058	1.6
143.07039	1.1
143.08560	1.3
145.09058	1.5
145.10124	17.4
147.11694	31.9
149.06012	1.3
149.09607	2.2
149.13268	6.2
151.07536	1.6
151.11211	5.5
153.12735	6.2
157.08641	1.0
157.10100	1.5
159.11708	10.7
161.13246	6.0
163.11163	4.3
163.14799	2.8
165.12761	20.5
167.14401	1.5
169.12196	1.6
171.11604	1.3
171.13789	9.1
173.09644	2.2
173.13261	8.5
175.14880	1.3
177.12755	2.6
177.16371	1.0
183.11739	1.2
185.13239	1.3
185.15315	1.0
187.14824	7.0
189.16412	5.6
191.14243	1.6
195.13799	7.6
195.53294	1.0
199.14900	1.3
201.16452	5.6
203.17970	7.3
205.12238	1.0
207.17424	1.5
209.13452	0.9
209.15399	2.9
221.19023	3.0
223.13304	1.7
229.19530	13.6
235.20662	1.0
241.14333	13.9
247.20605	15.9
265.19095	1.4
265.21677	16.0
283.02185	1.3
283.15579	6.9
283.20398	4.6
283.23138	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	283.2058
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
53.03930	1.6
55.01860	1.4
55.05516	7.3
57.03407	1.0
57.07067	2.3
59.04986	1.4
62.51884	0.8
65.03925	1.2
67.05507	9.9
69.03416	5.1
69.07073	11.4
69.84339	2.0
69.84726	2.2
71.04987	6.4
73.60667	0.9
79.05505	8.5
81.03416	1.1
81.07057	19.5
83.04965	3.2
83.08616	4.0
85.06538	1.6
89.06008	2.5
91.05484	12.5
93.07045	19.7
95.04967	6.6
95.08607	18.1
97.06527	3.6
99.49035	0.8
100.87577	0.9
103.05459	1.2
105.07034	33.1
107.08597	17.4
109.06519	5.8
109.10152	12.8
111.08076	1.6
115.05415	1.6
117.07018	7.4
119.04932	1.3
119.08582	31.9
121.06495	10.0
121.10144	30.7
123.08105	4.3
123.11687	5.7
128.06224	3.8
129.07004	5.2
130.07759	2.2
131.08583	19.7
133.06407	1.4
133.08566	1.4
133.10130	21.4
135.08078	10.2
135.11696	5.7
137.09604	1.8
137.13226	1.7
141.07004	2.0
142.07785	5.5
143.08569	16.6
144.09311	3.2
145.10118	27.6
146.07341	1.4
147.08018	2.8
147.11717	7.2
149.09604	1.2
149.13275	2.6
151.11185	1.4
155.08533	4.4
156.09328	4.4
157.08897	0.7
157.10135	18.2
158.10876	5.5
159.08046	5.6
159.11729	10.4
161.09630	18.8
161.13269	3.3
163.11172	3.6
165.07005	1.8
166.07741	1.8
167.08563	3.0
168.09372	2.8
169.10120	5.2
170.10878	2.2
171.07990	1.3
171.11667	12.6
172.08833	1.7
172.12408	1.1
173.09598	4.0
173.13264	43.5
175.11208	2.6
175.14832	6.0
179.08569	6.5
180.09367	1.5
181.10127	4.4
182.10979	1.1
183.11690	11.0
184.12477	1.3
185.09663	2.6
185.13254	13.9
187.11197	1.8
187.14821	6.3
189.12750	2.8
193.10155	5.0
194.10892	5.9
194.51595	0.9
195.11685	7.8
195.13597	1.8
196.12456	2.1
197.13309	5.6
199.11133	3.2
199.14844	10.0
201.12715	3.2
201.16393	3.5
203.14253	1.3
207.11673	2.6
208.12497	3.3
209.13246	21.3
210.13995	2.9
211.14793	2.9
213.12764	6.5
213.16338	3.4
215.14377	1.4
221.13266	1.4
222.13965	1.3
223.14836	9.7
224.15656	1.2
225.16400	9.0
227.14304	10.5
235.14804	2.7
237.16362	3.4
239.17958	1.4
241.14305	3.6
250.17174	1.8
255.21027	2.1
265.19510	33.9
283.15552	2.7
283.20551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2055
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
53.03931	3.7
55.05514	12.4
57.03435	2.4
57.07065	4.2
57.15573	1.4
59.04985	2.2
60.15646	1.2
63.54344	1.4
65.03933	2.5
67.05505	22.4
69.03426	9.5
69.07072	14.2
70.34477	3.4
71.04995	17.9
73.03291	1.3
79.05074	1.7
79.05495	20.5
81.06591	2.5
81.07056	43.0
83.04990	3.4
83.08601	5.6
85.06548	2.6
87.75592	1.3
91.05476	24.7
93.07043	49.8
95.04970	14.6
95.08607	24.9
97.06509	6.6
97.10212	1.8
98.99345	1.3
103.05471	2.3
105.07032	59.9
106.07784	1.6
107.04927	1.6
107.07878	2.2
107.08592	34.1
109.06513	10.9
109.10156	18.4
111.08075	4.0
115.05452	4.2
117.06992	13.4
117.13148	1.2
119.06094	1.5
119.08587	40.5
121.06512	11.9
121.10146	81.4
123.08071	8.1
123.11699	8.6
125.09602	2.2
128.06227	5.5
129.07016	9.4
130.07796	9.1
131.08563	34.6
131.09544	2.6
133.06487	2.8
133.10124	39.9
135.08069	9.6
135.11703	10.5
137.09628	3.6
138.74992	1.4
141.06979	1.8
142.07822	6.7
143.08565	23.3
144.09369	4.2
145.06369	1.9
145.10126	48.4
146.07277	4.0
147.08049	3.7
147.11725	11.2
149.13295	2.1
155.08568	5.0
156.09323	6.1
157.10106	24.1
158.10930	7.3
159.08055	3.8
159.11705	18.0
161.09624	33.4
161.13246	6.6
163.11198	7.5
165.07028	1.8
167.08571	2.5
168.09407	2.2
169.10141	5.8
170.10951	3.1
171.08066	1.7
171.11688	18.3
172.12390	1.6
173.09644	3.8
173.13271	69.0
175.11208	4.0
175.14812	8.7
177.12718	3.0
179.08540	3.8
181.10139	6.0
182.10924	1.6
183.11679	5.0
185.09634	2.0
185.13239	10.5
187.11163	2.7
187.14835	9.6
189.12798	4.0
191.14293	5.4
193.10114	3.3
194.10922	5.2
195.11702	7.8
195.13824	4.8
197.13268	5.0
199.11212	4.0
199.14775	9.3
201.12741	2.8
201.16324	3.9
207.11647	3.4
208.12456	2.3
209.13274	15.2
211.14841	2.3
213.12761	4.4
213.16289	3.7
214.26619	1.4
215.14349	2.3
223.14894	7.6
225.16365	5.7
227.14290	9.7
239.17920	2.3
241.14195	9.8
250.17136	2.1
255.20985	10.6
265.19547	23.8
283.20569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2057
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
53.03937	4.4
53.05988	1.5
55.01866	2.8
55.05514	10.7
57.03427	2.5
57.07062	6.0
59.04998	2.0
65.03931	3.1
67.05180	2.1
67.05511	24.5
69.03431	13.4
69.07074	13.7
70.90684	3.9
71.04655	2.2
71.05000	24.4
71.08640	1.5
72.92326	1.3
79.05499	24.6
81.03381	1.3
81.06602	2.5
81.07062	43.0
83.04964	3.8
83.08622	5.7
84.08123	1.4
85.06536	4.0
86.40951	1.3
89.06037	2.7
91.05483	30.6
93.06493	3.1
93.07050	50.8
95.04981	14.8
95.08612	28.7
97.06525	8.8
105.07039	70.1
107.04940	3.3
107.08600	38.5
109.06509	8.9
109.10162	17.9
111.04430	1.7
111.08096	4.8
115.05466	3.2
116.06197	1.5
117.07037	13.4
119.08589	48.3
121.06506	11.2
121.10152	100.0
123.08057	9.5
123.11705	6.0
125.09623	2.1
128.06206	5.1
129.05440	2.6
129.06998	7.7
130.07793	8.3
131.08578	41.9
133.06459	4.2
133.07620	3.8
133.10136	40.8
135.08061	9.4
135.11694	14.2
137.09599	1.9
141.06990	2.2
142.07770	4.0
143.07059	1.3
143.07449	2.1
143.08566	22.6
144.09323	5.3
145.10135	57.9
146.07228	3.0
147.08070	3.1
147.11713	11.6
149.09575	2.3
149.13245	3.2
151.11212	2.9
153.06992	1.5
155.08528	4.2
156.09340	3.9
157.10135	19.6
158.10889	8.3
159.08093	2.5
159.11685	17.3
161.09633	34.9
161.13255	6.1
163.11182	6.8
163.14877	2.3
165.06989	1.9
166.07722	1.7
167.08630	2.5
169.10152	6.2
170.10927	2.1
171.11696	12.2
172.12335	1.6
173.09587	3.5
173.13274	64.0
175.11183	4.2
175.14815	6.8
177.12720	3.6
179.08566	2.6
181.10110	3.7
183.11664	6.0
185.09569	2.5
185.13208	7.4
187.11176	1.7
187.14844	9.1
189.12770	3.5
191.14296	3.3
193.10123	1.7
194.10962	2.5
195.11714	4.7
195.13808	9.4
197.13280	2.7
199.11229	2.0
199.14862	7.5
201.12680	1.6
201.16353	5.6
208.12485	2.4
209.13290	10.7
211.14886	1.6
213.16443	3.7
215.14221	2.1
221.13258	2.0
222.14130	1.8
223.14819	5.7
225.16405	2.9
227.14342	5.3
235.14784	2.5
237.16370	1.6
239.17947	3.1
241.14294	14.4
255.21152	5.6
265.19556	19.2
283.15393	8.6
283.20578	82.5
287.29733	1.5
293.22925	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34887	0.4
54.03378	1.4
55.01805	0.7
55.05423	4.3
55.05717	0.8
56.04970	0.8
57.03375	0.8
57.07020	0.7
59.04947	0.5
60.04453	0.5
62.05965	0.4
67.05411	5.0
67.05798	0.8
68.04950	0.8
69.03336	2.1
69.04498	0.4
69.06973	5.1
69.07368	0.6
70.02877	0.8
70.06512	1.5
70.06866	0.4
70.62337	0.5
70.62666	0.7
71.04898	1.5
72.04421	15.0
72.04865	1.8
74.06010	0.8
79.05392	4.0
80.04929	1.4
81.04437	3.2
81.06960	10.5
81.07465	0.8
83.04886	2.1
83.08531	2.2
84.08079	1.0
85.06439	4.6
87.04435	0.4
88.07633	2.6
90.38911	0.4
91.05489	2.6
93.05708	0.5
93.07046	8.5
94.06483	1.3
95.04869	1.4
95.08614	9.9
95.09173	0.7
96.04404	1.4
96.08058	0.6
97.02798	0.8
97.06430	1.2
97.10072	2.7
97.53276	0.5
98.97507	0.4
99.05583	17.6
99.06174	0.7
99.08028	0.6
100.07615	2.3
101.05978	0.6
105.07018	3.9
106.06480	0.7
107.06098	2.5
107.08597	5.3
108.08097	0.6
109.06454	0.9
109.10163	4.3
111.08080	2.6
112.07566	0.6
113.09566	0.7
114.05533	4.3
119.08595	2.2
120.08057	1.1
121.06416	1.4
121.08819	1.0
121.10155	5.2
121.94043	0.5
122.09688	5.5
123.08092	2.2
123.11710	2.4
124.07517	1.8
125.09586	0.7
126.07780	1.0
129.05353	0.7
129.09135	2.3
131.08475	1.4
132.06548	2.8
133.10147	2.7
134.09605	0.6
135.09230	0.5
135.11717	2.9
137.09500	1.0
138.05545	0.5
138.12714	1.5
139.07536	3.2
139.11166	3.5
142.05009	4.3
142.12254	0.6
143.08447	0.4
145.10080	1.2
147.11633	1.6
149.05966	0.6
149.09612	0.9
149.10687	2.0
149.13193	1.4
150.12695	1.5
151.08592	1.6
151.11154	1.3
156.13713	0.5
159.11610	1.3
161.13217	0.6
162.07613	3.4
162.12720	1.2
163.14809	0.7
164.10710	4.1
165.13844	1.8
166.12291	20.7
168.13815	0.6
169.06049	1.6
173.13210	1.0
175.14819	0.6
177.12581	0.7
177.13882	1.3
177.16324	0.6
180.13847	1.2
182.11690	0.7
182.15390	1.8
184.13350	8.4
185.11731	1.4
189.13835	0.8
189.16296	0.6
193.13374	100.0
194.15421	5.7
195.13783	3.3
203.17995	0.9
208.13351	11.4
209.16527	1.2
211.14584	1.1
221.16518	16.9
223.13181	0.9
226.14400	31.5
229.15842	0.5
229.19543	0.7
235.14450	3.4
238.14386	1.5
241.14363	6.9
247.16980	0.9
247.20715	0.5
253.15465	5.1
256.15445	30.7
283.16644	21.4
283.22870	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	283.1908
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
53.03949	2.7
55.01633	1.6
55.01878	19.2
55.05516	18.7
57.03438	4.7
57.07084	2.1
67.05180	2.3
67.05514	32.4
69.03432	7.7
69.07076	62.5
69.95068	4.7
70.06594	3.6
71.04991	7.1
71.08627	1.7
73.06554	4.4
79.05501	60.9
81.03412	4.3
81.07065	55.9
83.04996	14.1
83.08627	11.5
84.08148	3.6
85.02896	2.1
85.06550	3.4
86.09703	2.8
91.04919	1.6
91.05489	38.5
93.07050	38.8
95.04958	7.5
95.08619	31.9
97.02905	2.2
97.06542	20.0
97.10162	3.1
98.98476	1.4
99.04425	2.3
99.08096	3.4
105.07037	18.9
107.04945	4.4
107.08602	100.0
109.06545	4.5
109.10174	12.2
111.04446	4.7
111.08099	7.1
113.06016	3.5
115.07546	2.6
116.44351	1.2
117.07024	13.4
119.08591	23.4
120.08126	2.4
121.02863	2.2
121.06516	5.5
121.10156	36.1
121.22105	1.1
123.08052	5.5
123.11702	4.7
125.06029	8.1
125.09643	44.3
129.07054	3.0
129.09131	3.0
129.10219	2.2
131.08585	53.4
133.06479	2.4
133.10144	23.2
135.08083	4.8
135.11705	13.3
136.12151	1.3
137.09598	6.7
139.07555	5.2
139.11188	9.8
141.06970	1.7
142.07814	1.7
143.07056	17.6
143.08192	2.0
143.08580	2.0
145.10133	18.8
147.08034	2.1
147.11737	7.3
149.06024	1.4
149.09636	20.5
149.13235	3.3
151.11214	3.0
153.09122	16.8
157.10147	2.8
159.11711	14.0
161.08127	4.7
161.09595	1.9
161.13324	3.0
163.11176	7.1
165.09109	3.0
167.10719	6.9
169.10133	2.3
171.10249	1.6
171.11673	2.2
173.09660	1.6
173.13260	10.1
175.14825	1.6
177.09152	4.2
177.12718	5.2
179.10655	3.1
183.10205	2.5
185.11781	1.9
185.13274	2.9
187.11153	1.3
187.14905	2.2
189.57272	1.3
191.10721	1.8
191.17932	1.6
195.10187	8.6
195.13797	9.6
199.14922	2.3
201.16409	33.8
203.18022	1.9
205.12128	1.7
211.14905	2.6
219.17459	17.2
223.13193	2.3
229.15825	7.3
241.14346	22.9
247.16951	20.6
265.17938	15.9
283.15369	11.6
283.19269	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
53.33727	0.9
55.01877	5.0
55.05513	9.0
57.03445	10.3
57.07056	1.7
67.05183	1.3
67.05508	15.0
69.03407	1.7
69.07072	8.7
70.63966	2.7
71.04972	2.7
73.02914	1.1
79.05496	25.6
81.03403	3.0
81.07060	20.6
83.04974	4.1
83.08623	7.7
89.06015	3.4
91.05489	7.5
93.07046	35.3
95.04958	6.8
95.08611	35.7
97.02880	3.2
97.06528	3.9
97.10124	1.1
98.16553	0.9
99.04442	3.0
105.07038	9.2
107.04967	9.9
107.07891	1.4
107.08605	23.8
109.06514	1.7
109.10149	3.3
111.04454	1.9
111.08064	2.8
117.07021	8.2
119.08586	8.9
121.06506	4.8
121.10162	12.3
122.67876	0.9
125.06004	2.7
130.07776	2.3
133.10114	1.9
135.08035	2.7
135.11700	45.6
139.07553	2.2
145.09073	1.8
145.10136	26.8
153.12700	1.0
163.11185	59.8
181.12241	14.8
195.13799	1.4
209.11729	1.1
227.12793	100.0
241.14275	2.5
264.26999	0.9
283.15375	34.0
283.20248	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	11,13-Dihydrosilostachyin
Peak:m/z	Relative Intensity
50.89998	1.3
53.03931	2.5
53.72445	1.3
55.01868	3.4
55.05522	10.9
56.32495	1.2
57.03446	8.8
57.07060	3.7
65.03937	2.0
67.05509	22.0
69.03437	8.1
69.07072	12.5
71.04977	3.2
71.08631	1.5
73.02902	1.6
79.05077	2.2
79.05504	28.6
81.03418	2.2
81.06667	1.5
81.07070	22.8
83.05000	7.7
83.08630	11.6
85.06547	2.7
87.04478	1.9
89.06033	6.7
91.05480	11.9
93.06496	2.9
93.07055	46.2
95.04992	7.2
95.08617	38.7
96.74897	1.4
97.02886	3.6
97.06524	6.2
99.04434	3.7
99.08054	1.6
101.06028	2.5
105.07032	8.2
107.04981	10.6
107.08606	28.3
109.06524	4.3
109.10148	6.8
111.04416	2.6
111.08111	6.8
113.09627	1.8
117.07031	8.5
119.08601	11.7
121.06506	8.5
121.10153	15.5
125.05991	3.2
129.05473	3.1
129.09108	2.4
130.07733	1.7
131.08559	2.4
133.08614	3.0
133.10136	4.0
135.08052	2.4
135.10716	3.0
135.11707	50.8
139.07510	5.9
143.08490	1.6
145.10138	26.8
151.11148	3.5
153.12756	1.5
155.08546	1.9
159.11758	2.9
163.11192	53.9
173.09657	1.8
177.12782	4.9
181.12210	12.1
195.13843	9.8
209.11684	2.6
223.13312	3.1
227.12804	100.0
241.14388	20.4
246.98958	1.4
255.15955	2.8
261.38046	1.6
283.15366	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1544
Annotation	11,13-Dihydrosilostachyin
Peak:m/z	Relative Intensity
53.03949	3.7
55.01877	7.1
55.05515	20.6
57.03440	13.3
57.07084	4.5
65.03917	1.9
67.05505	28.1
69.03438	21.1
69.07075	22.9
70.06598	8.8
70.80405	4.1
71.05000	5.3
72.08156	4.0
74.31219	1.5
74.31689	1.6
79.05499	29.7
79.47550	2.1
81.03440	4.6
81.07067	38.7
83.04983	17.1
83.08614	12.6
84.04524	2.3
84.08142	7.9
85.06566	9.9
87.04463	1.9
88.03162	1.6
89.06049	3.4
91.05495	18.8
93.07050	68.7
95.04973	11.7
95.08615	75.0
95.10407	1.5
97.02894	2.7
97.06529	10.3
97.10178	3.6
99.04480	4.1
99.08138	4.7
101.06036	3.0
103.05495	2.4
105.07045	20.3
107.04947	17.3
107.08598	35.9
109.06513	9.3
109.10159	16.7
110.07210	3.8
110.83631	1.5
111.04491	4.9
111.08095	17.2
113.09650	2.1
115.03928	2.9
115.07605	2.1
117.07008	9.1
119.08598	16.5
120.08157	5.7
121.06511	20.4
121.10147	19.9
122.33374	1.7
123.08083	4.9
123.11724	3.6
125.06019	8.2
125.09666	1.9
126.01130	2.4
127.07720	1.9
129.05476	8.2
129.09169	6.9
130.07777	2.8
131.08633	3.3
133.06497	12.7
133.10199	7.1
134.07359	3.5
135.08093	4.7
135.11703	52.1
136.07675	2.4
137.06099	1.9
137.09668	4.4
137.13324	2.4
139.07542	14.3
143.07031	2.6
143.08594	2.9
145.06531	2.4
145.10127	27.0
147.11812	1.8
149.06055	5.2
149.09708	3.2
149.13326	7.5
150.06831	2.3
151.11200	12.4
153.12820	3.0
157.08687	5.9
157.10158	1.9
159.11667	8.8
161.06030	4.2
161.13365	4.0
163.07599	2.1
163.11192	61.6
173.09692	2.5
177.12784	11.5
179.14372	4.3
181.12251	17.2
181.13716	1.7
187.11208	1.8
189.09048	9.5
195.13823	37.9
197.15442	6.2
199.09671	2.0
205.12381	2.3
209.11662	3.3
209.13521	2.0
223.13280	8.0
227.12798	100.0
229.19676	1.9
241.14354	64.0
265.14575	5.5
283.06216	3.5
283.10495	2.7
283.15601	60.3
283.20660	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	283.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03951	0.8
55.01875	1.5
55.05515	0.8
57.03442	0.5
57.07064	0.3
59.08101	0.3
65.03916	0.3
67.05503	0.8
69.03445	0.5
69.07069	1.3
70.06573	0.5
71.03048	0.6
71.08614	0.4
79.05498	5.2
79.05925	0.5
81.03430	0.5
81.07079	1.6
83.05009	0.5
83.08607	0.4
84.08115	0.3
85.06561	0.7
90.79868	0.3
91.05486	1.3
93.07055	1.7
95.04972	0.5
95.08608	1.6
97.06543	0.3
99.04443	0.4
103.05460	4.1
103.40863	0.3
103.91532	0.3
105.07034	40.3
105.15363	0.3
107.04962	2.1
107.08619	0.8
109.06540	0.5
109.10156	0.9
111.08069	0.7
115.05478	2.0
115.06172	0.3
117.07017	0.5
119.08588	0.4
121.02873	0.4
121.06519	0.7
121.10175	0.4
121.48012	0.3
123.11712	0.4
127.43477	0.3
128.06229	0.5
129.05437	0.3
129.09154	0.3
131.04932	2.3
131.08575	0.6
132.05688	0.4
133.06496	100.0
134.07262	0.6
135.11668	0.7
139.07565	0.4
143.08508	0.5
145.06468	1.6
147.11687	0.4
151.07535	0.7
157.06133	0.3
159.08070	1.3
159.11676	0.4
163.11261	0.4
171.08070	1.1
177.12762	0.5
195.13797	1.1
239.10640	1.4
241.14308	1.9
253.12227	1.3
283.12866	1.3
283.15845	0.6
283.20566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.133
Annotation	Juncunone
Peak:m/z	Relative Intensity
53.03933	2.5
55.01867	4.7
55.05486	3.0
57.07063	1.6
65.03928	1.4
65.75106	0.8
67.05513	6.1
68.99772	1.6
69.03430	4.3
69.07079	5.4
70.06559	2.0
70.70901	2.4
71.04984	1.4
74.94316	0.9
77.03905	1.4
79.05502	9.4
79.10445	0.8
81.03412	1.1
81.07050	8.3
83.04961	4.0
83.08595	2.0
84.08117	1.8
85.06522	1.4
89.05999	1.5
91.05482	11.6
93.06486	1.2
93.07043	14.4
95.04955	4.8
95.08615	7.6
97.02883	1.6
97.06515	1.3
98.97552	1.1
101.05988	1.1
103.05476	44.4
105.04490	2.2
105.07037	46.2
106.07330	1.1
107.04964	36.2
107.08601	5.4
109.06516	2.1
109.10131	3.1
110.07064	1.5
111.04389	0.9
111.08079	4.4
115.05439	3.6
116.06255	1.3
117.06982	3.8
119.04996	5.8
119.08591	6.1
121.02858	2.2
121.06507	31.5
121.10099	3.5
123.04418	7.2
125.05958	1.5
128.06190	3.2
129.05501	1.6
131.04955	4.8
131.08488	4.3
131.29234	0.9
132.05690	1.2
133.06499	76.9
133.10101	3.6
134.07278	42.5
135.04414	4.9
135.08047	4.5
135.11674	4.2
137.05940	3.5
137.09567	1.4
139.07510	2.8
142.07738	1.0
143.08549	7.1
144.05708	1.0
145.06453	4.2
145.10101	3.0
146.07210	2.2
147.04395	3.1
147.08058	7.0
147.09026	1.3
148.05183	9.0
149.05986	36.2
149.09538	1.1
149.13260	1.8
150.06769	21.6
151.11160	1.9
157.08572	1.0
157.10062	1.2
158.07265	1.1
159.08099	1.1
159.11697	1.7
160.05220	1.5
161.04663	1.8
161.05992	33.7
161.09636	21.9
163.07550	15.7
163.11122	2.1
171.08040	1.6
172.79410	0.9
173.09593	3.2
174.06747	3.3
175.07558	1.4
177.09085	1.8
177.12700	2.4
189.09116	100.0
195.11621	0.9
195.13812	8.0
209.09642	1.0
209.11552	1.0
223.13188	1.8
241.11943	1.2
241.14352	17.0
255.10086	2.8
283.13205	89.1
283.19736	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	282.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00129	0.2
55.05502	0.9
55.14182	0.2
59.04999	1.4
61.02927	1.6
67.05505	0.3
68.05012	0.7
69.03423	0.6
69.07059	0.6
69.33229	1.6
69.33640	0.4
70.06602	6.3
71.05004	3.7
71.06921	1.6
72.08153	1.0
79.05491	1.1
80.01322	0.3
80.47370	0.2
81.07066	6.3
82.07388	0.4
84.08147	1.2
86.09709	0.9
87.08107	0.6
91.05495	0.5
93.07052	0.3
94.06588	0.3
97.02861	0.4
98.97599	0.6
99.08134	0.3
105.07021	0.3
107.08568	0.3
109.05164	0.8
110.03539	3.7
110.07159	0.4
112.07628	1.8
113.09648	1.0
114.05550	0.9
115.05833	0.3
120.04491	1.0
120.08114	1.1
121.06507	0.3
122.10491	0.2
128.04584	1.1
129.10233	0.6
135.03030	8.7
152.05688	100.0
153.04089	7.3
166.07256	0.7
172.59213	0.3
176.10674	0.3
177.11168	0.6
194.11816	0.3
195.12167	0.5
210.14935	1.3
211.15395	0.2
220.13394	0.6
232.11888	0.6
246.17026	0.3
247.09789	0.3
250.12962	2.3
264.18033	0.6
281.61542	0.5
282.15680	32.3
282.18967	11.0
291.03973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.2
55.05525	0.5
56.05046	0.3
56.96593	0.2
57.03449	0.3
58.06662	0.2
59.05001	0.7
59.57326	0.1
60.04553	0.3
61.02949	0.6
62.69033	0.1
67.05527	0.2
68.05051	0.1
69.03439	0.4
69.07092	0.4
69.32471	1.1
70.06590	1.9
71.01362	0.6
71.04996	8.5
72.08154	0.8
79.05499	0.7
81.03439	0.2
81.07062	2.7
83.08636	0.1
84.04525	0.4
84.08152	1.7
85.02936	0.2
85.08526	0.1
86.09715	1.2
87.04490	0.4
88.04002	0.2
89.00980	0.1
89.02410	0.3
91.05476	0.8
95.04994	0.1
95.08597	0.1
97.02896	0.3
97.06521	0.1
98.09727	0.2
98.21545	0.3
98.97606	0.5
99.08115	0.1
99.57126	0.1
103.05472	0.5
105.07038	0.6
107.04933	0.3
107.08578	0.3
108.05346	0.2
109.05141	0.7
110.03532	3.4
110.07152	0.4
112.07641	0.3
112.08768	0.2
113.09649	3.8
115.03906	0.2
116.03463	0.2
120.04442	0.2
120.08110	9.1
121.06472	0.3
121.10168	0.2
122.06036	0.2
122.09677	0.2
128.04556	1.2
129.10236	0.7
134.04633	0.2
134.09618	0.2
135.03020	4.5
136.01425	0.2
136.06189	0.2
136.07556	0.3
145.06441	0.2
147.22658	0.1
148.04727	0.2
152.05679	100.0
153.04077	6.3
153.05936	0.2
154.02415	0.2
158.99637	0.2
164.11746	0.2
166.07249	0.5
166.08655	1.0
176.03355	0.3
185.03938	0.5
189.09090	0.2
190.08646	0.3
210.14862	0.5
216.10133	0.2
232.11909	0.5
236.09192	1.4
250.12952	0.5
264.12051	0.2
264.14587	0.2
282.15549	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	282.1198
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
55.01868	0.6
55.05502	0.2
56.05042	0.2
56.96572	0.2
57.03439	1.2
57.07062	0.2
59.04994	0.7
60.09251	0.2
61.01147	0.2
61.02930	0.5
67.05519	0.2
69.03439	2.0
69.06996	0.2
69.97363	0.2
69.97652	0.9
70.02930	0.2
70.06593	2.0
71.06963	0.2
72.08138	0.5
73.02917	0.4
73.06533	0.2
75.04482	0.3
84.04501	0.5
84.08153	1.4
85.02905	1.1
85.06559	0.9
85.08480	0.3
86.09699	0.6
87.04466	0.5
87.05625	0.2
88.04015	0.2
91.05485	0.5
92.05821	0.2
94.04059	0.4
97.02899	0.9
97.55235	0.2
98.21449	0.3
98.97583	0.4
101.06026	1.0
103.07585	2.2
104.05322	0.2
115.03960	0.3
119.03573	1.1
119.04862	0.2
119.38170	0.2
120.08080	0.5
122.29768	0.2
122.75880	0.2
123.07915	0.2
129.10229	0.7
130.06554	0.2
136.06192	100.0
137.04588	0.5
137.07895	0.2
141.94844	0.2
145.04976	0.2
145.44363	0.2
147.04318	0.2
147.06529	0.4
150.07756	0.9
160.04843	0.3
173.09375	0.2
174.09506	0.2
182.03389	0.3
182.53616	0.2
191.69363	0.2
231.56717	0.2
232.06999	0.6
233.06859	0.2
248.08185	0.4
263.93210	0.2
264.24963	0.2
281.60184	0.2
282.09506	12.6
282.12100	4.3
282.22055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01863	3.0
55.05506	3.3
56.05030	2.0
56.05824	0.8
56.96568	5.9
57.03438	6.6
57.07058	2.6
60.04519	4.2
61.02932	9.9
62.05698	1.0
67.05496	3.5
68.80415	0.8
69.03427	17.5
69.07072	2.5
70.06597	6.0
70.27509	2.8
70.27874	1.1
71.01353	1.0
71.04977	2.4
72.08160	15.3
73.02918	5.4
73.08490	3.3
74.06068	2.5
76.86838	0.9
79.05480	2.0
81.03423	6.3
81.07056	1.2
83.01286	1.0
84.04503	2.3
84.08137	10.2
85.02907	100.0
85.06550	18.8
85.08456	1.5
86.09714	5.3
87.04466	2.0
88.03971	2.7
91.03970	5.9
91.05464	2.9
93.07040	1.8
96.04494	0.9
97.02897	23.2
97.03530	1.4
98.06100	1.0
98.09673	1.3
98.20778	0.9
98.96942	1.3
98.97584	19.9
99.04444	3.5
101.02349	1.4
101.95033	1.4
103.03975	1.2
104.35092	0.7
109.02886	5.7
109.10142	0.9
110.07190	1.7
110.97562	4.0
112.05102	5.4
112.07611	1.9
112.08678	0.9
115.03923	1.6
116.98627	4.6
119.01841	1.1
119.03485	0.9
120.04482	1.3
120.05264	1.0
120.08118	5.0
120.08836	0.9
120.10265	1.0
121.06506	2.5
121.08455	7.5
121.24068	0.9
123.08002	1.0
127.03922	23.3
128.98605	2.6
129.05453	0.8
129.10237	4.9
130.08617	1.5
134.99722	1.0
136.06178	13.9
136.07574	3.6
137.06012	1.2
137.07941	2.0
143.00168	1.6
145.04962	56.2
147.04396	1.3
150.07762	14.6
152.98549	0.9
156.03313	1.3
158.53928	1.2
158.99666	5.3
159.08469	1.0
161.04648	2.4
163.06027	18.3
167.54410	1.1
170.99675	1.5
177.00673	5.1
177.09404	0.8
180.08694	1.5
182.03537	0.9
186.00737	0.9
189.00734	2.3
191.03806	1.8
193.03180	1.2
199.11548	1.5
201.00671	1.7
206.11729	1.6
214.04044	0.8
219.01802	6.9
229.10732	8.1
237.02826	5.7
252.10216	1.0
252.12595	2.0
265.08878	1.0
282.01242	2.4
282.09421	4.1
282.16000	1.7
282.21988	1.5
298.06082	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19369	1.1
55.15660	1.1
56.96562	8.8
57.15788	1.1
62.59731	1.2
64.59566	1.1
71.50606	1.6
71.50973	1.2
71.95256	2.0
77.28517	1.2
84.08160	2.8
85.02904	2.2
85.07703	1.2
94.93014	4.1
98.97591	100.0
101.95042	3.4
110.97578	9.6
112.11083	1.3
112.89620	6.4
114.21899	1.3
114.89335	3.0
116.98627	33.2
128.98627	9.4
134.99680	7.4
136.06172	4.7
138.09172	7.1
139.09506	5.3
139.91475	18.9
140.00165	1.5
146.99698	3.1
150.00626	1.6
150.07756	87.3
152.28236	1.3
158.99673	24.7
167.18552	1.2
170.99699	6.0
177.00739	19.1
189.00716	6.1
198.11279	5.7
199.11607	9.0
201.00728	1.3
219.01784	2.9
236.00899	1.9
237.02798	3.8
255.04091	2.2
258.99777	19.1
259.02414	2.3
277.00851	23.3
282.01373	13.3
282.04852	34.5
282.11841	7.8
282.18796	6.2
288.84827	1.5
300.02405	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	282.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02371	0.4
65.03929	0.3
67.05509	0.2
69.07040	0.2
69.17966	0.3
69.18382	1.1
70.06586	0.6
72.08170	0.3
72.98473	0.3
73.56765	0.1
73.62753	0.1
80.05022	0.2
81.03413	0.5
81.07052	0.2
81.92170	0.1
84.08147	0.7
85.02926	0.2
86.09698	0.3
87.04462	0.1
90.03442	5.7
91.04235	0.5
92.05021	0.4
92.98669	0.1
93.05808	0.2
93.07041	0.2
98.21493	0.2
99.00010	2.9
107.10844	0.2
108.04471	0.4
110.06086	0.2
114.01094	0.4
116.30562	0.1
120.04598	0.1
120.08099	0.4
126.01073	100.0
128.02638	9.6
129.10226	0.3
134.09608	0.2
143.08585	0.2
144.02113	1.6
155.03712	4.5
166.31093	0.1
179.08548	0.2
190.07751	0.2
191.08566	3.2
191.92586	0.1
192.10344	0.2
192.55077	0.1
193.03207	0.2
208.08824	0.3
216.89201	0.1
218.07361	0.2
219.08044	2.3
220.08844	0.3
236.08418	0.5
238.18016	0.9
243.49371	0.1
251.10643	2.3
253.02908	0.5
264.52762	0.1
265.16211	0.2
282.05600	19.7
282.14700	2.1
282.20615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1902
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
50.38887	0.8
53.03933	1.3
53.07742	0.9
55.05485	3.5
57.07047	1.5
65.80705	0.8
67.05495	4.4
68.89016	0.8
69.03442	6.7
69.07071	4.4
70.06586	1.2
70.56254	2.7
71.04970	4.0
79.05504	7.7
81.03407	1.1
81.07059	6.1
83.04940	3.0
83.08585	2.1
83.90038	1.0
85.06511	0.9
91.05479	15.4
93.07053	7.2
93.91907	1.0
95.04932	1.3
95.08611	6.4
97.06493	1.2
103.05431	3.1
105.07040	42.1
105.10574	0.8
106.07376	8.3
107.04913	2.6
107.07984	0.8
107.08598	8.6
109.06512	2.0
109.10178	6.4
111.08052	2.1
115.05433	1.9
116.06219	1.5
117.03944	0.9
117.06966	4.0
119.04901	3.9
119.08591	27.1
120.85618	0.7
121.06511	4.5
121.10146	9.7
123.08017	2.5
123.11614	1.2
128.06236	8.8
129.07005	6.0
130.07732	1.3
131.04887	2.1
131.08592	13.2
133.06419	2.8
133.10143	19.5
134.07216	1.0
135.08072	4.4
135.11589	1.4
137.04086	0.7
137.09590	1.0
139.94086	0.9
141.06943	3.6
142.07774	5.9
143.08566	25.0
144.09337	1.5
145.06474	2.0
145.10126	7.3
146.07191	3.2
147.04352	2.3
147.08049	7.7
147.11615	4.0
149.09569	3.5
153.06911	1.2
154.07715	1.3
155.05952	1.3
155.08533	4.7
156.09380	9.6
157.10110	10.4
158.10858	1.7
159.08038	14.1
159.11684	6.4
161.09630	18.0
161.13123	2.0
165.06934	2.1
166.07748	1.2
167.08473	3.6
168.09261	1.7
169.10126	9.2
170.10828	2.1
171.07921	1.8
171.11707	14.3
173.09596	2.1
173.13194	2.5
174.10362	0.9
174.90041	1.4
175.11121	2.5
176.14372	1.0
178.07713	1.1
179.08490	2.6
180.09268	1.8
181.10120	6.7
182.10919	4.5
183.11719	7.5
184.12469	5.3
185.09572	2.7
185.13174	3.1
187.07458	3.4
187.11086	3.2
189.12746	10.0
191.08463	1.5
192.09398	4.1
193.10155	8.6
194.10843	2.9
195.07942	1.1
195.11702	6.6
196.12378	1.4
197.09604	2.1
197.13280	11.4
198.13895	0.9
199.11206	6.0
199.14853	4.2
201.12585	1.0
205.10175	1.1
206.10890	6.2
207.11679	13.1
208.12473	6.5
209.09567	1.1
209.13208	2.6
210.10300	1.8
211.11093	2.4
211.14827	5.8
213.12654	2.7
218.10909	1.0
219.11641	2.5
220.12379	3.0
221.13287	9.2
222.14005	1.3
223.11172	1.8
223.14847	11.2
224.11845	1.2
225.12733	7.5
233.13251	8.1
233.44829	1.1
234.13901	3.5
234.92038	2.3
235.14752	2.3
237.12479	1.0
237.16290	3.7
239.14195	3.4
239.17957	1.5
248.15630	7.0
248.26045	0.9
251.14133	2.0
253.19545	4.8
263.17987	23.2
281.11627	2.9
281.18832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.186
Annotation	(+)-Sophoranol N-oxide
Peak:m/z	Relative Intensity
51.30465	0.2
52.20749	0.2
53.03933	0.3
55.05517	0.6
56.05035	0.3
65.03934	0.2
67.05510	1.8
68.05033	7.0
68.05404	0.3
69.03429	0.6
69.07062	0.3
70.06595	43.8
71.05008	1.1
71.37489	0.3
72.08166	0.2
79.05489	1.3
80.05054	0.3
81.07057	5.8
81.07536	0.3
82.02951	0.3
83.06131	0.2
84.08137	0.4
86.09706	0.5
91.05503	0.4
91.27293	0.2
92.65931	0.2
93.07034	0.4
94.06577	0.6
95.06061	0.3
95.08609	0.3
96.04493	2.9
96.08155	0.7
97.02908	0.6
97.05276	0.6
98.06067	0.6
105.07073	0.2
106.06592	0.2
107.04987	0.2
107.08577	0.3
108.04496	0.3
108.08128	1.0
110.09686	0.5
114.05534	9.7
119.04968	0.2
120.08120	0.9
122.06013	0.3
122.09653	0.2
123.08299	0.2
123.09195	1.8
123.11699	0.2
126.05533	1.8
131.08524	0.3
132.06839	0.2
134.08371	0.2
135.09171	0.9
136.07610	0.2
137.10745	6.0
138.09148	0.7
138.11559	0.3
138.12753	0.4
140.14330	0.2
146.09647	0.4
147.09186	0.6
148.07536	0.2
148.11203	1.4
150.12807	0.7
151.08701	0.5
152.07082	0.7
153.10248	1.5
159.08066	0.3
165.10229	0.7
166.08640	4.4
166.11038	0.4
166.12247	0.8
168.13829	0.2
174.09074	0.2
176.10716	4.0
183.11313	0.3
194.11763	8.1
215.92616	0.2
232.15694	0.3
233.16504	0.2
235.18068	0.3
236.16446	0.4
245.16510	0.8
253.19176	1.0
263.17569	2.4
281.18600	100.0
282.18985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
55.05515	7.1
55.81775	1.3
56.05032	1.3
57.07059	3.7
65.03953	1.2
67.05508	10.6
69.03436	9.5
69.07072	9.0
69.97895	2.8
69.98283	4.5
70.06577	3.4
71.04980	7.0
75.68766	1.3
79.05495	15.3
80.05822	2.6
81.03442	1.7
81.07056	12.5
83.04977	3.4
83.08610	4.6
84.08153	2.9
85.06533	2.4
91.05479	14.8
92.83426	1.3
93.07046	12.2
95.04967	5.8
95.08610	11.4
97.06537	1.4
97.10189	2.1
98.11023	1.4
98.30237	1.4
98.58163	1.4
103.05468	5.1
104.05816	1.5
105.07033	100.0
106.07362	41.5
107.04961	4.4
107.08600	13.0
109.06533	2.4
109.10143	12.6
109.25149	1.3
111.08080	9.0
111.11617	1.4
114.11493	1.3
115.05476	2.3
117.07010	5.3
119.04965	2.6
119.08578	19.7
120.49213	1.5
121.06519	4.0
121.10147	12.0
123.08074	5.9
125.09645	4.9
128.06235	11.3
129.06993	5.2
130.07770	2.4
131.08560	9.9
131.38457	1.4
132.24352	1.3
133.06459	2.9
133.10133	29.7
135.08067	2.9
137.09653	2.0
138.09161	2.9
141.06990	3.5
142.07796	6.5
143.08551	27.4
144.09380	2.9
145.06494	2.3
145.10144	11.6
146.07407	1.5
147.04424	4.1
147.08060	4.6
147.11745	4.5
149.09753	1.5
151.02826	2.5
153.07014	1.9
154.07762	1.6
155.08559	9.9
156.09317	14.1
157.10150	18.0
158.10956	1.4
159.08096	6.7
159.11720	12.7
161.09618	14.2
161.13252	2.2
165.07034	3.5
166.07800	1.9
167.08612	5.9
168.09360	3.8
169.10123	21.0
170.10915	3.1
171.08035	11.0
171.11693	20.6
172.08856	2.1
173.09628	7.8
173.13295	5.6
175.11223	1.5
176.14322	2.2
177.14703	4.1
179.08554	6.1
180.09390	2.4
181.10127	9.3
182.10902	9.9
183.11699	14.5
184.12540	1.7
185.09605	1.6
185.13196	7.6
187.07594	3.8
187.11214	4.2
189.12747	10.0
191.08611	1.6
192.09302	7.5
193.10115	13.8
194.10901	5.3
195.08014	2.5
195.11667	14.7
196.12416	2.6
197.09627	4.7
197.13269	35.6
198.11235	2.6
199.11186	2.8
199.14847	3.7
201.12804	2.3
206.10965	8.8
207.11694	25.8
207.13527	2.4
208.12489	7.7
209.13348	8.0
210.10426	3.9
210.13977	1.9
211.11211	7.3
211.14795	13.0
213.12816	3.0
218.10809	1.7
219.11699	2.6
220.12512	4.5
221.13281	14.2
222.14059	2.2
223.14812	18.9
225.12746	21.4
225.16216	1.7
230.43715	1.5
233.13280	10.3
234.13997	3.0
235.14891	2.3
237.16441	5.7
238.13686	1.4
239.14345	4.3
239.18089	2.9
248.15573	8.8
251.18034	2.1
253.19513	12.9
263.17987	30.2
263.20593	2.5
281.08704	1.5
281.11993	4.2
281.18936	88.1
281.21158	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	281.1861
Annotation	(+)-Sophoranol N-oxide
Peak:m/z	Relative Intensity
52.26355	0.2
53.03952	0.4
54.91768	0.2
55.01886	0.3
55.05516	0.8
56.05028	0.8
56.14396	0.2
67.05508	1.4
68.05032	7.9
69.03438	0.8
69.07063	0.3
70.06597	54.5
70.17426	0.8
70.96436	0.3
71.05005	1.5
72.08163	0.6
79.05504	2.6
80.05015	0.6
81.07065	7.3
82.02937	0.6
83.04993	0.4
84.04510	0.4
84.08154	0.8
86.09713	0.8
87.05547	0.3
91.05484	0.7
93.07057	0.3
93.40527	0.2
94.06582	1.6
95.04964	0.2
96.04501	3.3
96.08137	1.0
97.02890	0.5
97.05243	0.3
98.06068	1.1
98.09694	0.5
105.03394	0.6
105.07027	0.3
106.06593	0.6
108.04462	0.3
108.08143	1.4
110.09686	0.5
114.05537	8.5
120.08105	1.9
122.06066	0.4
123.09221	0.7
125.99413	0.3
126.05547	2.2
128.14618	0.2
129.10258	0.3
131.08595	0.7
132.08101	0.4
134.05975	0.2
134.08447	0.4
135.09201	0.8
136.07655	0.3
137.10738	2.9
138.09155	0.8
138.12798	0.6
146.09642	0.8
147.04514	0.4
147.06891	0.4
147.09155	0.5
148.07594	0.3
148.11201	3.3
150.12828	0.9
152.07085	1.1
153.10242	0.9
159.08035	0.5
165.10295	0.5
166.08669	3.1
168.13885	0.6
176.10718	7.5
183.11308	0.8
194.11774	11.3
221.21854	0.3
223.27345	0.3
232.15729	0.3
236.16431	0.6
245.16570	2.1
249.15993	0.4
253.19194	0.3
263.17572	4.6
279.34714	0.3
281.18607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03955	7.7
55.01860	4.2
55.05517	34.3
57.03442	25.8
57.07058	1.8
59.04990	1.9
65.03934	4.7
67.05511	87.7
69.03417	3.8
69.06728	1.4
69.07073	17.5
69.87719	3.3
70.06589	1.9
71.05011	4.7
72.08167	2.0
73.06549	2.8
77.03941	1.2
79.05500	100.0
81.03431	14.9
81.07063	62.9
83.04493	1.9
83.04988	38.4
83.08622	10.6
84.08120	2.6
85.02898	2.6
85.06532	3.7
87.08127	1.0
91.04900	2.1
91.05489	73.3
93.07049	79.6
95.04974	26.6
95.08613	42.2
97.02852	3.1
97.06537	5.9
97.10172	5.1
98.97596	1.6
99.04461	1.5
99.08103	1.8
100.65774	1.0
103.05482	1.4
105.04533	1.8
105.07040	54.6
107.04971	11.8
107.08603	27.7
108.08115	2.3
109.06537	8.8
109.10165	12.1
110.07127	1.2
111.08047	3.4
113.05994	1.0
115.05428	1.9
116.40931	0.9
117.07034	10.5
119.08587	30.9
120.08104	1.0
120.33115	0.9
121.06523	5.2
121.10134	6.2
123.08075	9.7
123.11681	2.9
125.09647	1.6
127.07539	2.6
128.06209	3.4
129.07013	21.0
131.08569	4.3
133.06526	3.0
133.10143	14.8
135.08049	2.9
135.11700	2.5
137.09634	1.9
139.07494	1.9
141.06996	1.2
141.09142	1.2
143.08569	12.0
145.10121	13.6
147.04497	1.1
147.08011	4.6
147.11699	41.3
149.02362	1.2
153.09097	1.3
156.09306	1.2
157.10033	1.5
159.11650	1.5
161.09634	6.9
161.13261	18.0
163.11203	1.8
171.10274	2.0
171.11708	36.2
177.12808	1.4
179.14217	1.3
185.13280	1.3
187.07530	2.4
189.12769	14.2
198.11296	1.6
207.13821	20.5
263.16312	1.6
281.17477	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.7
55.01849	6.2
55.05512	34.3
56.96562	2.6
57.03439	26.1
57.07058	5.1
60.04501	2.2
61.49941	1.6
65.03918	5.5
67.05508	81.7
68.91084	1.6
69.03397	4.6
69.07070	21.2
70.06569	6.5
71.04965	6.3
71.08610	1.9
71.51722	2.0
72.08128	3.8
72.60327	2.0
72.75155	1.7
73.06536	2.2
78.26807	1.4
79.05498	100.0
81.03426	14.2
81.07059	77.6
83.04514	2.1
83.04987	38.5
83.08617	13.3
84.04471	1.6
84.08138	8.4
85.02871	4.6
85.06522	5.1
86.09698	2.5
91.05486	73.7
93.07048	77.0
94.93463	1.5
95.04970	31.6
95.08608	45.4
96.09022	1.8
97.02890	3.8
97.06544	9.2
97.10136	7.3
98.97561	5.4
103.05462	3.6
105.03355	2.7
105.04517	3.3
105.07039	60.4
107.04973	14.9
107.08592	30.6
108.08100	2.0
108.59836	1.7
109.06499	12.2
109.10165	18.7
111.08052	3.0
117.07015	10.6
119.04887	3.3
119.08587	31.6
121.06464	6.8
121.10137	10.6
123.08064	10.1
123.11676	5.3
125.05961	2.5
127.07516	3.6
128.06180	3.4
129.06993	20.8
129.10202	3.4
131.08525	6.2
133.06432	5.6
133.10141	17.4
135.11684	5.7
137.09540	2.5
138.09084	6.4
139.11119	2.5
143.08540	12.9
145.06367	2.3
145.10138	14.3
147.04350	7.0
147.08023	4.8
147.11694	48.2
149.02223	2.1
149.09605	2.1
149.13266	2.9
150.02597	5.9
151.02826	3.5
151.07523	3.0
157.10042	1.8
159.08020	3.4
159.11623	4.0
161.05957	1.8
161.09621	10.1
161.12250	1.6
161.13271	18.8
163.11162	2.3
171.10295	2.5
171.11684	35.3
171.68445	1.8
175.07446	2.2
175.11118	2.8
175.14661	1.9
179.14273	3.7
185.64934	1.8
187.07550	4.3
189.12746	14.9
198.11229	9.4
203.10461	2.5
207.13782	20.4
209.13173	1.8
217.15999	1.9
221.11664	3.0
221.18698	1.5
235.16879	2.3
245.15341	4.1
263.16330	5.4
272.12866	1.6
281.08621	1.6
281.11685	4.9
281.17386	72.9
281.19928	8.9
281.24918	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	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03949	6.7
55.01858	4.3
55.05516	33.2
57.03445	24.9
57.07070	2.7
59.05006	1.1
65.03928	4.5
67.05510	78.0
69.03417	2.7
69.06741	1.7
69.07073	20.9
70.06567	2.4
70.70115	1.8
70.70492	1.9
71.04981	4.0
71.08607	1.7
72.08131	1.8
73.06572	2.3
77.03913	1.4
79.05497	100.0
81.03420	16.0
81.07061	64.8
83.04499	2.0
83.04984	34.0
83.08624	9.9
84.08138	2.5
85.02898	1.9
85.06541	5.6
87.04461	1.5
91.04901	2.3
91.05486	64.4
93.07050	74.6
95.04382	1.5
95.04975	28.4
95.08612	41.7
97.02864	3.2
97.06528	7.1
97.10197	5.7
98.21517	1.4
98.97563	1.0
99.04408	1.3
99.08124	1.6
99.86514	1.1
103.05455	3.1
105.03421	1.0
105.04507	2.8
105.07042	54.3
107.04956	11.4
107.08601	28.1
108.08115	2.6
109.06527	10.2
109.10159	11.8
111.08065	2.8
113.09621	1.7
115.05482	1.5
117.07027	9.3
119.08588	34.0
121.06490	4.7
121.10181	8.3
123.08081	8.4
123.11693	2.2
126.00533	1.0
127.07527	2.3
128.06219	2.9
129.07010	20.0
130.02385	1.1
130.07739	1.4
131.08601	4.9
133.06490	3.1
133.10133	15.8
135.08052	4.1
135.11681	3.3
137.13269	1.2
138.09117	3.0
139.07460	1.2
139.11182	1.4
143.08565	11.0
145.10120	11.9
147.04427	1.4
147.08049	3.8
147.10509	1.9
147.11685	39.5
150.02626	1.2
151.02782	1.5
156.09404	1.8
159.11765	1.8
161.09613	6.6
161.13283	17.8
163.11212	1.4
171.10292	2.3
171.11690	34.0
177.12857	1.2
187.07617	1.3
189.12741	12.4
190.05023	1.3
198.11252	3.1
207.13823	19.9
221.11736	1.2
231.97174	1.1
281.17459	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
53.03940	0.4
57.07078	0.2
64.96010	0.1
67.05476	0.1
70.03628	0.4
70.06591	0.3
71.04989	0.2
74.62302	0.1
77.03945	0.3
79.05492	6.9
81.07072	0.1
84.08150	0.1
93.07058	0.1
95.04971	0.8
95.08630	0.1
98.20875	0.1
103.05466	5.3
105.07032	100.0
106.07354	0.2
118.06541	1.0
132.08096	0.4
133.08868	0.2
146.09642	0.4
149.02373	0.9
150.02670	0.7
168.13866	0.4
176.14342	5.6
183.55843	0.1
189.15106	0.1
208.25218	0.1
236.14371	0.4
237.15099	0.2
250.15958	0.3
280.20593	97.9
281.20834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1134
Annotation	Asp-Phe
Peak:m/z	Relative Intensity
52.87280	0.5
53.03922	0.5
55.01865	0.5
55.05522	2.0
56.05025	1.4
56.96561	2.0
57.03439	0.7
57.07064	0.5
59.04998	0.4
60.04527	2.3
60.05620	0.4
61.02919	0.7
66.49196	0.5
67.05513	0.8
69.03435	2.7
69.07081	2.0
70.02957	6.4
70.06598	6.7
71.05013	0.5
71.15908	0.6
72.08156	5.0
73.02900	0.8
73.04755	0.5
73.06554	3.2
74.02457	0.6
74.06078	0.8
77.03955	0.4
79.05508	1.1
81.07079	0.9
83.08627	0.9
84.04505	2.8
84.08154	8.8
84.96045	0.6
85.02910	6.1
86.09707	5.0
87.04432	0.5
88.03999	29.1
91.03960	0.5
91.05487	16.0
93.07066	1.5
94.78294	0.4
95.05010	0.5
95.08624	0.7
97.02905	1.8
98.02411	1.1
98.97595	3.7
102.05552	1.1
103.05464	7.3
105.07056	0.9
107.04971	3.7
109.02903	0.5
110.07177	1.5
110.97575	1.5
114.05511	0.6
115.08677	0.7
116.98590	0.8
119.01813	0.6
119.04939	1.2
119.07324	0.5
119.08604	0.5
120.08115	100.0
121.06549	0.6
123.07944	0.9
127.03917	1.5
128.98604	1.4
129.10236	3.1
130.06535	7.0
130.08641	0.6
131.04944	4.1
132.08131	0.5
132.10187	0.4
135.59178	0.4
136.06203	1.9
136.07562	2.2
138.09181	2.5
144.08101	1.9
145.04959	2.4
145.06488	0.9
147.04428	1.8
147.05452	0.5
147.09196	1.2
147.11339	0.5
148.04753	0.8
149.02350	0.6
149.06012	2.2
150.02721	0.8
150.07683	0.7
151.02832	1.2
152.02316	0.5
152.07072	0.8
154.06534	0.7
157.06482	1.6
158.99712	1.1
161.01353	0.5
161.09579	0.5
162.04124	1.3
166.08655	45.5
170.99744	0.8
172.07590	4.6
175.08687	14.0
176.07069	0.7
177.00800	0.7
182.03401	0.9
182.06021	3.5
189.10249	1.2
190.08698	1.7
191.03951	0.5
192.99937	0.4
195.53856	0.5
198.11256	4.5
199.43616	0.4
199.54152	0.8
200.07091	16.0
201.00653	0.6
203.07980	0.5
208.54768	1.4
209.21506	0.4
217.09882	2.9
218.08200	1.3
219.01825	1.5
221.09239	10.0
221.11406	0.8
228.06615	1.1
229.55345	0.5
231.56798	1.0
235.10799	19.0
237.02850	1.3
245.09198	2.9
246.07634	14.4
246.10052	0.8
263.10300	5.1
263.13150	0.5
263.14417	0.9
280.56876	0.7
281.11392	10.5
281.15067	2.0
281.18500	5.6
297.70889	0.5
299.06354	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1294
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
51.14549	1.2
56.05018	3.1
56.96558	2.5
60.04539	1.6
61.01148	1.5
61.02912	1.3
69.03428	3.2
70.02955	15.8
70.06581	5.6
71.22665	1.8
72.08147	2.6
79.05482	4.5
80.05007	2.0
81.03407	1.2
84.04499	2.8
84.08143	10.7
84.08876	1.2
85.02887	5.7
86.03242	2.4
86.09710	8.8
87.05596	56.7
87.06129	3.0
87.65611	1.4
88.03992	2.5
91.05482	90.3
97.02898	3.1
98.02406	3.3
98.97573	3.8
103.05462	29.6
107.04969	9.9
110.97571	1.8
120.08109	79.9
127.03884	1.7
129.07024	5.0
129.10258	4.1
130.06541	11.8
131.04950	17.2
144.08090	6.0
145.04994	2.0
145.06464	3.2
146.05179	2.1
147.09178	7.6
148.51561	1.2
149.02347	5.7
149.05966	6.5
150.02689	5.6
152.02289	1.2
154.01775	1.6
154.06479	5.9
157.06488	12.2
158.53865	3.2
159.04068	2.0
159.54509	1.8
163.06075	1.9
166.08650	31.1
166.76970	1.3
167.54439	1.7
172.07581	24.9
175.08682	70.7
176.77496	1.2
182.03423	3.1
182.06013	25.7
182.53522	3.2
189.10236	3.1
191.03870	3.8
197.12897	1.8
200.07072	100.0
203.08194	4.4
217.09688	6.5
219.01649	2.0
221.09218	57.4
221.11406	2.9
228.06563	5.4
230.55991	2.5
231.06111	3.8
231.56760	3.6
231.95448	1.4
234.12434	17.4
235.10802	1.5
237.02611	1.5
245.09189	12.7
246.07626	83.3
248.11328	2.3
262.11887	5.3
263.10294	43.6
279.58948	1.5
280.09692	2.5
280.12915	12.4
280.19882	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	280.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01869	0.7
55.05518	1.0
56.05043	1.6
57.07072	0.8
58.07405	0.3
60.04531	1.0
60.05639	0.5
63.78802	0.2
65.03945	0.8
67.05524	0.9
69.03429	1.5
69.07085	1.7
69.45100	0.6
69.45513	0.8
70.06602	7.1
71.06937	0.4
72.08162	3.4
74.05804	0.1
74.06097	1.7
79.05487	0.8
79.56224	0.2
81.07049	0.6
83.06097	0.3
83.08620	0.3
84.04510	3.1
84.08153	10.5
85.02895	0.5
85.08472	0.3
86.09715	12.8
87.04453	0.3
87.05637	0.3
87.10035	0.6
88.03985	0.3
91.05489	8.5
93.07039	0.5
95.08598	0.4
96.04435	0.2
97.02892	0.2
97.06531	0.2
98.06068	3.0
98.09701	0.8
98.97593	1.6
101.07125	0.6
101.10792	0.3
102.05561	1.0
102.06113	0.2
103.05493	0.8
104.07154	0.3
105.07045	0.6
106.05032	0.2
107.04975	0.3
107.08641	0.5
108.08147	0.3
109.10175	0.3
110.06026	0.2
110.07166	1.2
112.07585	0.2
112.08746	0.7
113.07199	0.2
115.08710	0.6
116.07116	3.4
116.98638	0.4
119.04956	24.2
119.08582	0.4
120.05304	0.2
120.08118	3.7
120.08951	0.2
121.02817	0.2
121.06512	0.7
121.08469	0.3
122.06039	0.2
123.04440	0.6
123.08121	0.2
124.07645	0.2
129.06885	0.2
129.10251	4.8
130.05055	0.9
130.06554	0.3
130.08673	0.5
130.10657	0.3
132.10187	0.4
133.08876	0.8
134.05980	0.2
134.08139	2.5
134.09695	0.2
136.07620	0.6
140.14388	0.4
141.10219	0.3
142.12317	0.3
143.00186	0.4
143.08591	0.2
143.11826	1.4
144.07999	0.2
145.10156	0.2
146.06024	0.5
147.04422	100.0
147.11292	0.5
148.04781	1.4
148.05946	0.4
148.07585	0.2
149.02362	3.9
150.02689	3.2
150.05583	0.2
156.07710	0.4
158.09326	0.5
158.15422	0.7
160.07623	0.3
161.01286	0.3
167.05771	0.2
171.11360	0.3
173.13019	0.6
174.09138	0.3
175.07475	0.3
175.11971	0.7
177.11116	0.5
182.99629	0.2
187.14424	2.3
188.06978	0.2
190.12277	3.0
191.05762	0.3
191.14285	0.3
197.12859	0.3
197.16551	0.3
200.14287	0.2
206.08322	0.2
214.08673	0.3
215.11682	0.2
215.22896	0.2
218.08186	0.3
219.01781	0.2
230.08138	0.5
232.06247	0.4
239.15083	0.2
248.09152	0.5
248.11441	0.3
249.02895	0.7
250.06963	0.2
253.13121	0.2
259.07224	0.2
262.07217	2.0
262.10815	9.7
267.03964	0.3
280.05096	0.4
280.08218	6.2
280.11505	1.0
280.15170	1.7
280.19580	0.4
291.03934	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03938	1.1
55.01888	1.0
55.05268	0.9
55.05515	10.6
57.03429	1.0
57.07075	10.9
65.03945	3.7
67.05508	99.4
69.03419	0.7
69.07072	10.5
71.04987	1.2
71.08643	0.5
71.27502	0.6
74.11100	0.4
78.90527	0.4
79.05495	13.4
81.07059	100.0
83.04989	1.4
83.08623	6.9
85.06538	1.7
85.10175	1.2
91.05486	4.9
91.56772	0.4
93.07048	14.5
95.04984	1.1
95.08610	84.7
97.06528	1.8
97.10165	3.9
101.06017	0.5
103.70641	0.4
105.07024	3.8
107.08591	9.1
109.06535	0.8
109.10159	49.5
111.08100	1.0
111.11727	1.1
113.09657	1.9
117.07002	1.6
119.08581	3.9
121.02885	3.7
121.03684	0.6
121.06522	0.7
121.09319	0.8
121.10143	9.0
123.08068	1.6
123.11710	24.4
125.09647	0.7
127.07556	0.9
131.08580	3.8
133.10132	4.7
135.08041	1.2
135.11699	5.9
137.09615	1.5
137.13257	9.3
145.04979	0.5
145.10118	3.2
147.11714	2.8
149.02347	70.4
149.09633	2.4
149.13275	3.2
151.11171	1.6
151.14827	3.6
153.09122	0.6
159.11671	3.4
161.13232	2.5
163.11208	1.6
163.14839	1.7
165.12762	1.9
165.16380	1.0
166.51299	0.5
167.03394	2.0
167.10646	0.7
169.12267	0.7
173.13264	3.7
175.14793	0.4
177.12741	1.7
177.16399	0.7
179.14290	1.5
181.12242	2.2
187.14815	3.3
191.14326	1.4
195.13756	2.7
201.16382	1.0
205.08620	0.8
205.15884	1.7
209.15399	3.1
219.17511	0.6
219.21078	1.1
220.12689	0.5
223.16917	3.7
237.18521	1.2
243.21077	5.4
261.22128	6.1
279.09238	1.6
279.23190	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.2
56.05033	0.4
57.05818	0.4
57.07084	1.0
58.06606	0.3
62.44311	0.1
67.05501	0.3
68.82816	0.1
69.03432	0.2
69.07074	12.2
69.93633	0.7
70.06597	4.1
72.08147	0.4
79.05469	0.3
81.07064	0.3
84.04504	0.2
84.08156	0.9
86.09712	100.0
87.10045	0.3
91.05499	0.3
93.07046	0.3
95.08637	0.2
98.97592	0.3
103.05482	0.6
110.07166	0.2
119.04978	0.1
120.08115	13.7
121.02898	0.4
121.06525	0.2
129.10262	0.3
130.06602	0.1
131.04860	0.2
132.10191	0.2
136.07610	0.3
141.31245	0.1
147.04390	0.7
149.02353	6.8
159.09158	0.3
164.10712	0.3
166.08658	5.3
167.03409	0.2
181.09724	0.2
233.16562	0.9
257.28641	0.1
261.15952	0.5
269.38245	0.2
279.10284	0.2
279.13452	0.6
279.17029	5.7
279.20154	0.3
291.03665	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1704
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
57.07086	0.6
63.25663	0.4
69.07063	0.7
69.21932	4.1
69.22253	0.5
70.06596	1.1
70.07290	0.5
84.08131	0.9
86.09708	100.0
93.07071	0.6
103.05481	2.2
120.08109	67.3
131.04851	0.4
132.10239	1.0
149.02356	5.5
166.08644	9.9
233.16525	1.7
261.15762	0.4
279.14154	0.7
279.17029	8.8
296.68796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07761	0.3
55.01849	0.3
55.05508	0.7
56.96556	0.5
57.07080	5.5
63.71611	0.3
63.81699	0.2
65.03937	0.4
67.05505	1.6
69.03420	0.4
69.07072	1.7
70.06572	0.4
70.70998	0.4
70.71305	0.5
71.08629	0.3
79.05486	0.8
81.03416	0.3
81.07074	2.2
82.86639	0.3
83.08609	0.5
84.08147	0.4
85.02893	0.6
86.09689	0.9
91.05477	0.7
93.07030	0.9
95.08617	1.7
97.02892	0.3
98.97569	1.4
105.07031	0.6
107.08582	0.8
109.03387	0.3
109.10146	1.3
116.98612	0.4
120.08098	1.7
121.02861	1.5
121.10129	0.7
123.11699	0.6
131.08591	0.4
133.10144	0.5
133.90578	0.3
137.13243	0.4
145.04994	0.4
149.02351	36.3
149.13196	0.5
158.99646	0.5
167.03419	0.8
205.08772	0.4
210.21422	0.3
229.35770	0.3
270.13000	0.7
279.19324	100.0
280.19547	0.5
285.10233	0.4
299.03830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38106	2.2
53.03943	3.7
55.92042	2.1
56.30024	2.3
57.03436	6.0
57.07060	5.0
60.23684	2.2
61.02933	10.8
65.03843	2.3
69.03431	16.5
69.46961	5.0
69.47360	11.6
70.06599	2.9
71.04977	3.6
73.02908	2.1
73.06551	7.6
81.03418	6.8
81.07098	2.9
82.57810	2.0
84.08127	2.0
85.02911	100.0
87.04465	3.1
90.69991	2.2
91.03957	5.8
97.02905	24.3
99.04427	3.7
109.02873	7.3
115.03934	2.9
125.74677	2.0
127.03931	23.4
138.98418	2.0
140.16553	2.4
143.96179	2.1
145.04967	57.1
147.04463	7.3
149.02341	33.9
156.30066	2.0
163.06062	17.0
180.08685	8.1
262.12885	3.7
279.15652	4.6
292.27518	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	279.1703
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
51.02385	0.1
53.03933	0.1
53.05727	0.1
55.01866	0.2
55.05519	0.2
57.07079	1.1
67.05498	0.2
69.03419	0.4
69.07076	0.7
70.06587	1.5
71.01353	0.2
71.40814	0.2
72.08161	0.7
74.02440	0.2
74.21343	0.1
77.03899	0.2
79.05479	0.3
81.07053	0.2
84.04491	0.1
84.08147	0.6
85.02906	0.3
86.09708	9.8
87.04470	0.1
91.05473	1.3
93.07046	1.6
95.04951	0.1
95.08600	0.2
97.02924	0.2
103.05465	5.2
103.06155	0.3
104.11954	0.1
105.07015	0.2
107.04942	0.1
110.07175	0.3
115.03869	0.1
116.07037	0.1
118.06618	0.1
119.04952	1.8
119.07330	0.1
120.08107	100.0
121.02855	0.3
121.06509	0.1
121.08466	0.3
123.04459	0.1
129.10208	0.6
132.10214	2.9
134.05983	0.2
136.07578	0.2
145.10114	0.1
147.04413	6.5
149.02339	7.0
167.03358	0.2
176.10747	0.4
211.18890	0.1
233.16502	3.0
233.18828	0.1
261.15768	0.1
262.10999	0.2
262.14545	0.1
269.76126	0.1
279.17032	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	279.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01870	2.3
55.05516	2.1
56.05041	39.6
56.96560	2.1
57.03429	4.8
57.07079	16.7
61.02929	8.0
62.79417	1.6
64.78506	1.2
65.03940	1.9
66.47199	1.3
67.05499	3.8
69.03432	15.6
69.07063	2.4
70.06599	16.3
71.04998	3.0
71.08623	3.7
71.35320	3.5
72.08147	4.5
73.02909	3.8
73.04027	1.5
73.53645	1.3
74.05664	2.7
74.06083	46.2
79.05499	7.9
80.05006	2.0
81.03406	5.1
81.07066	1.6
81.45691	1.3
83.06074	1.8
84.04505	17.2
84.08157	13.8
85.02911	91.1
85.04000	8.1
85.51636	1.3
86.09713	16.0
87.04472	2.8
88.03971	2.9
91.03959	6.2
91.05492	4.2
95.04948	1.5
95.08638	2.2
96.04515	1.8
96.08148	1.6
96.49960	1.3
97.02898	21.1
98.06059	1.6
98.97594	8.6
99.04455	3.3
100.07610	5.1
107.04918	2.1
109.02888	6.6
110.07162	5.3
113.10033	2.1
113.10777	22.8
116.07092	7.8
116.98619	2.2
119.01797	1.8
119.04940	2.9
121.02859	4.2
124.07584	2.5
124.11237	3.7
124.41888	1.3
127.03918	21.3
129.10229	4.1
130.05090	1.6
132.10286	1.5
136.07578	9.9
141.10243	37.4
142.08665	2.7
144.17827	1.3
145.04970	52.5
147.04430	3.3
149.02351	100.0
152.10681	2.9
158.53854	3.7
158.99680	3.1
160.07579	3.1
163.06015	13.3
167.03407	5.4
167.54437	1.6
169.13382	25.7
169.19325	1.3
170.11891	1.6
177.00769	2.5
182.03333	3.0
182.05267	2.0
187.10759	11.7
191.03992	2.1
193.92296	1.3
197.12857	3.1
198.11249	1.5
215.13922	70.4
218.10255	1.8
219.01912	1.6
227.56238	1.5
230.07419	2.5
230.56000	5.0
233.13197	19.0
243.74136	1.4
250.10796	10.6
261.12564	8.8
262.10562	2.4
262.12909	6.4
270.03738	1.5
279.08755	2.6
279.13608	31.4
279.16223	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	278.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.9
56.05035	1.6
59.04990	1.0
60.04528	1.0
67.05507	6.0
68.05038	1.1
69.03431	3.0
69.07070	4.1
69.79523	4.3
70.06592	7.0
71.04989	2.2
72.08170	5.3
74.06073	1.0
79.05484	1.1
80.05025	2.6
81.07057	1.8
83.01349	2.7
83.04986	1.3
83.06114	0.9
84.04509	3.6
84.08147	15.9
85.06522	2.0
86.06043	1.2
86.09706	11.4
91.05485	4.2
93.07027	1.1
94.06573	22.8
94.59196	0.8
95.04974	28.7
95.07337	2.7
95.08596	7.4
96.08125	2.8
97.06522	2.3
98.06069	3.9
99.04478	1.9
101.06087	1.0
102.05518	1.5
105.07066	1.6
107.08588	1.3
109.06547	1.3
110.06049	2.0
110.07155	4.9
110.09623	1.1
111.04527	1.1
112.07604	13.7
112.08752	1.1
113.06029	2.7
115.08688	0.9
116.07104	1.8
119.04942	10.9
120.08135	2.1
121.06499	2.5
122.06042	7.8
122.07176	1.4
122.09666	19.2
123.04413	5.6
123.08073	14.0
127.07554	5.0
129.10246	2.5
132.06641	1.1
132.10104	1.0
136.06209	1.0
136.07581	1.3
138.09152	1.4
139.07562	2.9
140.07066	100.0
141.05473	13.2
147.04417	50.9
149.02373	2.1
150.09157	4.2
151.07562	8.4
154.08646	3.8
155.07028	19.2
158.08136	12.5
168.10219	4.1
169.08633	2.2
172.09706	5.6
173.08118	3.3
178.08656	1.6
179.07060	1.7
182.11789	2.8
183.10214	3.8
190.10756	1.4
195.08798	1.3
196.09685	14.2
197.08147	2.9
210.11261	8.2
211.09660	31.9
212.31613	0.8
214.10822	3.3
228.12306	16.0
232.09691	1.1
232.13383	1.1
242.13887	7.1
246.13390	22.1
257.27878	0.8
258.19705	0.8
260.12891	1.5
260.14966	34.1
278.10727	1.6
278.16058	47.0
285.93283	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03946	4.3
55.01874	2.6
55.05511	15.9
57.03432	2.4
57.07067	3.8
65.03937	1.4
67.05507	39.6
69.03425	0.9
69.07070	15.8
69.42326	4.8
71.04997	2.5
71.08633	26.6
73.06547	0.9
77.03931	1.0
79.05495	55.6
81.03429	6.5
81.07057	51.1
83.04981	6.1
83.08621	10.3
85.06544	2.7
91.04900	1.1
91.05483	28.9
93.07047	85.7
95.04973	9.9
95.08609	30.9
97.06538	5.5
97.10161	3.8
99.08089	18.7
105.04523	1.2
105.07032	17.6
106.64026	0.7
107.04984	3.6
107.08598	49.0
109.06540	3.7
109.10159	10.8
111.04488	0.7
111.08105	2.4
113.09671	0.9
117.06326	0.6
117.07005	3.8
119.08580	14.8
121.06513	1.8
121.10145	44.3
123.08078	2.6
123.11678	1.7
125.09618	1.4
129.06995	2.5
131.08557	4.6
133.06508	0.8
133.10123	9.6
135.08055	1.7
135.11694	46.7
137.09645	3.3
137.13257	1.1
139.11183	1.5
141.09103	2.1
143.08553	2.3
145.10110	5.6
147.08018	0.9
147.11716	6.2
149.09642	2.0
149.13255	15.6
151.11174	10.0
153.12753	1.7
157.10133	1.8
159.11699	3.6
161.09592	0.8
161.13260	8.2
163.11205	4.1
163.14793	4.1
165.12735	1.1
167.10699	2.5
167.14346	0.7
171.11688	2.4
173.13301	1.5
175.11214	0.9
175.14783	2.6
177.12726	3.0
177.88118	0.6
179.14313	41.0
181.12335	0.8
185.13229	3.2
187.14806	1.1
189.12752	2.5
195.13828	2.5
199.14815	1.8
203.14346	1.1
205.15887	0.8
207.13907	1.8
221.15323	4.7
231.17526	0.9
231.21112	1.0
235.17039	4.5
241.19501	2.7
259.20578	7.3
277.21628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
50.80247	1.0
53.03947	5.0
55.05514	16.1
57.07067	2.9
57.96900	1.0
59.54063	0.9
65.03933	1.4
67.05507	30.1
69.03449	1.3
69.07071	13.8
69.39868	4.6
69.40275	2.1
71.04998	2.5
73.06529	1.1
73.07708	0.9
77.03903	1.1
79.05496	73.4
81.06591	2.1
81.07056	33.7
81.12697	0.9
83.04962	1.2
83.08626	7.3
85.06535	3.0
91.05485	29.6
93.07046	100.0
95.04966	3.5
95.08608	24.6
97.06528	2.2
97.10176	4.8
105.04457	1.8
105.07037	13.5
107.08598	50.4
109.06505	1.3
109.10155	11.9
117.07022	4.3
119.06079	1.0
119.08569	10.4
121.10147	44.1
123.08078	1.5
123.11674	2.8
125.09635	1.7
129.06972	1.2
131.08557	3.7
133.10136	10.1
135.11696	51.0
143.08528	2.1
145.10153	2.9
147.11716	8.0
149.13274	22.0
156.07321	1.0
157.10147	1.6
159.11729	3.2
161.13274	6.4
161.86287	1.3
163.14845	5.9
167.10583	1.5
171.11649	2.9
173.13292	2.6
175.14844	2.7
177.12813	1.3
179.38654	1.0
185.13356	2.4
195.13846	1.9
199.14856	1.9
213.16324	1.2
221.15363	3.0
231.17535	1.4
235.16948	4.3
241.19431	2.8
259.20605	3.4
277.21640	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
52.45076	0.9
53.03949	5.0
53.04147	0.8
53.75251	1.0
55.01873	1.2
55.05512	18.1
57.07066	3.4
58.22662	0.9
58.39380	0.9
59.26403	0.8
62.99702	0.9
67.05509	34.8
69.07069	15.0
70.76229	1.4
70.76574	2.0
71.04974	2.2
77.03917	2.3
79.05497	70.2
81.07059	34.7
83.04973	0.9
83.08627	6.4
85.06558	1.3
91.05484	26.1
93.07047	100.0
95.04948	4.4
95.08068	1.6
95.08614	21.6
97.06514	2.0
97.10146	4.4
102.28640	0.8
104.10759	0.9
105.04508	2.1
105.07026	13.5
107.08601	52.3
108.92175	0.9
109.06500	1.4
109.10156	14.9
111.08064	1.1
117.07024	3.2
117.20653	0.9
119.08587	11.0
121.10148	44.3
123.08064	1.1
123.11696	3.9
129.07028	1.4
131.08560	3.4
133.10132	13.1
135.11699	63.7
137.09642	1.5
143.08577	1.4
145.10107	3.5
147.11679	8.1
149.09656	1.9
149.13261	24.2
157.10173	1.6
159.11700	4.7
161.13251	4.1
163.09972	1.3
163.11214	1.5
163.14813	6.8
171.11729	2.2
173.13203	2.1
175.14819	2.5
177.12706	1.8
181.12239	2.3
185.13301	2.5
189.12698	1.7
193.12315	1.7
195.13864	1.9
199.14848	1.9
207.13803	2.5
209.15379	1.4
213.16354	2.2
221.15324	4.9
231.17441	1.9
235.16916	4.7
241.19542	2.0
259.20609	5.5
277.21634	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
52.10210	0.6
53.03932	3.0
55.01874	46.7
55.05515	26.7
55.79017	0.7
56.57618	0.8
57.03426	1.4
57.07075	5.7
65.03931	1.1
66.97119	0.8
67.05507	34.9
69.03413	1.0
69.07072	13.7
70.00112	1.4
70.00500	1.7
71.04981	2.4
71.08626	5.7
75.60271	0.7
79.05495	29.3
81.03400	2.3
81.07059	42.0
83.04976	6.7
83.08624	18.3
85.06535	1.5
85.10172	3.4
91.04906	1.1
91.05482	23.5
93.07047	38.8
95.04971	8.2
95.08611	24.8
96.84628	0.8
97.06530	9.8
97.10164	2.4
99.08078	3.6
105.07034	16.6
107.04951	1.7
107.07874	1.4
107.08595	21.7
109.06528	6.0
109.10162	10.3
111.08085	53.1
113.09633	4.1
117.07012	2.7
119.08582	10.7
121.06494	1.3
121.10151	16.0
123.08101	4.2
123.11716	4.9
125.09621	1.4
129.07010	2.3
131.08595	4.3
133.10135	19.1
135.08086	1.6
135.11696	14.6
137.09608	1.9
137.13275	2.0
139.11143	1.9
143.08543	2.7
145.10100	3.2
147.08076	1.2
147.11694	11.9
149.09639	4.2
149.13258	10.8
151.11203	7.5
153.09193	1.3
153.12761	4.4
157.10118	2.5
159.11687	2.7
161.09637	1.1
161.13263	9.1
163.11174	3.2
163.14844	4.0
165.12727	7.4
167.14270	1.2
171.11676	3.2
173.13251	1.5
175.08676	0.9
175.11186	2.7
175.14836	3.8
177.12735	1.7
177.16409	0.9
179.14285	4.1
181.12260	1.1
185.13286	3.0
189.12738	1.8
189.16525	0.7
193.12289	2.4
193.15874	0.9
199.14854	1.1
203.14261	1.3
207.13789	2.1
207.79266	0.8
213.16309	1.2
217.19627	1.7
221.15414	3.0
231.17488	1.0
231.21083	3.9
235.16789	1.6
238.10437	0.9
241.19495	2.9
249.22137	6.8
259.20639	6.2
277.21634	100.0
287.17374	0.8
295.22760	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.8
55.01876	8.4
55.05273	1.5
55.05517	20.1
55.22929	0.8
57.03434	1.1
57.07080	4.8
61.07355	0.8
61.39746	0.8
65.03939	1.0
67.05509	36.3
69.06735	1.3
69.07076	15.4
69.77925	4.7
70.06597	1.5
71.04992	3.0
71.08624	2.9
72.33528	0.8
73.86481	0.8
79.05499	57.9
81.03401	1.3
81.07062	36.8
83.04977	3.5
83.08620	11.0
84.08129	1.4
85.02905	1.1
85.06537	2.9
91.04914	1.3
91.05489	27.6
93.07050	78.1
95.04983	6.7
95.08614	26.2
97.06551	4.1
97.10173	3.6
98.20781	1.0
99.08089	4.7
105.04501	2.4
105.07040	18.1
107.04961	2.3
107.08598	41.9
109.06526	4.2
109.10170	17.2
111.08076	6.5
111.11717	1.2
114.05537	1.5
117.07013	5.7
119.07813	1.3
119.08588	14.3
121.06510	3.2
121.10151	30.9
123.04501	1.2
123.08070	3.4
123.11692	4.9
125.09606	2.6
128.24657	0.9
129.06998	2.0
131.08589	4.5
133.06453	1.2
133.10143	13.4
135.08089	2.7
135.11699	36.0
137.06050	1.3
137.09645	2.1
137.13257	2.1
139.07593	1.0
139.11176	3.3
143.08572	4.6
145.10121	5.8
147.08078	1.5
147.11717	10.1
149.02393	1.2
149.09633	2.4
149.13266	20.2
151.11165	4.5
157.10165	2.8
159.11696	3.7
161.09621	2.4
161.13271	7.7
163.07655	0.9
163.11157	4.5
163.14854	5.1
165.12732	2.7
167.10678	2.7
171.11679	3.3
173.13272	2.9
175.11206	2.2
175.14850	3.2
175.20859	1.1
177.12807	1.4
177.72769	0.9
179.10751	1.3
179.14314	1.0
185.13290	2.5
189.12743	2.0
193.12241	2.0
195.13803	2.2
199.14827	1.7
201.16255	1.0
203.14342	1.3
207.13777	2.7
213.16382	1.4
217.16113	0.9
217.19531	1.8
221.15381	4.0
231.17487	1.5
231.21092	3.5
235.16832	4.9
240.27968	0.8
241.19542	5.0
241.75571	0.8
249.22194	1.4
259.12906	1.3
259.20578	8.3
277.21646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	23.8
61.33045	13.5
64.07304	15.6
69.57740	33.4
69.58143	78.8
73.51347	17.1
77.77411	14.4
85.02897	16.0
98.21499	27.9
98.70052	17.9
98.97584	30.6
101.00891	33.1
112.43705	14.0
112.99181	28.9
119.01949	23.1
133.03448	29.6
159.05070	19.4
177.06068	17.1
195.07144	20.0
272.06793	18.2
277.03293	100.0
277.07483	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0323
Annotation	selenoneine
Peak:m/z	Relative Intensity
53.27918	8.1
60.37791	7.0
70.19540	28.6
112.89604	23.7
161.02985	8.3
264.70786	7.8
277.00586	8.6
277.03189	100.0
277.06906	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	277.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75981	0.8
53.03943	1.8
55.01873	1.1
55.05517	4.5
55.43609	0.8
57.03425	3.3
61.02932	6.5
69.03434	10.4
70.06595	4.2
70.35778	0.8
70.53112	2.1
71.05003	1.4
73.02911	2.6
80.05011	4.0
81.03423	5.3
83.06072	0.9
84.04508	1.8
84.08141	2.0
85.02911	65.5
86.09707	1.2
87.04456	1.1
91.03945	5.8
97.02892	16.9
98.06061	100.0
99.04442	2.5
100.56643	0.9
109.02910	4.4
110.06065	1.4
112.14558	0.8
114.05553	2.1
115.03963	1.7
115.05855	0.9
120.08092	4.4
127.03929	16.8
130.06053	1.0
140.07074	2.8
145.04962	32.9
163.06036	11.1
166.08670	2.0
180.08670	2.0
231.11337	1.2
242.10243	3.2
260.11246	4.1
277.13971	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.196
Annotation	MGK 264
Peak:m/z	Relative Intensity
55.01863	0.5
55.05521	2.1
57.03440	0.8
57.07082	0.4
59.05013	2.1
64.91722	0.3
67.05499	1.4
68.05030	0.4
69.03459	0.7
69.07068	1.0
70.06600	2.3
71.04993	0.3
71.51779	0.4
72.93761	0.3
73.06557	0.5
79.05499	1.2
81.03445	0.3
81.07055	2.1
82.06599	0.3
83.04976	0.4
83.08609	0.5
84.04492	0.3
84.08147	3.0
84.08942	0.3
85.02911	0.4
86.09727	0.4
87.81271	0.2
91.05482	2.1
92.60187	0.3
93.07052	2.0
94.07409	0.3
95.04993	0.5
95.08611	1.2
97.02904	0.3
97.06527	1.0
97.10181	0.3
98.06062	0.6
98.09665	0.3
98.97567	0.4
103.05486	0.4
103.89503	0.3
105.07041	2.2
106.06631	0.6
106.07364	0.9
107.07281	0.3
107.08588	0.9
108.08086	0.3
109.02927	0.3
109.06506	0.6
109.10139	0.7
110.06038	0.4
110.07203	0.5
114.05543	0.8
117.07015	0.8
118.06554	11.0
119.07277	0.4
119.08579	1.3
120.08107	1.0
120.08926	0.3
121.06538	1.9
121.10149	0.9
123.04458	0.5
123.08138	0.4
124.07602	0.3
129.07010	1.0
129.10225	0.8
131.08557	1.1
132.08080	4.4
132.08995	0.4
132.95850	2.0
133.08878	2.7
133.10138	1.7
134.09644	0.7
134.10527	0.4
135.08105	0.5
135.11688	0.5
136.06168	0.6
136.07602	0.4
137.09599	0.3
143.08595	1.4
144.95865	0.7
145.10143	1.1
146.09622	3.8
146.10640	0.4
147.08054	1.1
147.10522	0.4
147.11739	0.7
148.03961	1.3
148.07535	0.5
148.11115	0.4
148.12134	0.4
149.09634	0.5
150.96922	0.7
152.10718	0.6
155.08624	0.4
157.10103	0.3
159.08113	0.3
159.11725	0.6
160.11113	0.4
161.09637	0.7
163.07430	0.4
163.11272	0.4
166.04977	2.6
167.07141	0.4
171.11685	0.6
173.09627	0.5
174.95491	0.5
174.96910	4.1
176.14359	54.3
177.12675	0.3
177.32411	0.3
178.04930	0.4
178.12303	0.9
189.12772	1.0
190.04987	0.7
190.08632	0.8
199.11163	0.6
203.18141	0.3
213.16493	0.6
215.99536	0.3
216.13992	0.3
218.11717	0.3
231.17476	1.2
232.13445	0.5
234.14917	0.4
234.99055	0.4
240.18335	0.3
241.15994	0.4
248.12961	1.4
257.28790	0.3
258.15552	0.3
258.19119	0.4
259.16968	1.2
272.34668	0.3
276.12408	4.0
276.19604	100.0
277.19913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.196
Annotation	Lycoflexine
Peak:m/z	Relative Intensity
53.03951	1.7
53.97676	0.6
55.01877	1.2
55.05513	12.9
57.03442	8.5
57.07079	0.7
58.25226	0.7
65.03941	0.7
67.05512	2.5
68.05027	1.1
69.03432	3.0
69.07067	2.6
71.08633	0.9
71.52409	0.9
79.05496	17.4
80.05025	1.5
81.07059	100.0
83.04977	2.6
83.08616	1.5
91.05486	3.8
93.07029	3.4
94.06560	1.8
95.04975	2.5
95.08621	0.8
95.49318	0.7
96.08165	1.2
97.06556	1.6
99.08101	2.4
101.44308	0.6
105.07041	3.3
106.06564	2.3
107.04959	1.9
107.07384	1.1
107.08615	2.0
108.05724	0.7
108.08139	1.8
109.06526	2.1
109.10193	0.9
110.09701	5.8
118.06553	1.1
119.07411	0.7
119.08574	1.0
120.08096	4.0
121.06506	1.2
121.08852	0.8
121.10151	1.8
122.06068	0.8
122.09697	1.3
127.07559	31.6
129.07040	1.0
130.06535	0.9
131.07286	1.4
131.08562	2.5
132.08099	8.1
133.08873	0.9
133.10117	0.9
134.06015	6.7
134.09656	2.8
135.08051	2.2
136.07539	0.9
136.11223	2.9
138.09142	2.0
139.11154	1.1
143.08566	1.3
144.08086	1.5
145.08878	1.2
145.10020	1.1
146.05966	0.9
146.09624	1.6
147.11621	1.0
148.07500	3.2
148.11185	3.9
149.08388	1.2
149.09616	1.2
150.12799	3.1
152.10718	0.9
158.09636	1.2
159.08066	1.3
159.10387	0.9
160.07594	1.0
160.11177	1.8
161.09677	1.0
172.11159	0.9
174.09172	2.5
174.12781	12.6
175.09927	0.9
176.10704	9.4
178.12277	2.8
186.09154	1.9
186.12701	0.8
188.10683	1.1
188.14426	1.1
190.12230	4.1
196.13393	0.8
200.14461	0.8
202.12282	1.0
203.13046	1.4
204.13847	2.6
216.13811	1.0
230.19135	3.7
232.16972	9.7
258.18539	5.5
276.16101	3.1
276.19595	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.196
Annotation	MGK 264
Peak:m/z	Relative Intensity
53.03944	2.7
55.01864	2.9
55.05516	9.4
58.06599	1.7
64.74366	1.1
65.03960	1.3
66.03449	2.5
67.05507	19.5
68.05009	1.6
69.07079	17.0
70.06557	1.7
70.56277	2.4
70.56627	1.9
72.03931	1.3
79.05495	15.1
80.05018	3.6
81.06603	1.6
81.07063	25.3
83.08595	1.4
84.04489	4.1
84.08147	1.5
91.04980	1.7
91.05488	18.7
93.05791	2.0
93.07058	18.3
94.02924	9.6
94.06567	9.6
94.07832	1.2
95.04992	2.2
95.07364	1.5
95.08613	7.1
96.08115	2.4
98.06036	1.4
105.07039	30.2
106.07829	1.3
107.04937	1.7
107.07358	1.7
107.08602	13.1
108.08155	10.1
109.10141	3.3
110.06064	3.3
110.09633	1.6
112.03991	1.7
117.06994	2.6
118.06548	4.1
119.08617	8.8
120.08115	4.9
121.08885	1.8
121.10183	1.5
122.06037	18.7
122.09684	12.3
123.11710	4.6
123.48455	1.1
124.07595	2.5
124.41770	1.2
124.84227	1.1
127.07514	2.8
128.06235	4.3
130.06534	1.7
131.07306	1.5
131.08553	4.1
132.08092	3.3
133.10158	21.3
134.09656	16.9
135.10594	1.7
135.11711	4.1
136.07581	2.3
136.11220	3.6
143.08548	8.0
144.08054	1.6
145.08875	4.9
148.84070	1.1
150.09160	2.8
150.12785	26.1
154.60616	1.3
156.09079	1.5
160.11215	15.1
161.09608	8.2
161.30815	1.3
164.10715	5.4
178.12279	100.0
179.13075	16.7
226.54167	1.6
229.27570	1.2
276.19614	90.7
276.27899	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.36347	0.7
52.87186	0.6
53.03939	2.3
55.01863	2.5
55.05275	1.0
55.05513	12.8
57.03423	1.0
57.07063	1.5
65.03935	1.0
67.05509	23.8
69.03416	1.0
69.07069	11.4
71.04974	2.7
73.06551	1.0
79.05492	20.0
81.03428	0.9
81.06590	1.2
81.07056	20.2
83.04966	2.2
83.08627	4.3
85.06531	1.6
91.05483	38.5
93.06487	1.4
93.07046	21.7
95.04967	2.4
95.08616	17.0
97.06523	1.8
97.10172	2.1
103.05462	1.7
104.06240	0.8
105.07036	52.1
107.04967	3.4
107.08584	16.1
109.06527	2.2
109.10159	10.7
111.04493	1.2
111.08062	1.4
111.81294	0.6
115.05454	1.1
117.07031	11.1
119.08587	38.8
121.06513	2.9
121.10145	11.3
123.04452	0.7
123.08053	1.8
123.11706	3.1
125.09588	0.7
129.06984	2.8
131.08571	17.2
133.06586	0.8
133.10138	38.5
135.08023	3.6
135.11676	4.6
137.09619	2.2
139.56844	0.6
143.08574	3.1
145.10124	10.9
147.08008	1.4
147.11696	25.0
149.09621	6.7
149.13229	0.9
151.11148	1.0
155.08508	2.2
157.10149	2.3
159.11688	10.9
159.35382	0.7
161.09698	0.9
161.13272	7.6
163.11176	2.2
165.09039	0.8
169.10127	2.3
171.11682	2.1
173.13272	9.6
175.11145	1.8
175.14839	2.6
177.12868	1.0
179.10738	0.8
181.31412	0.7
183.11754	1.8
185.13379	0.8
187.11154	1.2
187.14861	2.4
191.10625	0.7
193.12148	0.9
197.13226	3.4
201.12787	1.3
205.12244	2.6
211.14909	1.2
215.17998	3.6
219.13736	0.9
228.99295	0.8
229.19482	3.3
233.15367	1.0
239.17978	3.0
247.20786	3.2
257.18994	5.7
275.20068	100.0
275.27628	3.5
276.20352	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01852	1.5
55.05495	6.7
57.07071	6.2
58.07421	2.0
60.01783	1.5
67.05500	8.4
69.03430	2.3
69.07052	5.9
69.86101	2.8
69.86497	3.4
70.06608	7.7
71.04990	14.0
71.06934	3.9
71.08634	2.1
79.05519	8.1
81.07063	10.4
83.04971	6.1
83.08605	4.2
85.06568	7.8
87.24082	1.7
88.07623	9.1
88.61068	1.5
89.07957	3.2
91.05484	14.2
93.07045	22.6
95.04994	4.1
95.08611	22.0
97.06553	3.9
100.55937	1.4
102.09184	3.7
105.07039	23.9
106.08656	5.3
107.08585	19.5
109.06524	14.5
109.10181	8.8
110.33430	1.5
111.08099	14.9
111.82684	1.3
115.05509	1.9
117.07016	7.9
119.08588	29.1
120.50876	1.9
121.10159	24.3
123.08039	2.0
123.11701	4.4
128.06206	2.1
129.06947	4.0
131.08568	21.9
133.10141	29.0
135.08060	22.7
135.11697	4.7
137.09627	14.7
141.06961	1.7
142.07762	5.1
143.08569	10.9
144.09319	4.2
145.10144	23.3
147.08020	2.6
147.11688	8.0
149.09660	4.0
149.13217	2.1
153.06973	1.9
155.08575	3.5
156.09322	3.0
157.10123	20.8
158.10844	7.4
159.08101	3.0
159.11699	30.9
159.20573	1.5
161.09593	3.7
161.13260	2.3
163.11151	2.1
164.36406	1.8
169.10146	5.3
171.11681	9.5
173.09576	1.6
173.13266	50.4
174.13995	6.7
175.11218	5.0
175.14799	4.5
177.12766	7.2
183.11729	11.7
184.12450	3.9
185.13243	2.0
187.11191	5.5
187.14803	8.4
189.12720	3.0
191.14336	6.5
195.11647	2.7
197.13232	7.3
199.14842	17.0
201.12694	7.6
209.13202	1.6
213.16446	5.0
214.17146	3.4
215.14413	2.0
215.17947	6.8
217.15985	4.1
219.13753	2.4
239.17838	8.2
246.10753	1.9
257.19043	21.6
257.26630	6.5
275.14856	13.4
275.20081	33.4
275.27759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03934	0.8
55.01867	1.1
55.05513	4.3
57.03440	1.1
57.07059	1.0
59.04984	1.0
67.05505	3.9
69.03410	1.6
69.06735	1.0
69.07076	12.6
69.28400	7.0
71.04981	3.3
79.05498	3.8
81.07067	6.5
83.04996	1.9
83.08614	1.7
85.06532	3.7
91.05482	5.7
93.07046	11.4
95.04974	2.5
95.08601	9.1
97.06533	1.6
98.20769	1.1
105.07027	9.6
107.04961	2.0
107.08596	8.9
109.06509	4.1
109.10171	6.3
111.08083	20.2
111.11707	2.5
113.09637	5.0
117.07020	2.6
119.08584	12.7
121.06499	2.6
121.10131	8.7
122.07311	3.8
123.08074	14.9
123.11701	1.8
129.06995	1.6
131.08572	12.9
133.10136	6.9
135.08061	24.4
135.11726	3.2
137.09581	1.8
139.07535	0.9
139.11203	3.4
142.07814	1.5
143.08572	2.8
144.09361	1.6
145.10126	9.2
147.08063	1.2
147.11691	7.7
148.08849	1.0
149.09648	3.2
149.13225	1.5
155.08597	1.2
156.09381	3.4
157.10130	6.1
158.10948	1.9
159.11687	10.5
161.09602	2.1
161.13339	1.2
163.11206	3.6
165.12764	3.2
169.10202	2.0
171.11696	21.8
173.13232	6.8
175.11111	0.9
175.14853	3.7
176.11989	4.5
177.12732	2.3
181.12241	14.3
183.11702	2.0
185.13205	0.9
187.14784	1.3
189.12753	3.4
189.16382	1.5
191.14310	100.0
197.13293	2.5
199.14796	7.8
201.12811	1.4
213.16470	1.5
215.14371	2.0
215.17963	4.6
217.15897	8.0
219.13828	1.0
229.19585	0.9
231.17418	1.2
239.17990	2.7
245.99921	0.8
257.19028	15.3
275.20093	52.1
275.27734	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	1.3
55.01858	2.5
55.05517	10.4
57.03435	3.9
57.07059	1.2
61.00386	0.7
65.03944	0.9
67.05511	18.3
69.03435	1.3
69.06727	1.0
69.07069	10.2
69.89106	1.5
69.89509	2.5
71.04984	5.3
79.05499	19.3
81.06594	1.5
81.07061	27.7
83.04971	3.1
83.08625	5.0
85.06532	2.4
88.07655	1.0
91.05484	31.5
93.07048	21.1
95.04969	4.1
95.08001	0.9
95.08608	15.0
97.06533	2.3
97.10168	1.4
103.05467	1.2
105.07039	43.1
107.04971	4.1
107.08603	16.5
109.06524	8.5
109.10163	6.0
111.08099	5.2
115.05454	1.2
117.07023	10.2
119.08585	31.8
121.06505	3.5
121.10143	8.8
123.08088	6.2
123.11677	2.4
125.09608	1.1
128.06209	1.0
129.07007	3.8
130.07777	1.1
131.08575	15.6
133.10138	33.8
135.07124	1.0
135.08067	10.7
135.11722	5.6
137.09610	3.3
141.06993	1.1
142.07773	2.1
143.08592	4.1
145.10127	15.1
147.08061	1.8
147.11699	13.8
149.09647	4.4
149.13260	1.4
151.11211	1.1
155.08562	2.3
156.09378	1.0
157.10118	7.4
158.10902	1.2
158.71474	0.8
159.11694	14.9
161.09616	2.3
161.13249	4.7
163.11183	4.0
165.12749	1.3
168.09390	1.4
169.10150	3.2
171.11671	4.5
173.09688	1.0
173.13263	16.9
174.13992	1.4
175.11156	2.3
175.14844	2.8
177.12762	3.0
183.11740	4.4
185.13307	2.4
187.11162	1.4
187.14847	3.2
189.12721	1.8
191.14323	2.2
193.12337	1.1
197.13274	4.1
199.14806	3.6
201.12846	3.6
201.16406	1.8
203.14310	2.5
205.12321	0.7
211.14803	1.0
213.16397	1.4
215.14270	1.3
215.17894	1.6
219.13751	1.1
221.90848	0.8
229.19522	2.3
233.15306	1.1
239.17952	6.9
247.20572	2.3
257.19000	15.1
275.20074	100.0
275.27759	2.9
276.20258	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.18638	0.5
53.03938	1.2
53.44771	0.5
55.01867	1.1
55.05268	0.9
55.05513	10.2
57.03437	3.5
57.07065	1.9
58.31810	0.4
65.03927	1.0
67.05506	11.1
69.07066	7.1
70.06599	2.4
70.49159	1.3
71.04999	1.0
71.06943	0.9
79.05492	10.3
81.07053	10.4
83.04981	1.4
83.08620	4.3
85.06535	1.7
88.07648	3.8
89.07936	1.2
91.05482	29.2
93.06484	0.8
93.07040	10.2
95.04990	0.7
95.08605	8.7
97.06541	2.1
97.10154	0.8
99.08052	0.7
102.09187	1.2
103.05471	0.9
104.06203	0.5
105.07033	39.6
106.08674	1.8
107.04932	0.6
107.08572	7.0
109.06535	1.9
109.10151	3.2
111.08036	0.8
115.05418	0.8
117.07022	7.6
119.08582	29.1
119.13928	0.5
119.20842	0.5
121.06492	1.0
121.10165	4.6
123.08162	0.7
129.07001	2.8
130.07686	0.8
131.08566	8.6
133.10132	20.6
135.08031	1.4
135.11668	1.5
137.09633	0.8
141.06966	0.7
143.08566	1.8
145.10120	9.7
147.08035	0.8
147.10510	1.0
147.11690	20.5
149.09619	2.3
155.08554	1.3
157.10104	2.6
159.11693	11.2
161.09599	0.7
161.13255	7.3
161.58063	0.5
163.05962	0.6
163.11183	1.3
169.10147	1.7
171.11676	1.5
173.13260	5.0
175.11095	1.0
175.14825	1.7
183.11682	1.5
185.13274	4.7
187.09605	0.6
187.11217	1.0
187.14946	0.7
191.14296	0.7
197.13300	1.5
201.12747	0.6
201.16391	1.2
203.14398	3.6
205.10558	1.8
205.12297	0.7
215.14256	0.6
219.13792	0.6
219.17429	1.4
229.19550	0.9
230.63376	0.5
233.15347	0.6
239.17961	3.1
247.20699	0.6
257.19028	8.6
257.26724	2.2
266.22177	0.7
275.20102	100.0
275.27740	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03949	1.0
55.01872	1.5
55.05514	17.1
57.03433	1.7
59.04991	0.9
65.03934	1.8
67.05505	16.7
69.03416	0.9
69.07072	10.1
69.75055	1.7
69.75466	1.2
71.04994	2.0
75.17235	0.5
77.03923	0.7
79.05025	0.5
79.05496	18.6
81.07059	21.2
83.04981	1.4
83.08622	4.6
85.06538	1.7
91.05482	55.2
92.06318	0.5
93.07046	18.1
93.07642	1.0
95.04984	2.1
95.08612	12.2
97.06529	2.0
97.10168	3.0
100.95333	0.5
101.06046	0.7
103.05456	2.0
105.07034	71.2
107.04953	2.1
107.08604	11.0
108.08849	0.6
109.06512	1.7
109.10160	5.9
111.04443	0.6
111.08076	1.1
113.05979	1.2
115.05459	0.7
115.62567	0.5
116.06281	0.5
117.07019	11.3
119.08583	32.6
121.06481	2.4
121.10144	5.7
123.08037	1.1
123.11716	1.0
125.09663	1.0
129.07031	3.5
130.07770	0.7
131.08568	21.5
133.10136	47.8
135.08026	1.8
135.11705	3.6
137.09602	1.5
141.07021	1.4
142.07819	0.8
143.08582	3.0
145.10129	17.9
147.08025	1.5
147.11693	18.8
149.09619	7.2
149.13199	1.2
155.08565	2.4
156.09328	0.5
157.10129	4.1
159.08076	0.8
159.11710	8.9
161.09601	1.4
161.13268	5.2
163.11182	1.7
169.10092	2.6
171.11694	5.4
173.09570	0.6
173.13260	5.5
175.11198	1.5
175.14859	0.8
177.12689	0.6
179.10690	0.8
181.12177	0.8
183.11697	2.7
185.13272	2.3
187.11186	1.0
189.12805	1.3
191.14273	0.8
193.12236	0.6
195.13699	0.5
196.40459	0.5
197.13292	3.7
201.12715	0.8
211.14799	1.4
213.16324	0.7
215.14261	0.8
215.17979	1.1
219.13837	1.0
229.15892	1.2
229.19588	1.2
233.15353	1.4
239.17972	4.9
247.20694	0.5
257.19006	8.5
275.20071	100.0
276.20416	0.9
277.42029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98640	0.3
56.96566	8.2
69.35286	1.7
69.35702	0.5
71.95265	2.6
83.73869	0.2
84.08156	1.6
98.97586	100.0
101.00882	0.9
116.98625	30.4
119.01934	1.0
130.93295	1.0
134.99658	5.3
140.00208	0.8
142.03490	0.6
153.60892	0.3
159.00000	0.3
172.94341	5.7
177.00890	0.6
179.51158	0.3
190.95415	2.2
197.95100	0.3
203.02277	0.3
208.96349	0.4
214.95401	3.1
230.98428	0.3
232.96466	4.8
238.95601	0.9
239.95561	0.6
240.45482	0.3
240.49416	0.6
240.95282	0.5
240.99106	0.4
248.95985	0.7
249.46219	0.7
249.99249	1.2
250.97490	1.3
251.46306	0.9
256.96454	19.0
257.96597	0.5
258.96375	0.7
260.46744	1.1
260.96713	0.3
261.03098	0.6
271.97754	0.5
274.97510	74.0
275.97751	0.4
292.98560	28.4
297.99106	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.94417	0.5
53.03938	1.8
55.01860	1.8
55.05276	0.9
55.05514	11.7
57.03434	3.4
57.07058	0.8
65.03920	1.6
67.05508	18.6
69.03439	0.9
69.07075	9.5
69.90010	2.9
71.04974	2.0
73.06544	0.7
75.10012	0.6
77.03916	1.1
79.05495	19.3
81.03401	1.1
81.07057	24.4
83.04980	2.0
83.08606	4.1
85.06528	1.7
91.05485	36.3
93.07044	20.8
95.04962	2.6
95.08611	13.5
97.06511	2.2
97.10164	1.9
99.08044	0.9
103.05450	1.2
105.07036	49.1
107.04963	4.5
107.08607	12.8
109.06522	6.0
109.10149	5.6
111.08060	2.0
115.05478	0.9
116.06229	0.9
117.07023	9.6
119.08587	31.6
121.06499	2.6
121.10159	8.1
123.08051	5.7
123.11713	1.8
129.07019	3.0
130.07790	0.9
131.07607	0.8
131.08577	14.1
133.06511	1.4
133.10136	40.1
135.08075	5.6
135.11711	5.7
137.09653	3.3
141.06970	0.9
143.08566	2.6
144.09326	0.7
145.10135	11.2
147.08005	1.3
147.11678	14.5
149.09633	4.6
149.13246	1.3
151.07442	0.7
151.11209	1.1
155.08534	1.5
157.10141	2.9
159.08063	0.9
159.11702	8.0
161.09622	1.6
161.13261	4.9
163.11163	2.8
165.12813	0.9
169.10120	2.1
171.11661	2.1
173.09583	0.8
173.13271	4.7
175.11165	2.3
175.14799	1.6
177.12755	1.6
183.11678	2.3
185.13321	3.3
187.11287	1.1
187.14853	1.1
189.12717	1.2
191.14299	1.1
197.13234	2.2
199.14874	1.1
201.12782	1.7
201.16322	1.5
203.14317	2.6
211.14977	0.7
213.16428	0.8
215.14311	1.1
215.17937	0.9
219.13846	0.9
219.17439	1.2
229.19530	2.5
239.17934	4.4
247.20605	4.1
257.19034	8.0
275.20065	100.0
275.27808	3.8
276.20456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01866	1.5
55.05516	10.9
57.06832	0.5
57.07081	6.2
58.06602	0.7
62.06055	0.4
67.05506	0.9
68.05021	0.8
69.07066	1.8
69.65553	0.3
69.68076	2.1
70.06594	8.1
71.08643	1.9
79.05489	1.1
79.21282	0.3
80.05025	3.8
81.07063	1.3
83.01324	0.7
83.08621	0.6
85.10186	0.9
86.06103	0.4
88.07637	12.8
91.05497	2.1
91.05952	0.3
93.07055	1.7
94.06566	1.0
95.04942	0.4
96.04517	0.7
98.20831	0.7
102.09186	3.8
104.04984	0.4
105.07043	1.5
106.06564	3.9
106.08681	6.9
107.08569	0.6
108.04472	1.3
110.06063	0.4
115.05473	0.5
117.05738	0.6
117.07030	0.6
118.06545	1.0
119.08579	1.1
120.04449	2.0
120.08093	0.6
121.08884	1.8
122.06039	6.9
122.09657	0.5
124.03948	0.9
126.05496	1.0
128.06255	0.5
129.07008	1.2
130.06525	1.0
131.07213	0.5
131.08589	1.5
132.04457	2.9
132.08093	0.5
133.05220	0.5
134.06027	1.8
134.09648	0.6
141.07008	0.5
143.07300	2.2
143.08443	0.8
144.08070	1.3
145.10130	0.7
146.06032	2.3
146.09616	1.0
148.07526	0.6
148.11247	0.6
150.05508	18.4
155.08598	0.5
156.08168	0.4
158.06001	0.5
158.09647	3.9
159.11549	0.4
160.07568	0.6
160.11159	0.5
162.05524	5.8
162.09146	1.7
163.06316	0.6
164.07085	1.0
171.06802	1.2
171.42525	0.4
172.07596	1.1
174.09155	3.5
176.07098	1.6
176.10728	1.1
186.09151	4.4
188.10713	1.4
190.08621	0.7
191.09491	0.8
198.09114	0.4
200.10698	0.6
200.14497	0.4
204.10208	28.4
205.10982	1.1
206.11784	0.8
212.10570	0.4
212.23723	1.2
214.12242	0.9
218.11943	0.4
220.13412	0.6
228.13905	1.0
230.24774	1.3
231.12419	0.4
245.14095	0.5
252.11890	0.4
256.17093	0.7
256.26392	6.4
274.18033	32.1
274.27411	100.0
275.20239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.1
52.39461	1.0
53.03942	3.9
55.01869	2.8
55.05513	6.4
55.45693	1.1
56.05033	2.2
56.42012	1.1
57.03433	3.3
57.07061	3.4
65.03933	2.7
65.31247	1.0
67.05510	8.7
69.03434	2.1
69.07067	4.6
70.06585	5.0
71.08620	1.6
79.05496	33.8
80.05025	5.7
81.03414	2.4
81.05762	2.7
81.07055	14.3
83.08625	1.6
84.04488	2.9
85.05296	8.4
88.07625	4.8
91.04903	2.9
91.05484	58.9
92.05028	7.7
93.05801	1.9
93.07048	20.3
94.02917	4.1
94.06562	8.0
95.04981	4.7
95.08595	2.6
96.04506	1.8
100.72885	1.3
102.09182	2.4
103.05487	6.7
104.04980	9.8
105.07036	33.7
106.06564	39.1
106.08640	2.9
107.04963	21.0
107.07324	4.1
107.08591	9.4
108.04440	2.0
108.08125	4.7
109.05276	38.0
109.06499	3.5
115.05453	5.2
116.04978	3.0
116.06237	11.4
117.07002	8.1
118.06519	6.0
119.07304	5.9
119.08600	3.7
120.04470	7.4
120.08110	12.4
121.08871	3.0
121.10155	9.5
121.53662	1.1
122.06019	4.5
129.07011	8.1
130.06531	6.0
131.08575	79.6
132.08109	13.4
133.08919	10.9
133.10007	8.1
134.06029	39.7
134.09636	7.7
141.07011	2.6
143.07292	9.0
144.05806	1.3
145.06541	2.5
146.05988	2.8
146.09636	11.3
147.06802	9.6
147.07845	1.7
148.07579	5.7
148.11220	50.1
149.09595	3.0
156.97325	1.3
158.09651	11.5
159.08044	10.0
160.07576	1.4
161.08389	4.6
162.09132	2.1
176.10718	97.5
177.11484	20.1
186.34689	1.1
206.11766	4.5
256.26312	2.5
274.18036	100.0
274.27426	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	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03943	2.4
55.01860	1.7
55.05513	17.7
57.03431	2.7
57.07080	7.2
59.04976	1.3
59.57195	1.0
65.01179	1.0
65.03938	2.2
67.05508	29.1
69.03427	1.4
69.07071	34.8
70.04884	1.6
70.06577	3.3
71.04993	1.3
71.08635	3.0
71.97684	1.2
79.05497	22.6
81.07059	61.2
83.04545	1.0
83.04972	6.0
83.08619	17.8
84.08141	4.4
85.06544	1.6
85.10159	1.0
86.09715	3.2
90.09973	1.1
91.05480	24.0
93.07046	41.3
95.04955	2.9
95.08609	68.4
97.06541	1.5
97.10176	8.9
98.20878	1.8
99.08067	1.4
103.05473	1.9
105.07036	31.3
107.04961	2.7
107.08594	43.6
108.08138	1.5
109.06504	4.0
109.10157	38.5
111.04437	9.1
111.11727	4.3
112.08758	1.2
115.05475	1.6
117.07009	8.7
119.08584	26.6
121.01363	1.0
121.06515	2.3
121.10148	43.3
123.08056	2.7
123.11707	26.8
125.09611	2.4
128.06239	2.1
129.07024	5.1
129.10214	1.1
130.07819	1.4
131.08583	12.2
133.06499	3.5
133.10138	20.5
135.08101	6.0
135.09007	1.1
135.10699	2.1
135.11700	34.8
137.13263	13.5
141.07013	1.3
142.07732	2.3
143.08534	6.1
145.10132	16.8
147.08054	4.7
147.11694	18.4
149.09686	1.7
149.13263	33.1
151.14760	3.2
152.10815	1.2
155.08551	2.3
157.10152	10.0
159.08076	2.6
159.11691	7.9
161.09644	7.9
161.13257	13.4
163.08690	9.5
163.14818	23.0
165.16347	1.2
169.10112	2.7
171.11703	4.9
173.09651	4.6
173.13260	3.9
175.11205	3.0
175.14874	9.6
177.09079	1.2
177.16423	14.0
181.10114	1.2
183.11641	2.2
185.09628	1.9
185.13277	1.9
187.11298	1.5
187.14821	1.1
189.12753	1.9
189.16374	9.3
191.17903	6.0
195.11668	1.7
197.13275	2.8
199.11209	2.0
201.09114	2.3
203.17996	11.0
207.11636	1.2
211.14827	1.1
213.12599	1.6
213.16405	2.3
215.14340	2.6
217.12305	1.4
217.16025	2.1
217.19525	16.0
227.14319	1.3
227.18036	1.7
231.17429	1.9
231.21069	2.5
237.16417	2.6
245.19060	2.5
255.17490	9.1
273.12430	15.1
273.15692	5.8
273.18564	48.3
273.25775	100.0
274.03018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
51.51432	2.5
55.05512	15.4
57.07089	6.8
60.26697	2.6
67.05516	25.7
69.07073	37.7
71.08611	2.7
79.05485	15.9
81.06594	4.5
81.07063	78.3
83.08612	12.5
85.82906	2.7
91.05502	13.5
93.07047	44.4
95.08611	80.3
97.10180	10.5
99.28715	2.9
105.07031	24.9
107.08603	52.8
109.09504	2.1
109.10165	55.3
111.11699	4.0
114.63466	2.6
119.08599	24.1
121.10146	51.7
123.11722	46.8
125.05156	3.0
131.08531	3.5
133.10162	18.9
135.11707	31.2
137.13266	12.8
137.84090	3.0
147.11702	21.0
149.13266	54.7
151.14851	7.6
154.14960	2.8
161.13237	31.9
163.14839	35.3
175.14861	16.4
175.16119	3.1
177.16406	17.3
183.72401	2.8
189.16417	21.9
191.17952	12.4
203.17921	18.3
217.19519	27.3
229.01772	3.3
231.21065	3.1
273.16684	3.6
273.22711	5.4
273.25784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03942	1.8
55.05510	14.8
56.96578	1.9
57.03448	2.1
57.07071	5.9
59.03370	1.5
59.05011	2.0
64.34858	1.5
65.03939	1.5
67.05508	19.8
69.03427	2.6
69.07072	32.5
69.94682	7.0
70.06590	6.0
70.54131	1.5
71.04978	2.3
71.08629	2.6
72.08145	2.0
79.05492	13.3
81.06593	2.5
81.07063	46.5
83.04981	4.5
83.08627	12.0
84.04488	1.5
84.08150	8.0
84.93987	1.6
85.02894	2.3
85.06570	2.5
86.09734	3.5
87.73750	1.7
91.05479	15.9
93.07043	31.7
95.04945	6.1
95.08609	48.1
95.34035	1.4
97.02878	1.7
97.06523	3.8
97.10172	5.6
98.20795	1.7
98.97592	7.1
99.04469	3.2
105.07026	28.5
107.04975	3.3
107.08599	40.6
109.06525	7.1
109.10163	32.3
109.10770	0.9
110.07127	1.6
111.04452	2.6
111.08078	2.6
111.11704	3.3
115.05438	2.2
117.06997	9.8
119.04938	2.1
119.08586	35.4
121.06503	3.0
121.10156	34.2
123.04394	2.5
123.08070	4.3
123.11737	17.7
125.09607	2.2
128.06264	2.2
129.06993	5.7
130.07791	2.7
131.08560	21.2
133.06480	3.2
133.10123	21.6
135.08055	6.6
135.11708	18.0
137.09621	2.1
137.13263	5.5
141.06982	4.9
142.07774	8.3
143.08559	16.5
144.09328	2.0
145.06470	2.2
145.10146	21.2
147.04422	6.2
147.08051	6.1
147.11708	20.3
149.09622	5.7
149.13287	22.4
151.14774	3.3
153.01866	10.8
155.08543	7.5
156.09351	12.6
156.12160	1.6
157.10129	46.9
158.99664	1.7
159.08023	2.9
159.11694	11.0
160.08791	1.8
161.06062	1.7
161.09610	10.1
161.13258	13.2
163.14842	17.9
167.08565	4.1
169.10139	10.3
170.10976	2.1
171.11699	33.1
173.09659	5.8
173.13258	9.4
174.10469	3.7
175.11078	8.7
175.14830	8.3
177.12726	1.7
177.16414	9.8
180.09271	1.7
181.10135	6.2
182.10941	4.4
183.11697	6.9
184.08817	3.2
185.09599	2.3
185.13271	6.7
187.11211	4.7
187.14839	8.1
189.12770	10.0
189.16423	7.0
191.10712	1.8
191.17960	5.3
195.11710	5.1
196.12480	3.8
197.13271	27.8
198.14091	4.8
199.11195	36.9
199.14818	6.4
201.12779	2.0
203.17964	9.8
207.11650	2.6
208.12408	2.0
209.13258	2.1
211.14828	20.3
212.15607	23.9
213.12718	4.8
213.16382	41.2
214.13574	3.0
215.14357	5.2
217.12282	11.4
217.19557	10.2
222.13983	3.3
225.13077	1.9
227.14378	3.1
227.18019	2.1
229.15932	1.6
231.17467	5.4
231.20998	2.0
237.16333	7.9
245.19284	1.7
255.14528	4.6
255.17447	100.0
256.13361	1.6
272.69568	2.0
273.07486	8.9
273.12323	4.8
273.15634	7.3
273.18539	97.2
273.21964	5.0
273.25769	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03942	2.1
53.04297	0.9
55.01862	3.2
55.05522	7.1
55.92359	0.8
57.03440	1.8
57.07072	1.6
59.04987	1.2
65.03959	1.3
67.05508	13.0
69.07076	6.8
70.06593	1.0
71.05005	1.4
79.05489	12.4
81.03413	1.8
81.07053	14.4
83.04978	2.7
83.08624	2.5
91.05488	18.8
93.07046	13.6
95.04981	4.1
95.08610	10.6
97.06531	2.0
97.10155	1.4
103.05485	1.7
105.07024	23.2
107.04968	5.0
107.08590	7.1
109.06524	3.3
109.10175	4.2
111.08098	1.1
115.05449	1.8
116.06231	1.2
117.07005	10.0
119.04947	1.2
119.08585	14.8
121.06503	10.3
121.10133	4.7
123.08084	2.9
123.11671	1.6
125.09671	1.3
128.06252	1.4
129.06984	6.1
130.07790	0.9
131.08568	15.7
133.06491	7.4
133.10147	9.3
135.08055	2.9
135.11685	2.2
137.09634	1.6
141.06973	1.7
142.07837	2.7
143.08566	9.0
145.06493	2.7
145.10129	13.2
146.07213	1.5
147.08052	9.7
147.11687	5.1
149.09619	4.8
155.08586	3.3
156.09334	1.1
157.10138	10.3
159.08069	3.8
159.11687	6.8
161.09621	11.3
161.13251	1.2
163.11189	1.2
169.10121	3.0
171.08170	0.9
171.11696	7.7
173.09641	2.5
173.13297	2.5
175.11203	5.5
181.10120	1.3
185.09583	2.1
185.13283	3.3
187.11201	1.9
187.14865	1.2
189.12788	2.6
195.11755	1.8
199.11218	1.8
199.14920	1.5
203.10721	1.3
203.14369	1.1
205.12253	1.1
211.14873	1.9
213.12805	1.2
213.16447	4.2
215.14330	1.0
217.12219	2.3
227.17952	5.1
229.34352	1.2
231.17480	1.2
237.16418	3.1
245.19046	6.7
255.17468	10.3
267.16986	0.9
273.18536	100.0
274.27570	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.26213	0.9
53.03946	1.0
55.05493	2.9
57.07076	1.3
67.05488	3.4
69.07063	7.2
69.90920	1.9
69.91333	4.0
79.05479	3.3
81.07067	5.8
83.04980	1.1
83.08581	2.2
84.08148	2.2
85.06520	1.0
91.05480	7.0
93.07056	12.0
95.04958	1.3
95.08620	8.5
105.07034	14.2
107.08595	19.4
109.06505	3.9
109.10178	3.0
111.04403	1.3
111.08131	1.0
117.06999	1.8
119.08584	32.0
121.10159	8.4
123.08097	2.6
123.11683	2.0
125.09589	1.2
128.06197	1.9
129.07004	4.2
130.07735	1.2
131.08575	4.3
133.06552	1.2
133.10136	13.9
135.08066	1.9
135.11708	2.1
137.09615	1.7
141.06940	1.9
141.56407	1.1
142.07802	7.2
143.08568	13.8
145.06467	1.4
145.10120	7.1
147.08018	1.3
147.11678	3.1
155.08513	1.3
156.09308	6.7
157.10132	46.3
159.08054	1.4
159.11705	3.8
161.09648	1.1
161.13277	1.5
163.11250	1.3
164.48978	0.8
169.10112	1.5
170.10951	2.4
171.11687	19.8
173.13242	1.2
175.11160	3.5
178.25639	1.1
183.11691	2.6
185.13235	4.2
187.14868	2.0
189.12660	1.4
198.13983	1.9
199.11234	1.3
201.09140	1.6
213.16380	100.0
217.12305	1.7
231.15544	0.8
231.17439	19.0
273.15524	2.0
273.18515	40.0
273.22952	1.6
273.29752	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.27538	0.3
53.03946	1.1
55.01883	2.6
55.05512	7.0
57.03416	0.9
57.07076	0.6
67.05507	10.6
69.03422	1.0
69.06801	0.4
69.07071	4.3
70.50948	0.7
70.51312	0.7
71.04956	1.1
77.03928	0.5
79.05493	8.9
81.03403	0.5
81.07056	9.3
83.04989	1.8
83.08620	2.2
85.06537	0.8
89.94117	0.3
90.26550	0.3
91.05479	16.9
93.07048	7.3
95.04978	2.2
95.08614	6.4
97.06534	1.3
97.10152	1.4
99.08096	0.4
103.05458	1.1
105.03387	0.4
105.07028	14.6
107.04956	2.9
107.08593	5.1
109.06512	1.8
109.10145	2.8
111.08122	0.9
115.05447	1.6
116.06217	1.2
117.07020	11.7
119.04940	0.5
119.08584	15.5
121.06495	2.2
121.10152	3.1
123.08070	1.2
123.11723	0.6
125.09622	1.0
128.06175	2.1
129.07004	6.4
130.07793	2.3
131.04912	0.9
131.08568	26.7
131.76888	0.4
132.05696	0.7
133.06514	3.8
133.10120	5.1
135.08005	2.2
135.11671	1.0
137.09578	0.6
141.06960	1.2
142.07764	0.9
143.08557	8.8
144.09398	0.7
145.06456	1.4
145.10124	20.1
147.08044	9.5
147.11699	2.1
149.09622	2.4
151.11182	0.9
153.09131	0.5
155.08595	1.8
156.09300	0.5
157.06488	0.9
157.10135	6.3
158.10887	0.6
159.08075	3.7
159.11697	6.7
161.09624	6.8
161.13251	0.7
163.07541	0.5
163.11186	1.2
167.08514	0.6
169.10143	1.5
171.08022	0.7
171.11664	3.8
173.09618	2.2
173.13281	1.4
175.11162	4.6
177.09120	1.2
177.12828	0.6
181.10081	1.7
183.11691	1.1
185.09608	1.7
185.13251	2.0
187.11195	1.3
189.12767	1.3
195.11719	1.6
197.13376	0.5
199.11205	2.4
199.14845	0.5
201.09122	0.4
201.12698	0.4
203.10744	0.9
203.14368	0.4
205.12305	0.4
209.13290	0.7
211.14894	0.9
213.12772	0.8
213.16409	1.5
217.12178	0.6
227.17928	3.3
231.13921	0.4
231.17513	0.9
237.16371	3.3
241.10724	0.4
245.19022	2.9
254.74573	0.4
255.17445	8.6
273.18497	100.0
274.18646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03930	2.3
55.01865	2.0
55.05511	18.7
56.96559	2.2
57.07063	6.8
65.03942	1.9
66.13270	1.9
67.05507	20.5
69.03442	2.8
69.07069	29.5
69.54691	9.8
70.06575	5.3
71.04987	4.3
71.08609	1.9
72.08141	2.8
72.43722	1.5
73.91305	1.7
79.05493	17.6
81.07061	48.5
83.04977	6.4
83.08617	13.6
84.08155	8.7
85.02915	1.8
85.06546	3.6
86.09689	4.2
91.05492	22.1
92.16454	1.5
93.07056	32.3
95.04972	3.9
95.08608	40.8
97.02896	2.0
97.06529	4.9
97.10158	7.5
98.97576	6.7
99.04465	3.4
99.08144	1.6
105.07036	32.6
107.08596	38.2
109.06519	7.0
109.10161	37.2
110.07142	1.7
111.08085	2.6
111.11732	3.7
111.78075	1.6
115.05427	3.5
116.98653	2.0
117.07018	10.9
119.04917	3.3
119.08589	36.5
120.08128	2.3
121.02897	3.6
121.06471	4.4
121.10143	35.1
123.04446	3.4
123.08090	4.1
123.11711	16.4
125.09617	2.7
127.03896	2.0
128.06183	2.6
129.07008	8.7
129.10228	2.8
130.07751	3.1
131.08577	21.7
132.09340	1.4
133.06473	2.3
133.10146	26.3
134.10469	2.2
135.08089	5.1
135.11713	21.3
137.09622	4.8
137.13249	5.7
141.06985	5.0
142.07771	7.7
143.08589	16.1
145.10138	22.1
147.04428	5.3
147.08051	3.6
147.11719	25.5
149.09651	3.3
149.13278	20.5
151.11227	3.4
151.14856	2.0
153.01865	5.6
153.06958	2.0
155.08542	7.8
156.09364	9.7
157.10136	52.6
159.08073	5.8
159.11726	14.0
161.09644	11.2
161.13289	10.7
163.11246	1.8
163.14796	12.6
167.08511	3.8
169.10072	9.6
170.10948	3.4
171.11690	26.3
172.12440	2.3
173.09583	7.8
173.13290	12.0
174.10374	3.4
175.11252	6.8
175.14891	8.3
177.12801	2.6
177.16347	8.6
181.10126	5.4
182.10921	4.4
183.11720	7.4
184.08737	3.6
185.09639	3.7
185.13278	7.5
187.11188	6.1
187.14873	10.3
189.12787	13.0
189.16446	10.2
191.07103	2.1
191.17908	4.5
195.11729	6.1
196.12515	3.7
197.13254	33.1
198.14064	4.2
199.11198	40.6
199.13110	1.9
199.14856	6.9
201.16379	1.7
203.17958	8.3
207.11772	2.2
209.13333	3.2
211.14842	20.9
212.15611	26.5
213.12943	4.4
213.16394	43.0
214.13560	2.8
215.14371	5.7
215.17972	2.0
217.12193	10.4
217.19426	8.6
222.14012	2.4
227.17944	4.4
229.15915	2.3
231.17453	5.5
231.21002	2.6
237.16385	7.3
240.15140	2.7
255.17456	93.2
264.14838	2.6
273.07614	7.8
273.12292	6.3
273.15671	5.9
273.18515	100.0
273.22256	6.5
273.25769	55.9
284.66119	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	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03931	1.0
55.01868	1.2
55.05516	5.6
57.03419	0.8
57.07076	3.6
59.04995	1.8
59.97814	0.6
64.41140	0.6
65.03918	1.1
65.30870	0.7
67.05507	7.6
69.03435	1.8
69.07067	7.7
69.92155	2.9
70.06582	0.8
71.04988	4.4
79.05500	9.3
80.06466	0.6
81.07066	10.2
83.04976	3.6
83.08614	2.7
84.08130	1.5
85.02866	0.7
85.06554	5.0
91.05482	12.0
93.07049	10.6
95.04973	28.5
95.08607	9.7
97.02921	0.8
97.06512	1.8
98.20823	0.8
98.97545	0.8
99.08083	2.4
103.05464	1.4
105.07036	18.8
107.04948	0.7
107.08599	12.6
109.06522	28.9
109.10167	8.4
111.04478	0.6
111.08088	5.6
113.06007	1.1
115.05440	1.4
116.06232	0.9
117.07027	7.7
119.04947	0.6
119.08585	25.5
121.06504	1.9
121.10149	8.4
122.07188	0.9
123.04404	2.6
123.07204	1.2
123.08070	19.1
123.11710	3.1
123.74496	0.6
125.09621	1.2
128.06223	2.7
129.06993	5.8
130.07805	2.5
131.08574	18.4
133.06488	1.8
133.10129	11.2
135.08063	8.0
135.11687	3.8
137.09607	9.3
141.06992	2.3
142.07779	7.2
143.07501	1.1
143.08569	14.1
144.09340	3.0
145.06491	1.2
145.10127	44.3
147.08046	5.4
147.11690	14.9
149.09641	3.5
149.13289	1.3
151.07523	2.1
151.11188	4.3
153.01881	0.9
153.07101	0.7
153.09134	0.9
155.08536	4.6
156.09354	9.2
157.10143	25.6
158.07233	1.0
158.10899	4.1
159.08064	3.8
159.11702	15.7
160.08916	0.8
161.09634	6.8
161.13263	4.1
163.11203	4.4
163.14853	1.1
165.07013	1.2
166.07809	0.7
167.08562	2.4
168.09363	1.0
169.10138	6.6
170.10942	2.5
171.08064	0.9
171.11691	22.1
172.12430	2.2
173.09651	8.1
173.13268	23.3
174.10423	2.4
175.07536	1.7
175.11185	9.9
177.12764	2.3
181.10110	2.6
182.10944	4.9
183.11726	3.9
184.08858	0.8
184.12451	1.3
185.09630	2.4
185.13242	10.4
186.10484	0.9
187.07541	1.0
187.09541	0.9
187.11200	16.0
187.14819	6.6
188.12000	0.8
189.09175	1.2
189.12747	16.1
189.16373	1.8
190.13486	1.1
191.14284	2.2
193.10063	1.4
193.12227	0.7
195.11711	3.5
196.12518	2.2
197.13275	14.9
198.14046	1.7
199.11188	10.6
200.11908	1.9
201.12682	3.2
202.98929	0.6
203.14240	4.7
203.17918	1.6
205.12253	0.8
207.11661	1.6
208.12564	0.8
209.13277	2.1
211.14853	4.8
212.15569	2.6
213.12820	4.5
213.16364	14.7
214.13591	2.0
215.14326	39.9
215.94086	0.6
217.12245	7.9
217.19617	0.7
222.14040	2.0
225.12816	2.1
227.14291	1.2
227.17802	3.1
228.13899	1.0
229.15979	4.1
231.13911	1.0
231.17444	18.1
237.16365	4.2
240.15137	2.3
243.13870	1.2
245.19022	1.2
255.17467	29.1
258.16486	0.7
273.18497	100.0
273.25912	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03935	1.3
53.10448	0.6
55.01864	2.4
55.05513	24.7
57.03424	1.4
57.07062	2.4
59.05004	1.1
65.03952	1.0
67.05508	13.9
69.03454	0.7
69.07072	15.3
69.73829	1.2
69.74239	2.6
71.04999	2.0
72.02977	0.6
76.28212	0.7
77.86578	0.5
79.05070	1.3
79.05493	13.5
81.07059	22.7
83.04993	3.0
83.08621	12.4
84.08150	0.8
85.06555	1.4
87.04485	0.7
91.05483	29.3
91.92104	0.6
93.07045	16.0
95.04975	2.0
95.08607	19.3
97.06536	2.1
97.10178	6.4
99.08118	1.0
103.05466	1.6
103.44140	0.7
105.07037	32.2
107.04978	1.2
107.08603	12.4
109.06508	3.2
109.10159	10.6
111.04461	1.0
111.08068	0.8
115.05424	3.8
116.06221	3.9
117.07023	24.3
119.04932	0.6
119.08587	17.7
121.06514	2.6
121.10135	9.6
123.04469	0.7
123.08084	2.5
123.11706	4.7
125.09644	2.0
128.06210	7.1
129.07005	11.4
130.07814	7.1
131.04861	1.6
131.08572	57.0
132.09384	0.8
133.06503	2.9
133.10133	11.6
135.08070	2.7
135.11685	5.6
137.13264	2.0
141.07013	2.5
141.09134	1.1
142.07784	2.6
143.08565	44.9
144.09306	2.1
145.06487	1.4
145.10130	64.8
147.08037	5.8
147.11688	6.3
149.09650	1.8
149.13272	4.5
151.14847	1.3
153.07025	0.8
155.08633	3.3
156.09354	1.0
157.10138	13.9
158.10895	0.7
159.08070	2.4
159.11707	13.9
161.09637	5.8
161.13292	3.8
163.11185	0.8
163.14795	4.4
166.07753	0.6
167.08527	1.2
169.10126	5.6
171.11671	7.9
172.12486	0.8
173.09619	1.7
173.13246	2.6
175.11201	2.9
175.14786	3.0
176.63651	0.7
177.12807	1.1
177.16431	2.9
181.10112	4.2
183.11784	3.2
185.09601	1.4
185.13316	3.5
187.11235	1.2
189.12787	1.3
189.16409	2.9
191.17992	1.2
195.11688	5.9
199.11185	1.7
201.12679	0.6
203.17935	5.9
209.13319	1.2
211.14844	2.0
213.12788	1.7
213.16396	1.4
217.12241	0.7
217.19513	4.1
227.18007	3.5
228.13617	0.9
231.13766	0.9
231.21071	2.1
237.16371	11.5
245.18982	2.6
255.17459	15.8
273.18509	100.0
273.25748	22.4
279.03513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1236
Annotation	Limazepine C
Peak:m/z	Relative Intensity
53.03951	0.7
55.01841	0.4
55.05508	1.6
57.07046	0.5
67.05506	3.6
69.03417	0.5
69.06738	0.3
69.07074	4.3
70.06583	0.7
72.08141	0.3
77.03927	0.4
79.05493	2.8
79.38354	0.3
81.03410	0.5
81.07053	4.9
83.08586	1.1
84.08119	1.2
86.09713	0.6
86.73122	0.3
91.05497	2.0
93.07051	3.2
94.02888	0.4
94.06564	0.6
95.04971	8.7
95.08606	5.0
97.06481	0.4
97.10178	0.7
98.97555	0.8
99.04458	3.6
105.07046	2.6
105.52677	0.3
106.06566	0.8
107.04939	0.3
107.08602	2.7
109.10171	3.0
111.04449	0.4
111.11688	0.5
117.06992	1.0
119.08603	2.4
120.08053	0.5
121.06501	0.5
121.10155	3.6
122.06016	0.5
123.04430	16.0
123.11711	2.1
127.03906	0.4
129.10181	0.4
130.06508	0.8
131.08546	1.3
132.04428	0.6
133.06502	0.5
133.10109	1.3
134.06026	4.9
135.04449	0.4
135.08063	0.5
135.11714	1.7
137.13231	0.7
145.10069	0.9
146.06029	0.7
147.04436	0.4
147.11649	1.2
148.03914	0.6
149.13243	1.5
153.01805	0.5
157.10144	0.9
158.04764	0.7
158.06004	0.7
159.05544	0.8
159.06789	0.4
159.08012	0.4
159.11703	0.4
161.13223	1.1
162.05515	7.9
163.14790	1.4
166.05057	0.5
167.07213	0.4
171.05505	2.0
173.13350	0.6
175.05048	3.1
175.11111	0.4
175.14786	0.8
176.05829	0.7
177.06598	1.5
177.16435	0.7
177.26599	0.4
178.04877	0.7
180.06606	1.4
182.09618	1.0
183.09299	0.5
185.04723	0.8
185.07126	1.5
187.09937	0.4
189.06615	0.8
189.16420	0.4
190.07393	0.8
191.17923	0.4
193.10464	0.4
195.06735	0.6
197.07047	2.1
198.07849	3.0
199.08647	1.0
199.12418	0.4
201.06599	1.3
203.17868	0.6
210.09146	4.2
211.08649	3.8
211.14890	0.4
212.05762	0.7
212.09381	4.8
213.06580	1.2
213.16446	0.6
215.08171	1.2
215.09782	0.7
217.19566	0.8
223.06107	0.4
225.06602	3.4
225.10225	0.6
226.05104	0.7
226.07355	13.6
227.08246	2.3
227.11783	9.4
228.10156	0.6
229.09729	1.4
237.10252	0.6
238.08641	8.7
238.11028	0.5
239.07867	2.4
240.08943	13.7
244.12076	2.2
253.09703	2.0
255.11293	64.1
273.12344	100.0
273.22278	1.3
273.25702	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	272.1645
Annotation	Isococculine
Peak:m/z	Relative Intensity
56.27262	0.4
60.08574	0.3
65.03928	1.4
67.05516	0.4
69.07072	0.6
69.63500	2.5
70.44827	0.3
79.05486	0.8
80.04996	0.6
81.03414	0.5
81.07045	0.5
91.05495	2.8
93.03417	0.7
93.07040	1.5
94.06573	1.2
96.04517	0.5
97.07338	0.4
105.03387	0.5
105.07035	3.8
107.08579	0.6
108.08089	2.3
115.05470	0.7
117.07018	2.5
118.06515	1.1
119.07336	1.5
119.08581	1.6
128.06207	0.7
131.08572	0.7
132.08109	0.9
133.05305	0.4
133.06416	0.5
134.06003	0.5
134.09663	7.2
141.06985	0.7
142.07849	0.3
143.07324	0.6
143.08533	0.8
144.08051	0.4
145.06599	0.4
146.06039	0.7
146.48071	0.3
147.06819	3.1
150.09140	0.9
157.33322	0.4
158.09631	1.1
160.07584	1.6
162.09146	36.2
168.08113	0.5
171.06778	1.0
174.09131	0.7
176.10706	3.1
182.09633	0.4
184.07634	0.5
186.09146	24.2
188.10709	1.2
194.09634	0.8
200.10712	24.1
202.12296	0.8
206.09666	0.5
207.10385	0.6
214.12241	0.5
217.37343	0.4
220.11195	1.1
221.11984	0.7
226.12202	0.5
228.13837	4.3
229.14690	1.9
236.14365	0.6
238.12279	0.7
244.16991	1.0
254.15483	2.5
266.61984	0.4
272.16455	100.0
273.16699	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.05524	0.9
56.05022	0.5
56.96542	0.4
57.03437	1.2
58.06601	0.5
58.24633	0.4
60.05624	0.6
69.03432	12.6
69.07069	0.9
70.06599	5.8
71.04978	0.7
71.06909	0.5
72.08158	4.7
73.02879	0.6
74.06084	0.8
79.05489	0.8
81.03419	0.6
81.04547	1.2
81.07079	0.5
83.04974	1.0
84.04491	2.4
84.07639	0.6
84.08141	10.1
85.02909	4.2
85.18152	0.4
86.09708	6.5
87.05598	0.8
87.10030	0.4
88.04003	0.7
91.05473	0.6
95.01334	30.6
95.04971	1.2
95.06078	0.6
97.02894	100.0
98.97569	0.7
99.04462	0.9
102.05534	0.5
107.04965	0.5
109.02875	3.0
110.07166	0.8
111.04431	0.8
112.08736	0.7
113.02372	3.1
115.03931	0.7
115.08700	0.6
116.07069	0.4
119.16208	0.4
120.08081	0.4
121.06496	0.8
123.04464	0.6
125.02362	1.2
125.07154	0.9
127.03928	0.7
129.01871	1.2
129.10236	4.4
130.04941	0.6
133.06113	0.7
135.04416	0.4
137.02345	0.6
139.03917	1.0
141.01826	13.9
143.08109	0.7
147.04454	0.6
149.05986	3.3
151.03931	1.4
153.01872	0.5
153.05487	0.8
155.03455	0.6
159.02895	22.2
165.05266	0.4
167.03433	0.6
175.11882	0.5
177.03975	2.5
183.15005	0.4
193.04953	4.8
195.02904	1.1
209.04494	0.7
227.05560	1.2
237.04005	1.3
245.06580	0.5
249.64247	0.5
255.04997	12.7
255.17104	0.8
273.06088	0.8
273.08994	0.6
273.18161	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	272.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01872	1.0
55.05511	3.7
56.05033	1.7
57.03426	2.2
58.06588	3.5
60.04518	2.7
60.05661	1.8
65.03923	1.0
67.01859	1.3
67.05497	3.0
68.05026	1.6
68.93294	0.8
69.03410	2.5
69.07055	2.3
70.06596	18.7
71.04986	1.2
71.06938	1.0
71.51713	1.1
72.08160	14.0
74.06056	1.3
76.79670	0.8
79.05494	4.2
80.04996	2.3
81.03433	4.6
81.07054	4.6
81.27715	0.8
82.02941	0.7
82.06576	1.8
83.04962	1.5
84.04064	0.8
84.04500	5.5
84.07642	0.9
84.08143	15.5
85.02888	1.0
85.06522	0.8
85.08440	0.8
85.38351	0.8
86.06063	1.8
86.09708	16.6
88.03986	1.9
91.05471	6.2
93.05819	0.9
93.07046	2.2
94.06593	0.9
95.04969	2.6
95.08640	1.0
96.04484	6.1
97.02901	19.4
97.06548	1.1
98.06059	1.5
98.09696	5.2
98.97578	1.5
103.05446	1.3
104.31313	0.7
105.07032	1.3
106.02924	2.2
106.06566	7.8
107.04954	1.4
108.04465	2.8
108.08129	8.3
109.02864	1.1
109.06503	4.3
110.06039	5.0
110.07150	3.6
110.09702	1.2
111.04509	0.8
112.07584	1.2
112.08746	1.6
116.04954	1.1
116.07068	2.4
117.05772	0.9
118.06542	9.4
119.04964	0.8
119.08598	1.2
120.08111	4.0
121.06481	2.8
122.05991	1.9
124.03960	12.4
124.07586	11.8
126.05532	1.8
127.00044	0.9
127.05030	1.1
129.10252	10.2
130.04991	1.7
130.06503	1.6
130.08611	1.1
131.06877	0.9
132.10179	1.1
134.02377	16.0
134.06015	40.1
135.03159	6.9
135.04175	1.0
136.03941	1.1
136.07570	11.6
137.05957	1.4
138.05492	7.1
138.09143	2.0
139.03918	0.9
140.07068	1.4
140.14354	1.4
143.11810	0.9
144.04480	1.0
146.06023	1.5
147.04424	1.6
148.07568	2.9
150.05463	2.8
152.03445	16.4
152.07065	30.7
152.08307	1.5
154.08649	1.9
156.07678	1.2
156.13771	0.8
157.07597	1.7
158.07962	2.4
161.04716	4.0
162.05513	60.3
163.03899	1.2
164.07072	18.8
166.05003	3.2
166.08641	3.4
170.06013	1.3
175.11865	1.6
176.07074	10.4
180.06567	19.8
184.06049	5.9
190.05005	12.4
194.08130	13.0
195.06558	1.3
196.09688	3.5
204.08510	1.5
208.06065	71.9
214.10753	6.2
222.07628	48.8
226.06741	1.3
228.15921	1.3
240.08681	100.0
254.10197	1.6
254.13892	2.6
272.07959	6.8
272.11282	73.6
272.18860	8.8
272.21463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.3
55.01870	0.9
55.05515	5.0
56.05048	0.6
56.96562	5.0
61.02916	1.7
66.69026	0.4
68.05018	0.7
68.99775	0.7
69.03419	0.8
69.43852	3.3
70.06596	9.0
72.08147	0.9
73.02965	0.6
74.63469	0.5
75.58643	0.5
79.05478	1.7
80.04989	0.7
81.03403	1.2
83.04983	1.1
84.04494	1.4
84.08134	2.3
84.96033	1.5
85.02901	2.4
86.09691	1.7
89.35572	0.5
91.05479	0.8
92.04993	0.7
93.03386	0.8
95.01333	1.6
95.04972	1.3
96.04505	6.4
97.02903	3.7
97.05275	13.9
98.05428	1.0
98.06059	19.5
98.09703	3.1
98.97591	4.3
104.10755	0.6
107.04928	1.5
108.04482	1.1
109.02882	37.0
110.06036	2.2
110.07159	0.9
111.04429	1.0
112.03951	0.8
112.89584	1.3
112.99197	0.6
114.05489	1.0
116.07092	1.1
116.98621	0.9
119.01910	0.8
121.02882	0.8
123.04435	0.7
124.03947	0.8
124.99126	2.5
125.02383	1.2
125.06017	1.0
126.05516	8.8
127.03946	0.7
128.98663	0.6
129.10254	0.6
135.04417	1.0
137.02344	6.1
138.05469	1.3
139.03915	2.9
140.14372	0.6
140.98647	0.5
143.00157	4.7
144.98051	0.7
147.04402	1.7
149.02296	0.6
149.98509	0.6
151.03903	19.6
152.98521	0.6
153.01877	1.0
153.05446	1.5
154.04932	0.7
155.03413	5.9
158.99635	1.5
161.01216	3.2
163.03908	1.6
165.01851	1.1
166.02675	1.2
166.04985	1.5
167.03384	4.9
174.04341	0.5
174.99173	0.8
175.11969	0.6
179.03415	0.8
181.04950	1.0
182.57974	0.5
186.04460	1.0
186.99165	1.1
190.57188	0.5
191.03395	1.2
192.99998	0.7
193.01491	1.2
194.04509	1.5
195.01134	1.0
195.02890	15.8
204.05344	0.8
205.00191	1.7
209.04454	21.0
212.05666	1.3
219.02982	1.2
223.01302	1.3
227.05539	0.8
237.03975	10.7
248.99232	1.9
249.04201	1.0
254.06616	1.9
255.04968	4.6
267.00287	1.4
272.07651	100.0
272.17001	2.6
273.08139	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
51.51651	0.4
53.03942	1.2
53.45524	0.4
55.05514	9.2
57.07080	2.5
65.03916	0.5
66.09160	0.4
67.05506	11.2
68.84197	0.4
69.03469	0.4
69.07070	13.8
71.08626	0.7
72.55225	0.4
77.03885	0.6
79.05499	8.5
81.03430	0.7
81.07060	27.5
83.08629	4.9
84.08120	1.4
91.05484	9.0
93.07047	20.8
95.04955	1.3
95.08612	29.4
97.10177	4.3
99.04435	0.6
105.07035	19.6
107.08602	24.7
109.02866	1.4
109.06470	0.5
109.10162	20.9
110.07152	0.5
111.11682	0.9
117.07030	3.6
119.04900	0.5
119.08587	19.8
121.06496	1.7
121.10148	23.3
123.11720	11.8
125.13303	0.6
127.03899	0.7
129.07043	0.9
130.07780	0.6
131.08571	9.9
133.10133	18.0
135.10704	0.9
135.11700	15.9
137.13260	3.8
143.08560	1.1
144.09314	0.7
145.10133	13.6
146.10973	0.4
147.11700	13.9
149.13272	11.2
151.14809	0.7
153.01776	0.6
157.10138	1.7
158.10886	0.8
159.11700	10.5
161.13260	12.9
162.43274	0.4
163.14828	6.4
171.11658	3.1
172.12611	0.6
173.13266	9.2
175.14838	14.9
177.16409	2.8
183.11668	0.5
185.13284	1.4
186.14081	0.6
187.14835	13.6
188.15680	0.5
189.16399	10.7
190.17200	1.3
199.14810	3.8
200.15692	0.5
201.14595	1.0
201.16397	11.4
203.17982	1.3
213.16417	1.5
214.17163	1.2
215.17972	14.7
227.17952	1.6
228.18785	2.0
229.19524	7.9
243.20973	1.0
271.06024	7.7
271.24216	100.0
272.24622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07562	0.6
53.03939	1.6
55.05512	9.2
55.32992	0.6
56.96549	0.7
57.03427	1.1
57.07071	2.7
60.60949	0.6
67.05508	13.2
69.03410	1.2
69.07071	12.1
69.16984	1.8
69.17397	4.5
70.06591	2.0
71.05002	0.9
71.08640	0.8
71.67947	0.7
72.08125	0.8
79.05487	7.9
81.03409	1.8
81.07060	32.0
83.08616	4.8
84.08140	5.3
85.06509	0.8
86.09731	0.6
90.51498	0.6
91.05478	9.6
93.07050	22.4
95.04968	1.6
95.08611	32.7
97.06515	1.2
97.10164	4.4
99.04455	1.4
103.05497	0.6
105.07032	20.4
107.08601	24.4
109.02856	3.5
109.06523	0.8
109.10162	22.2
110.07163	1.2
111.11720	1.2
117.07026	2.4
119.04921	1.8
119.08583	18.4
120.08098	0.7
121.06528	1.5
121.10147	26.4
123.11721	14.2
126.79863	0.7
127.03936	2.2
129.07022	1.3
131.08582	9.6
133.10135	21.8
135.08083	0.8
135.11699	14.8
137.09662	0.7
137.13284	4.3
143.08578	2.3
144.09352	0.6
145.09013	0.4
145.10114	12.6
147.11691	12.9
149.06021	0.6
149.13272	13.6
150.09036	0.8
151.14868	1.5
153.01820	2.8
157.10106	1.5
159.08101	0.9
159.11700	11.5
161.13264	14.4
163.14839	7.1
171.11720	1.6
172.12529	0.8
173.09483	0.7
173.13306	9.9
175.14830	15.9
177.16463	3.0
185.13257	1.2
187.14848	13.5
189.16400	13.8
190.17152	1.1
199.14877	1.7
201.16391	12.1
203.17975	1.1
213.01897	0.7
213.16400	1.7
214.17186	1.0
215.15907	1.0
215.17961	16.0
227.17990	1.0
228.18790	1.7
229.19514	6.3
235.17087	0.6
243.21126	1.1
271.06024	34.8
271.20746	3.0
271.24210	100.0
272.24603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.3
53.28296	0.9
55.01870	1.6
55.05519	9.9
57.03428	2.0
57.07081	4.9
60.10703	0.8
67.05183	1.3
67.05511	18.2
69.03447	7.5
69.07076	18.5
69.86575	4.3
70.06586	1.9
71.04987	3.6
73.02922	4.5
79.05500	8.3
80.20296	0.9
81.03426	13.1
81.06596	1.9
81.07064	28.5
83.04993	1.3
83.08620	5.8
84.08141	2.7
85.02910	3.7
85.06541	2.0
87.04470	1.3
91.05498	11.1
93.06502	1.2
93.07055	16.9
95.04980	2.0
95.08617	35.1
97.02905	6.9
97.06538	1.7
97.10158	4.3
98.97558	2.0
99.04461	12.0
103.03941	2.1
103.05493	1.6
105.07042	28.5
107.08603	23.7
109.02140	1.9
109.02892	38.6
109.10170	30.3
110.07266	0.8
111.11732	1.8
115.05467	1.2
117.07027	4.8
119.08594	28.9
121.06502	4.6
121.09334	1.8
121.10158	17.6
123.11710	8.7
127.03928	18.3
127.12293	1.1
130.07692	1.0
131.08591	9.9
133.10139	29.6
135.11707	10.6
137.13271	2.3
143.08578	2.1
145.04930	1.4
145.10127	15.0
146.10950	1.2
147.10532	1.0
147.11696	18.0
149.05971	3.2
149.13263	10.5
151.11209	3.0
157.10181	1.7
159.11723	15.8
161.13275	41.5
163.14859	10.7
165.06961	0.9
173.13301	11.6
175.14848	21.7
177.05466	2.7
177.16389	2.6
185.13251	0.9
187.14841	15.4
189.16406	21.2
200.15633	1.2
201.16400	14.6
203.18027	1.3
213.16371	0.8
215.17998	16.4
229.19548	3.7
243.21005	1.0
266.88510	0.9
271.07947	1.5
271.10403	1.7
271.24234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
51.52275	0.7
53.00220	0.6
53.03944	0.9
55.05509	7.9
57.07064	2.4
65.05515	0.7
65.89233	0.6
67.05172	1.1
67.05507	10.8
69.06726	1.0
69.07069	11.3
70.06587	0.7
70.81453	1.3
70.81786	1.4
71.08629	0.7
79.05493	8.1
81.07059	26.7
83.08609	4.3
84.08126	1.2
85.06562	0.8
91.05485	6.8
93.06483	1.3
93.07050	19.7
93.28397	0.7
95.08611	22.3
95.47632	0.7
97.10161	2.6
101.88062	0.6
105.07034	14.9
107.08601	20.3
109.06528	0.8
109.10161	19.6
111.11735	1.2
117.07033	3.9
119.08588	13.8
121.10143	21.7
123.11713	12.1
125.13276	1.4
128.06256	0.8
129.07010	0.8
131.08594	8.1
133.10132	18.0
135.11702	13.9
137.13210	3.6
145.10117	8.5
147.11699	10.9
149.13266	11.6
157.10126	1.1
158.11014	0.7
159.11703	9.8
161.13266	12.5
163.14825	5.7
171.11673	1.9
173.13245	7.6
175.14822	11.1
177.16502	1.4
185.13290	0.9
187.14830	11.0
189.16391	11.0
199.14851	1.9
201.16376	7.2
203.17958	1.2
214.17316	0.7
215.17964	11.4
227.17924	0.6
228.18794	1.4
229.19511	6.2
243.21191	1.2
271.06058	3.1
271.24216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2423
Annotation	Axerophthene
Peak:m/z	Relative Intensity
51.98025	0.4
53.03941	0.6
55.01873	0.6
55.05513	6.8
57.03442	0.5
57.07078	3.8
63.88634	0.5
65.03922	0.5
67.05180	0.7
67.05507	10.5
69.07071	14.1
70.06578	0.9
70.40282	1.1
70.40653	0.9
71.05001	2.5
71.08620	1.3
77.02243	0.4
79.05491	6.5
81.03397	1.1
81.06592	1.0
81.07059	18.5
83.04966	0.8
83.08625	6.3
84.08157	2.4
85.06535	1.8
91.05477	6.1
93.07050	12.4
95.04985	1.2
95.08609	28.3
97.06536	1.2
97.10162	2.1
98.97578	0.7
99.04484	0.7
103.05520	0.5
105.07034	12.4
105.74633	0.4
107.04966	1.0
107.08598	17.8
109.02860	1.7
109.10167	19.7
110.07185	1.0
111.08099	0.6
111.11711	1.1
113.14908	0.5
115.07537	0.6
117.07047	3.4
119.04949	0.9
119.08585	19.9
121.06461	0.6
121.10149	19.4
123.08010	0.7
123.11725	7.6
125.13216	0.6
127.03951	1.1
127.60268	0.4
129.06961	1.3
130.07834	0.7
131.04897	1.3
131.08580	7.6
133.10138	17.8
135.08066	0.7
135.11710	11.0
137.13269	4.1
141.06979	0.6
143.08565	1.7
144.09413	1.0
144.24611	0.6
145.09067	0.8
145.10129	12.7
146.10889	0.8
147.11697	11.2
149.13269	7.6
155.08551	0.7
157.10181	2.3
158.10870	0.9
158.94632	0.5
159.11699	14.3
161.09665	0.7
161.13268	12.1
163.14838	8.2
169.10075	0.6
170.10979	0.5
171.11684	2.0
172.12503	0.7
173.13272	12.7
174.14032	0.9
175.14825	13.5
177.16373	5.3
185.13226	0.9
186.13994	0.8
187.14822	15.4
188.15654	0.9
189.16386	8.7
190.17134	0.8
191.17982	0.7
199.14818	1.5
201.16389	12.9
202.17285	0.8
203.17921	0.9
211.14973	0.7
213.12782	0.5
213.16386	2.7
214.17175	0.8
215.17987	11.9
217.19597	0.8
217.26163	0.5
227.18010	1.4
228.18767	3.1
229.15857	0.7
229.19493	5.1
241.08644	0.5
241.19522	3.0
243.21132	1.0
253.08524	1.3
256.21841	1.6
271.06055	2.4
271.17203	3.1
271.24219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05505	4.6
57.07059	3.1
59.26591	1.2
62.93476	1.3
63.29897	1.3
63.82914	1.2
67.05508	15.3
69.07075	7.0
69.76289	6.4
79.05501	8.8
81.07059	36.1
82.69574	1.3
83.08617	3.0
84.02058	1.4
84.89271	1.2
85.06548	1.5
91.05481	8.8
93.07043	22.7
95.04913	1.9
95.08611	35.0
97.10142	2.2
98.17596	1.4
98.21459	1.9
105.07034	19.1
107.08605	22.7
109.06497	1.9
109.10157	18.0
117.07002	2.2
119.08578	16.0
121.10156	19.3
123.11694	9.4
131.08589	8.0
133.10136	12.9
135.11713	10.6
137.13281	1.7
145.10147	9.0
147.11678	14.0
149.13263	23.0
159.11690	9.6
161.13312	11.6
163.14833	8.5
173.13278	4.3
175.14822	15.6
177.16397	2.6
187.14807	13.8
189.16382	13.4
201.16403	12.2
203.18030	1.6
215.17958	22.8
224.30638	1.4
229.19470	2.0
271.06161	2.4
271.20892	3.8
271.24213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1906
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
53.03936	8.9
55.01876	11.9
55.05517	28.3
55.64699	2.1
57.03448	11.0
57.03689	2.5
57.07070	7.4
57.58155	2.2
59.04997	7.5
65.03941	6.2
67.05509	72.7
69.03428	6.3
69.07071	96.0
70.06581	4.6
70.70092	5.3
71.04996	79.4
73.02898	2.3
73.06535	5.8
79.05493	64.7
81.03413	8.3
81.07062	100.0
83.04983	25.2
83.08620	7.0
84.08153	19.0
85.02897	5.0
85.06548	99.7
87.04483	2.7
88.17916	2.1
91.04924	3.5
91.05487	49.3
93.07050	85.9
93.07646	4.3
95.04973	11.1
95.08617	60.2
97.02874	4.4
97.06534	50.2
98.97591	5.0
99.04465	22.2
99.08086	10.3
101.06017	12.3
103.05460	3.2
105.07038	49.0
107.04949	8.1
107.08598	40.6
109.02887	17.5
109.06522	17.3
109.10166	36.4
110.07188	3.4
111.08071	6.9
113.06020	14.4
115.05450	2.6
115.07577	20.4
117.07024	36.1
119.08582	42.0
121.06514	27.5
121.10136	31.4
123.08067	7.5
123.11720	7.2
124.07575	4.0
125.05978	3.0
127.03918	7.5
129.06989	11.2
130.07716	3.1
131.08578	38.8
133.06482	2.3
133.10144	40.2
134.06035	3.5
135.08109	12.2
135.11693	10.3
136.06229	3.0
136.07507	2.9
137.09663	14.1
139.07553	4.3
139.11215	3.8
142.07776	5.1
143.08549	16.5
145.06572	3.1
145.10144	14.6
147.08025	4.6
147.11710	21.5
148.07607	4.8
149.09589	4.6
149.13257	13.2
151.11179	10.2
153.41913	2.2
156.09283	2.8
157.10135	17.0
159.08054	3.3
159.11702	82.0
161.09659	10.6
161.13260	7.7
163.14856	3.5
165.12778	5.0
169.10077	3.3
171.11664	10.8
173.09760	2.5
173.13321	10.5
175.11145	5.0
175.14874	14.6
177.12769	21.4
181.10515	3.8
187.14835	5.5
189.12753	3.5
189.16380	4.5
190.11168	3.3
193.12288	4.0
193.15776	3.7
195.13808	6.5
196.05179	3.4
197.13150	2.9
199.14799	17.0
211.07516	5.2
213.05392	2.7
215.17932	4.4
217.12215	6.2
217.15935	14.8
228.07483	4.3
235.13313	8.4
235.16945	16.7
253.14178	3.1
253.18098	4.7
256.07120	5.0
259.35074	6.9
262.13263	2.6
271.05887	4.6
271.09680	14.5
271.14435	9.8
271.17606	6.0
271.20645	4.3
271.24176	30.8
289.15546	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	271.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28104	2.5
53.03934	4.5
55.01871	4.0
55.05511	15.1
56.05048	3.1
57.03424	5.0
57.07076	4.5
67.05510	27.3
69.03437	5.5
69.07068	24.2
69.16454	29.0
70.06585	6.6
71.04988	10.7
72.08146	2.7
76.10473	2.5
79.05504	18.2
81.03421	5.4
81.07058	48.0
83.04965	4.4
83.08614	8.7
84.08145	19.3
85.02917	5.2
85.06536	6.1
86.09698	3.3
91.05488	19.9
93.07044	30.5
95.04968	10.7
95.08610	40.8
97.06535	5.5
97.10194	4.7
98.97556	4.7
99.04451	6.1
105.07027	34.1
106.46303	2.7
107.04984	5.1
107.08595	31.9
109.02914	15.9
109.06563	2.9
109.10159	33.7
111.08083	6.5
117.07000	5.8
119.08595	29.6
121.06529	8.7
121.10152	22.6
123.11703	14.5
125.09615	4.3
127.03915	7.3
129.10239	3.6
131.08565	15.7
133.06525	4.6
133.10139	28.2
135.11719	14.3
137.13251	3.3
143.08537	3.7
145.10135	20.0
147.11719	25.6
149.13251	12.2
153.12703	4.9
157.10083	5.8
159.11691	24.4
161.13272	17.3
163.11224	2.6
163.14816	6.1
173.13281	15.5
175.14841	12.3
187.14841	11.7
189.16415	9.2
201.16399	10.4
215.17949	13.8
217.15797	4.9
229.19450	5.2
235.16972	6.3
259.35184	3.6
271.06091	8.1
271.10751	5.5
271.14490	5.8
271.17783	3.6
271.20868	6.4
271.24222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1905
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
53.03948	5.3
55.01865	8.4
55.05507	27.8
57.03426	7.3
57.07072	7.4
59.05010	6.0
65.03940	2.8
67.05506	73.3
69.03439	2.7
69.07071	97.5
69.86979	12.6
71.04996	96.3
73.06549	10.3
79.05495	69.1
80.52734	2.3
81.03422	3.4
81.07060	97.9
83.04985	22.4
83.08622	8.6
84.08151	7.1
85.06546	100.0
86.09715	3.3
88.71716	2.2
91.05486	48.4
93.07039	72.4
95.04960	9.9
95.08609	55.9
97.02922	2.4
97.06534	54.1
97.10159	2.6
99.04449	17.5
99.08124	11.0
101.06026	9.2
101.27562	2.3
105.07039	48.1
107.04956	6.8
107.08595	32.7
109.02859	5.8
109.06528	8.6
109.10172	16.1
111.08093	9.6
113.06009	19.8
115.07567	28.3
117.07021	29.8
119.07800	4.2
119.08596	38.9
121.06512	12.9
121.10142	25.7
123.08051	5.0
123.11700	4.8
127.03922	3.9
127.07528	4.8
128.06244	5.3
129.07024	8.4
130.07764	5.2
131.08566	47.7
133.06509	3.3
133.10153	31.3
135.08075	9.2
135.11722	11.6
137.09612	10.0
139.11185	7.5
142.07779	2.8
143.08606	14.8
144.09262	3.1
145.10172	12.5
147.08038	4.7
147.11713	12.3
147.69164	2.2
149.09636	5.5
149.13232	12.9
156.36143	2.4
157.10106	15.3
157.12163	2.4
159.11697	82.1
161.09627	10.3
161.13269	8.5
165.06998	2.7
171.11665	4.3
173.13252	8.5
175.11253	2.7
175.14848	10.9
177.12782	26.6
187.14890	2.7
189.16331	3.2
195.13889	7.3
197.13036	2.2
199.14862	16.4
207.17445	3.1
217.15828	13.2
235.17004	15.7
254.11769	5.6
257.19907	2.6
271.06073	9.1
271.09821	3.2
271.24164	20.3
279.06573	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	271.1442
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
50.12894	0.6
53.01097	0.8
55.05509	2.1
55.83172	0.7
56.05031	1.0
57.40404	0.8
64.72571	0.8
67.05513	3.9
69.07053	2.6
70.06585	1.2
71.52031	1.0
79.05488	2.9
81.07052	5.8
83.08627	1.1
84.08146	2.7
89.90866	0.7
91.05472	3.0
93.07039	3.8
94.06554	1.0
95.08598	3.6
96.08137	2.2
97.10173	0.8
105.07008	2.7
106.06557	2.6
107.08620	4.2
108.08123	9.3
109.10143	2.1
117.07015	1.2
119.08594	3.6
121.06536	0.8
121.10162	2.6
122.09636	1.3
131.08560	1.9
133.10132	3.6
134.06018	1.4
135.11745	1.8
136.07571	1.4
138.38002	0.8
143.08574	1.1
144.08109	1.2
145.10152	1.8
146.09645	1.0
147.11670	1.4
148.07516	1.0
149.06000	1.2
149.13310	1.2
154.06459	1.0
157.10139	3.0
158.06068	0.9
159.08022	2.7
159.09232	1.2
159.11707	1.6
161.13277	0.9
168.08041	4.9
168.09315	0.9
169.08842	2.9
169.10121	0.9
170.09680	1.1
171.11740	0.9
172.07600	2.0
173.13307	1.3
174.09082	1.4
175.14987	0.9
181.10284	1.0
182.09639	1.5
183.10451	6.7
183.11726	1.2
184.07742	1.0
184.11273	1.0
185.10767	1.0
186.09236	0.8
186.11511	1.8
187.14871	1.0
196.07608	3.4
197.08379	10.5
197.13333	1.1
198.09225	1.4
198.12834	6.5
199.08675	7.4
199.12360	1.2
204.49858	0.8
210.09116	2.3
210.11285	0.9
211.09927	12.2
212.09418	1.2
213.10263	12.1
214.10898	4.0
215.15492	4.8
215.17368	0.8
226.12282	28.1
227.08279	1.2
227.11790	19.0
228.12569	25.0
239.11736	0.9
241.09673	1.7
242.10478	1.7
243.14973	23.3
253.13377	3.7
254.11725	2.4
255.11304	23.1
256.12094	29.7
271.06094	7.1
271.14429	100.0
271.16864	3.6
271.20502	4.7
271.24051	7.2
272.14566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.0
52.78953	0.4
53.03712	0.8
53.03946	9.1
55.01860	0.7
55.05504	1.4
57.03426	1.4
57.07045	0.6
67.05518	2.2
69.03427	11.5
69.07061	1.7
69.44441	3.4
70.06590	0.9
71.04997	4.9
72.72521	0.4
73.02919	10.0
74.31151	0.4
75.03098	0.4
79.05491	1.7
81.03420	33.4
81.07049	3.8
83.01341	0.5
83.04974	0.8
83.08616	1.0
84.08154	1.3
85.02905	8.1
87.04481	2.3
90.61686	0.5
91.05470	1.5
93.07045	2.1
95.08610	2.4
97.02896	9.1
97.06529	0.8
98.20762	0.7
99.04455	25.6
103.03948	4.4
105.07025	1.8
106.99677	0.5
107.08596	1.6
109.02880	100.0
109.10184	1.7
110.03661	0.9
111.75072	0.4
117.07017	1.4
119.08586	2.0
121.06477	0.7
121.10172	1.6
127.03918	42.5
131.08517	0.6
133.10130	1.7
135.08046	0.7
135.11684	0.7
145.04919	2.5
145.10158	1.4
147.11685	1.7
149.13214	0.7
159.11674	1.6
161.13266	0.9
163.07565	1.1
169.05005	1.9
175.14871	1.0
181.10706	0.6
191.07083	1.4
209.08086	1.6
215.18098	0.9
235.06079	0.8
253.06990	1.2
271.08112	7.0
271.14346	0.7
271.17145	0.8
271.24286	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	271.0603
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.05499	0.1
65.03967	0.1
67.01869	1.3
68.99787	0.7
81.03433	0.1
81.07069	0.1
91.05481	1.1
95.08604	0.1
96.35410	0.1
97.02881	0.1
105.07012	0.1
107.08607	0.1
109.02889	0.1
110.83444	0.1
111.00810	0.1
119.04953	4.7
119.08602	0.1
121.02883	1.4
127.03939	0.1
129.01872	0.2
131.04953	0.1
133.14420	0.1
141.06934	0.2
143.01666	0.1
145.02843	1.2
148.79950	0.1
153.01840	9.5
155.04913	0.1
157.06447	0.1
163.03935	0.8
169.06490	0.2
171.02893	0.4
173.13332	0.1
175.14871	0.1
187.03943	0.2
197.05928	0.2
201.05537	0.1
203.07019	0.1
225.05516	0.5
229.04977	0.5
243.06525	0.6
247.06062	0.2
253.04950	0.1
271.06024	100.0
272.06360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1489
Annotation	1-Methyl-6-(1,2,3,4-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone
Peak:m/z	Relative Intensity
51.03842	0.6
52.15389	0.5
53.03935	1.8
57.07074	0.5
67.05531	0.7
69.07063	0.5
70.06594	1.2
71.52012	0.5
77.03926	1.0
77.51841	0.5
80.05015	4.4
81.07058	1.3
86.09708	0.6
88.07633	4.1
91.05489	9.4
93.07050	15.4
95.04971	1.9
95.08622	1.0
100.76386	0.6
103.05477	10.2
105.04510	1.5
105.07030	1.9
107.04944	2.0
115.96468	0.8
121.06513	100.0
122.09673	10.8
122.10495	1.1
127.98519	0.6
134.09659	0.8
150.09146	1.7
200.10757	1.8
213.12587	0.6
215.37321	0.6
242.15410	44.6
270.14905	13.7
270.17627	1.1
270.19754	1.1
270.23111	1.6
270.25131	0.8
270.27829	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	269.2266
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
51.02379	0.5
52.45927	0.5
53.03938	1.6
53.12133	0.5
53.25639	0.5
55.01875	1.3
55.05509	6.9
56.96553	0.7
57.03436	3.5
57.07072	2.1
59.05001	0.6
60.07159	0.5
65.03939	1.3
67.05505	20.6
68.05017	0.6
69.03416	0.7
69.07070	15.2
69.85925	2.3
70.06587	3.4
71.05009	3.4
71.08617	0.7
72.08138	0.6
74.06056	1.0
77.03939	0.8
79.05495	12.7
81.03422	1.2
81.07059	32.4
83.04972	2.6
83.08620	5.0
84.04501	0.9
84.08146	5.0
85.02903	0.9
85.06546	2.3
85.08435	0.7
85.56039	0.5
86.06043	0.5
86.09709	2.6
91.05485	14.2
93.07043	23.9
95.04984	2.8
95.08610	24.8
97.06531	3.8
97.10175	2.0
98.97010	0.5
98.97560	2.4
99.04469	1.0
99.08071	0.7
103.05448	0.7
105.04516	0.5
105.07036	23.1
107.04948	1.0
107.08596	19.7
109.02819	0.7
109.06527	2.7
109.10155	13.9
110.07164	2.0
111.08072	1.9
112.08762	0.6
115.05454	0.9
116.98633	1.5
117.07024	5.3
119.08585	18.5
120.08089	1.9
121.06515	3.2
121.10146	14.9
123.08081	0.7
123.11707	5.6
128.06238	1.4
129.07007	3.6
129.10242	2.0
131.08565	13.1
133.06516	1.0
133.10138	18.7
135.08047	1.5
135.11685	6.6
136.06192	0.7
137.09615	1.1
137.13242	1.4
141.07001	1.2
142.07753	1.9
143.08563	8.6
144.09370	1.1
145.06516	0.7
145.10123	18.3
146.46898	0.5
147.11687	11.1
149.09520	0.6
149.13278	9.1
155.08444	1.0
156.09325	1.9
156.13788	1.1
157.10130	13.1
158.10854	0.9
158.99664	0.8
159.11694	17.4
161.13266	11.6
163.11189	3.9
163.14821	1.4
164.21448	0.5
169.10097	1.1
170.10884	0.7
171.11688	11.6
173.09657	1.5
173.13263	12.3
175.11159	1.1
175.14786	6.3
177.12764	3.2
178.12001	0.5
181.12279	0.6
183.11702	1.1
184.12465	0.9
185.13254	9.7
187.11234	0.6
187.14810	8.5
189.16385	1.2
191.10667	1.9
195.13824	1.8
197.13229	1.4
199.14804	12.8
200.15657	2.4
201.16451	3.0
208.96234	0.6
211.14832	2.2
213.14375	1.0
213.16376	16.9
214.17110	1.1
215.17911	0.6
225.98880	0.5
226.14357	1.6
226.17145	1.9
227.17940	6.0
233.15312	0.8
241.19489	2.5
251.12595	0.6
251.16475	1.2
251.19986	0.7
254.20518	0.6
269.12863	1.6
269.18042	9.6
269.22641	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05518	0.6
58.06605	6.3
69.07084	0.4
69.70707	1.8
70.06586	0.4
71.01342	0.7
79.05483	0.4
81.07041	0.4
82.06584	1.2
84.04514	0.6
84.08156	2.0
86.06067	3.0
86.09702	0.5
91.05481	0.3
93.07037	0.5
94.06574	0.8
95.08611	0.6
96.08148	1.3
98.21548	0.3
107.08611	0.4
108.08096	0.4
110.07156	0.5
111.10497	0.6
112.06835	0.6
112.07613	8.4
112.11240	0.7
120.04482	0.5
120.08144	0.5
122.09677	1.2
123.08076	0.8
125.12025	0.8
126.12805	6.0
129.10243	0.6
136.11215	3.2
138.05542	0.6
138.12784	2.9
143.11859	0.3
150.12779	0.5
151.24213	0.3
154.12282	30.4
156.13850	47.3
164.14363	2.9
178.12291	6.1
178.13760	0.6
179.15413	0.4
182.15601	0.5
190.64981	0.3
196.13339	4.7
208.13318	3.2
216.10419	0.3
226.14391	100.0
227.14784	0.4
269.18619	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	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03933	5.1
55.01868	3.4
55.05514	22.8
57.03442	29.2
57.07069	4.3
60.52686	1.8
65.03928	2.2
67.05507	86.4
69.03416	2.0
69.07071	29.8
70.06573	2.6
70.66341	4.9
70.66712	1.9
71.04996	8.5
74.06097	2.0
79.05492	50.1
80.97639	1.7
81.07056	100.0
82.06531	1.8
83.04984	9.2
83.08623	22.6
84.08148	2.2
85.06547	8.8
89.06035	1.6
91.04993	2.5
91.05482	33.5
93.07043	74.0
95.04932	8.3
95.08080	2.4
95.08613	32.8
95.26728	1.8
96.04494	3.3
97.06538	21.2
97.10143	2.4
99.08070	4.7
101.84814	1.8
102.64529	1.9
105.04491	3.1
105.07021	11.5
107.04927	2.3
107.07905	2.0
107.08595	38.7
109.06490	3.6
109.10123	6.9
110.07160	1.9
111.08070	11.6
116.98444	2.9
117.07004	13.0
119.08553	4.6
121.06454	2.4
121.10143	22.5
123.11678	5.3
125.09665	2.0
130.99985	6.3
131.08594	18.3
133.10144	21.9
135.08025	2.7
135.11703	12.2
140.98421	4.9
142.99997	2.9
143.08504	2.9
149.09578	4.2
149.13255	49.2
151.11188	2.1
154.99942	2.4
156.13766	3.5
157.10077	3.8
159.11710	33.6
161.13164	4.1
161.98180	5.2
167.14255	1.9
170.99640	1.9
173.13251	1.8
174.98950	7.2
177.00461	1.9
177.12747	21.7
179.14261	4.5
185.01079	5.5
185.13217	2.1
189.00543	3.8
195.13780	20.0
199.02621	3.2
203.02087	6.6
226.14319	6.1
228.06918	2.2
269.04315	3.1
269.06924	5.4
269.17407	92.0
269.22559	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	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03938	3.7
55.01855	3.1
55.05272	1.3
55.05511	17.1
57.03160	1.1
57.03438	31.0
57.07059	3.3
65.03920	2.6
67.05505	75.1
69.03448	2.1
69.07068	26.6
69.56764	3.4
69.57178	2.0
70.06579	2.3
70.21117	0.9
71.04990	6.6
71.08614	1.0
73.02906	0.8
79.05496	42.8
81.03403	1.2
81.07058	100.0
83.04977	11.0
83.08166	1.2
83.08620	19.2
84.08135	2.3
85.02859	1.6
85.06539	5.6
91.04910	1.3
91.05483	30.1
93.07046	71.6
95.04985	5.9
95.08610	25.3
97.06527	15.2
97.10156	2.2
99.04454	1.1
99.08081	5.4
105.04503	1.2
105.07041	13.2
107.04991	1.2
107.07892	1.8
107.08596	34.2
109.06506	2.3
109.10156	6.0
111.08097	8.6
111.11698	1.0
112.12883	0.9
113.09647	1.2
117.07013	12.9
119.08590	5.6
121.06512	1.0
121.10148	22.3
123.08046	1.0
123.11693	4.1
125.09606	1.6
129.06927	1.2
131.08585	14.7
133.10143	15.1
135.08052	2.1
135.11684	15.5
137.09576	0.9
139.11153	1.6
143.08577	1.8
145.10083	3.2
147.08080	1.0
147.11647	3.1
149.09604	4.4
149.13263	39.8
151.11191	3.1
153.09087	1.6
157.10078	3.4
159.11694	32.3
161.13219	4.2
167.14337	1.5
171.11601	2.7
173.13240	2.0
175.14894	1.1
177.09146	1.8
177.12755	17.5
179.14279	3.7
181.10069	1.0
185.13251	2.5
187.14760	1.0
195.11876	1.3
195.13808	16.8
199.14832	1.1
203.14365	0.8
209.11560	1.3
213.14734	1.8
213.16481	2.1
223.20901	0.9
226.14359	2.0
227.14427	1.2
254.10463	1.1
269.17441	81.0
269.22568	10.2
270.18085	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Altiloxin A
Peak:m/z	Relative Intensity
53.03931	2.9
55.01857	2.5
55.05514	15.4
56.85669	0.6
57.03439	20.5
57.07071	3.1
65.03931	1.3
67.05505	56.5
69.03421	1.1
69.07066	22.0
69.30626	4.5
69.31035	1.7
71.04993	4.3
71.08611	0.9
77.03922	1.1
79.05495	33.5
81.03405	1.0
81.07057	74.0
83.04974	6.7
83.08164	0.9
83.08622	14.6
84.08132	2.9
85.02898	1.1
85.06557	4.0
91.04903	1.0
91.05480	23.2
93.07044	58.2
95.04987	4.7
95.08608	31.0
97.05920	1.0
97.06525	11.9
97.10157	2.2
99.04429	0.8
99.08086	3.0
105.04540	0.8
105.07027	21.9
107.08593	34.0
109.06490	2.2
109.09489	0.7
109.10162	9.6
109.14780	0.6
110.07115	0.7
111.07371	0.8
111.08081	7.5
111.11686	1.1
111.80659	0.5
113.05980	1.0
113.09629	0.8
115.05443	1.1
115.84054	0.6
117.06238	0.8
117.07014	10.5
119.08587	16.0
120.08076	0.7
121.06487	1.9
121.10142	23.9
123.08047	1.5
123.11691	4.6
127.07589	0.7
128.06171	1.3
129.06999	2.4
131.08574	19.4
133.10133	18.0
135.08101	1.4
135.10699	1.0
135.11694	12.8
137.13260	1.0
139.11148	1.4
142.07784	1.0
143.08578	8.0
144.09351	1.2
145.09074	1.1
145.10135	16.0
147.11696	10.2
149.09653	0.8
149.13260	33.5
151.11160	1.3
155.08562	1.0
156.09367	1.1
157.10149	9.3
158.10870	1.2
159.11696	35.6
161.13261	10.6
163.11157	0.7
163.14769	1.0
167.14314	1.0
169.10144	1.2
171.11687	8.2
173.13258	14.5
175.14816	5.6
177.12741	10.3
179.14262	1.7
183.11716	1.1
185.13280	7.5
187.14815	6.0
188.44785	1.0
189.16373	1.4
191.10640	0.7
195.11911	1.1
195.13795	11.6
196.12637	0.7
197.13278	0.8
199.14806	10.4
201.16351	2.0
211.14771	1.7
213.16396	16.1
226.14317	2.1
226.17065	0.8
227.17961	4.7
232.39790	0.7
241.19437	3.9
246.05037	1.9
246.79570	0.7
251.16422	0.8
269.08206	1.0
269.17468	53.4
269.22607	100.0
270.22845	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03936	4.6
55.01867	3.8
55.05279	1.8
55.05515	24.0
56.66670	1.1
56.96552	1.9
57.03440	35.4
57.07079	5.7
59.04995	1.0
63.16117	0.9
65.03930	1.4
67.05508	78.4
69.03402	1.6
69.07072	35.3
70.06577	2.6
71.04993	7.1
71.08549	2.7
73.02899	1.3
79.05496	44.9
81.03430	1.7
81.07059	100.0
83.04977	11.0
83.08623	17.3
84.08150	4.9
85.02891	1.2
85.06546	6.9
91.05481	24.8
93.07047	77.6
95.04970	6.8
95.08611	30.0
97.06532	15.5
97.10168	3.3
98.97590	7.6
99.04469	1.6
99.08107	4.7
101.05989	1.2
105.07039	16.0
107.04951	1.8
107.08598	42.9
109.06510	4.3
109.10159	8.8
110.07162	1.8
111.08096	10.2
111.11691	1.0
113.06013	1.1
113.09647	1.9
116.98628	1.5
117.07017	11.1
119.07844	1.0
119.08600	12.4
120.08069	2.1
121.06498	3.7
121.10150	31.3
123.08086	1.8
123.11708	5.9
125.09612	2.3
127.07558	1.9
128.06194	1.2
129.07042	2.4
131.08580	11.6
133.10146	11.7
135.08020	3.6
135.11697	14.0
136.07596	1.3
139.11176	3.5
142.07764	1.5
143.08583	3.6
144.09274	1.1
145.10109	6.8
147.11713	6.5
149.09583	1.5
149.13263	51.7
151.11151	2.0
153.09097	1.2
155.08530	1.6
156.09280	1.0
157.10133	5.8
158.99667	1.8
159.11702	26.1
161.13283	5.8
163.11148	1.7
165.12738	1.1
167.14333	1.3
171.11717	5.2
173.13260	7.1
175.14841	4.2
177.12769	11.0
185.13231	5.5
187.11124	1.1
187.14807	2.9
191.10651	1.5
195.13803	18.0
199.14798	4.2
201.16367	1.3
213.14639	1.3
213.16498	7.2
226.14496	2.1
227.17973	2.5
233.11871	1.4
233.15382	1.3
239.10962	1.3
241.19485	1.5
248.11650	2.0
248.61913	2.7
251.16513	1.2
269.17477	68.3
269.22571	40.4
269.25610	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1752
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03940	2.7
55.01855	4.0
55.05275	1.6
55.05512	20.8
56.05037	2.5
56.96555	3.1
57.03439	26.3
57.07056	5.7
58.06584	1.2
59.04996	2.6
60.04520	1.1
60.05656	2.4
65.03931	3.7
65.05186	1.1
65.43370	1.2
67.05510	69.0
69.03422	7.2
69.07071	30.9
70.06600	9.1
71.04996	9.5
71.08608	1.9
71.52235	2.3
72.08160	1.3
73.02898	2.4
77.03907	1.5
79.05496	42.7
81.03421	2.7
81.07063	100.0
83.04975	11.0
83.08623	18.2
84.08144	11.5
85.02900	1.7
85.06537	6.6
86.09690	3.7
87.04491	1.9
91.04922	1.3
91.05482	30.7
93.07050	74.1
95.04980	10.4
95.08614	43.7
97.06529	17.4
97.10165	2.6
98.97594	15.6
99.04442	2.8
99.08073	4.1
101.06022	1.5
105.06416	2.2
105.07036	28.1
107.04955	2.9
107.08599	50.8
109.06544	6.2
109.09489	1.4
109.10162	20.0
110.07151	5.0
110.97530	1.6
111.08103	10.8
112.07634	1.4
113.05972	1.6
113.09612	1.6
115.05408	1.7
115.07378	1.2
116.98603	5.7
117.07030	15.6
119.07830	1.6
119.08594	24.9
120.08099	4.1
121.06510	8.1
121.10150	37.6
123.08054	4.6
123.11713	7.5
125.09597	2.6
128.06194	2.5
129.06981	3.7
129.10193	3.0
130.07753	2.0
131.08575	20.0
133.10149	23.0
135.08040	5.7
135.11694	15.2
136.07524	2.2
137.05928	1.4
137.09618	2.7
139.11145	3.0
141.09126	1.5
142.07797	3.1
143.08589	9.2
145.10136	20.5
147.08125	1.6
147.11717	15.0
149.09610	4.1
149.13261	45.2
150.84219	1.4
151.11162	3.8
153.09029	2.5
154.12186	2.3
156.09312	1.8
156.13820	2.7
157.10121	13.4
158.10764	1.8
158.99635	5.0
159.07968	1.6
159.11699	37.5
161.13290	7.8
163.07558	1.6
163.11174	10.8
167.10623	1.6
169.10095	2.5
170.10789	1.4
171.11693	10.4
173.09578	2.3
173.13263	13.1
175.11183	1.8
175.14793	5.3
177.00664	4.2
177.12737	12.5
179.14278	2.1
181.12164	4.7
183.11597	1.9
185.13231	6.9
187.14839	9.8
189.16357	2.3
191.10686	8.3
191.14281	2.3
193.12135	1.6
195.13800	16.0
199.14821	10.5
211.14844	2.5
213.14665	1.4
213.16422	11.6
215.14302	3.6
218.41815	1.3
226.14362	5.6
227.17891	3.7
233.15343	7.6
241.19518	3.0
248.11693	10.7
248.61848	4.3
251.12560	2.0
251.16457	4.6
254.34360	2.2
260.34421	1.9
268.63016	1.8
269.13217	6.6
269.17450	55.8
269.22595	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03928	3.4
55.01856	4.1
55.05515	19.5
56.21806	0.9
56.96527	1.0
57.03440	28.6
57.07084	4.5
57.07305	0.9
65.03920	2.0
67.05507	75.5
69.03409	1.7
69.07067	27.7
70.06596	1.9
70.64611	2.4
71.04994	6.7
71.08601	1.3
79.05495	44.5
81.03399	2.1
81.07060	100.0
83.04993	10.6
83.08621	16.5
84.08134	1.9
85.06544	6.3
91.05486	30.3
93.07050	70.7
95.04975	6.7
95.08614	28.4
97.06537	16.3
97.10175	2.0
98.21449	1.3
99.04432	1.2
99.08082	6.9
103.03919	1.3
105.07018	12.3
107.08599	35.1
109.06485	3.6
109.10163	7.6
110.07162	1.1
111.08081	9.6
113.05994	1.3
113.09653	2.0
117.07014	13.7
119.08572	5.2
121.06506	1.6
121.10146	18.1
123.08016	1.4
123.11736	4.8
125.09614	1.2
129.06964	1.1
131.07771	1.2
131.08588	16.7
133.10146	17.8
135.08025	2.8
135.11700	12.9
139.11162	2.2
143.08559	1.8
145.10123	2.3
147.11649	1.5
149.09616	1.4
149.13261	44.0
151.11108	2.5
155.08424	1.5
156.13698	1.1
157.10097	2.9
159.11703	30.8
161.13257	4.3
163.71074	1.1
165.07002	1.1
169.10147	1.0
171.11618	2.1
173.13107	1.4
177.11478	1.1
177.12767	15.9
179.14249	3.6
185.13307	1.1
187.14822	1.0
195.11957	1.7
195.13811	18.6
213.12752	1.1
213.14702	2.0
213.16502	1.5
226.14346	3.3
252.66913	1.0
266.52243	0.9
269.17422	83.9
269.22519	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03916	4.0
55.01847	1.7
55.05516	18.4
55.05767	2.1
57.03439	28.0
57.07041	3.7
59.04969	1.7
61.62718	0.9
65.03925	2.2
67.05508	72.5
67.05842	2.6
69.03394	2.2
69.07072	31.7
70.06541	4.2
71.04988	6.6
71.08627	1.1
71.52142	1.4
73.02895	1.2
79.05497	36.4
81.03391	1.8
81.07060	100.0
81.07517	3.7
83.04992	9.1
83.08622	20.0
84.08095	4.7
85.06555	5.2
86.09676	2.2
89.06003	1.3
91.05484	30.0
93.07047	71.5
95.04964	10.1
95.08612	29.8
97.06538	17.0
97.10123	2.9
99.04396	2.5
99.08086	4.8
103.05392	1.4
105.04498	1.6
105.07036	18.5
107.04912	1.4
107.08603	38.6
109.06459	4.6
109.10153	8.3
110.07084	1.4
111.08099	9.7
117.07000	11.0
119.08585	13.0
121.06525	10.0
121.10149	21.4
123.08053	1.7
123.11697	5.1
127.03914	6.2
128.06166	1.2
129.06940	2.1
130.07727	1.1
131.08569	23.2
133.10147	18.9
135.07991	2.3
135.11690	15.1
139.07494	1.2
139.11093	2.6
142.07727	2.4
143.08594	7.7
145.10126	11.5
147.07980	1.3
147.11667	6.3
149.09625	1.7
149.13263	44.2
151.11082	1.7
155.08412	1.2
156.09273	1.9
156.13730	1.2
157.10162	8.0
158.10927	1.3
159.11710	30.3
161.13264	4.8
169.10013	2.9
170.10744	1.1
171.11717	8.1
173.13264	8.1
175.14749	2.6
177.10992	3.4
177.12639	13.9
179.14218	1.6
181.10031	1.7
182.10782	1.7
183.11588	1.8
184.12340	1.1
185.09560	1.3
185.13254	9.4
186.13948	1.9
187.14682	4.7
193.10135	1.0
195.11722	2.6
195.13779	17.0
196.12299	1.1
197.13033	1.3
199.14795	5.6
205.10364	3.9
207.11523	1.6
209.13213	2.7
211.14653	2.1
212.67189	1.1
213.12711	2.4
213.14526	2.0
213.16292	3.9
221.13118	1.4
225.16199	1.4
226.14160	3.3
226.16310	1.1
227.17796	1.4
241.19337	1.8
269.17282	66.1
269.22400	28.2
274.84448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1387
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
53.03932	3.3
55.01865	5.6
55.05517	19.4
57.03434	10.2
57.07064	4.7
61.02919	3.0
67.05512	42.3
69.03432	21.6
69.07076	23.6
70.06577	6.6
70.84407	3.1
70.84734	1.9
71.04999	15.2
71.08635	1.6
79.05499	42.6
81.03416	5.5
81.07062	85.0
83.04991	11.3
83.08614	9.4
84.08141	7.6
85.02902	3.3
85.06529	4.9
86.09716	2.6
87.04452	3.0
91.04984	2.5
91.05488	29.7
93.07053	90.5
95.04983	23.9
95.08611	32.6
97.06542	11.2
97.10181	4.2
99.04465	26.0
100.11261	7.4
101.06029	1.9
105.07038	67.6
107.04986	3.2
107.08602	94.5
109.06517	16.5
109.10161	25.2
111.04427	2.3
111.08095	11.1
111.11738	1.9
112.43376	1.6
115.05462	2.2
117.07035	17.5
119.08594	39.3
120.08089	1.8
121.06515	31.3
121.10152	87.3
123.08101	8.1
123.11707	9.7
125.06016	1.9
125.09642	5.4
129.07018	3.1
129.10181	2.1
130.07758	2.4
131.08580	29.5
133.06447	5.0
133.10141	19.9
135.07098	2.8
135.08072	25.1
135.11700	30.0
137.09634	4.1
137.13174	2.3
139.07520	1.9
139.11137	2.2
143.08588	11.5
145.10133	64.1
147.08043	3.4
147.11697	32.1
148.07556	1.8
149.05981	2.5
149.09651	12.6
149.13255	17.4
151.07541	4.4
151.11197	8.5
153.09128	7.7
155.08568	2.9
157.10121	8.3
159.11708	18.0
161.09654	2.3
161.13264	12.6
163.11198	100.0
163.14799	6.8
167.10664	3.7
170.10941	1.9
171.11655	9.9
173.09654	12.0
173.13264	17.8
175.07460	2.2
175.14819	3.7
177.12762	6.0
179.14244	3.6
181.12236	23.5
184.16884	2.0
185.13229	8.1
185.16472	4.7
187.11176	2.6
187.14827	5.4
191.10690	77.6
191.14285	23.8
193.08656	4.1
195.11879	1.6
195.13770	3.8
197.13272	1.9
199.14857	8.4
205.12224	3.5
209.11731	16.6
209.15347	17.6
211.09773	2.8
213.16444	11.2
215.10638	1.7
215.14500	1.9
221.15334	1.8
223.13231	2.0
226.14444	5.4
227.12836	10.6
227.16167	9.6
233.11705	3.1
233.15324	5.5
237.07928	1.8
241.19547	2.2
251.12787	3.9
251.16483	4.1
269.08136	2.3
269.13443	3.3
269.14307	3.0
269.17441	28.5
269.22614	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31662	0.3
50.50888	0.3
51.18530	0.3
53.03956	0.5
55.01882	0.8
55.05512	0.9
56.05040	1.5
56.25467	0.3
56.96567	3.1
57.03440	0.9
58.06605	4.2
60.04527	0.8
60.95873	0.4
61.02938	0.7
67.05506	1.2
68.05028	0.6
69.03424	1.8
69.07076	0.4
69.43562	0.3
70.06590	4.1
70.98135	0.6
71.02275	0.4
71.02637	0.6
71.04996	1.4
71.06932	0.3
72.08169	1.3
73.02930	1.0
74.06077	0.5
75.09242	0.8
76.07191	0.3
79.05489	1.2
80.05014	1.4
81.03429	0.7
81.07069	1.2
82.06615	0.8
83.05008	0.5
83.08649	0.3
84.04503	1.8
84.08147	4.3
84.64692	0.3
85.02905	4.2
85.04871	0.3
86.09715	2.1
87.04473	0.5
88.04008	0.3
89.06036	8.5
91.05450	1.4
92.92034	0.3
93.07061	1.4
94.04094	0.4
94.06569	12.0
95.04980	0.3
95.08604	1.5
96.04487	0.7
96.08134	0.4
97.02877	1.7
98.09713	0.5
98.97592	1.3
99.04446	0.4
102.05575	0.3
103.05496	0.4
105.07053	0.9
106.05087	0.3
106.06554	1.2
107.04887	0.4
107.08606	1.1
108.08122	0.6
109.02870	0.3
110.07162	1.3
110.09668	0.4
111.09210	1.5
112.08759	0.8
112.11267	1.4
114.05534	12.7
115.08714	0.4
116.98587	0.5
119.03552	0.9
119.08564	0.6
120.08113	5.1
121.06498	1.8
121.08440	2.7
121.10201	0.4
122.06059	0.6
122.06814	1.5
122.09674	1.4
123.08076	1.0
123.09225	0.5
124.11238	1.0
127.03926	1.0
129.09424	0.4
129.10233	2.4
130.05013	0.4
130.08667	0.3
131.08553	0.4
133.10117	0.7
134.06035	0.5
134.09650	0.8
136.06189	100.0
136.11218	12.0
137.04576	0.4
137.09665	0.3
138.12769	0.4
145.04979	1.4
147.08043	0.3
148.94283	0.3
149.09641	0.4
150.05528	0.5
150.12791	1.3
151.05858	0.5
152.00188	0.3
152.05669	0.3
152.06992	0.4
155.00136	0.5
155.15462	0.6
158.99673	0.4
159.54532	0.3
162.05482	0.3
162.12776	9.1
163.06023	0.3
164.10675	0.8
165.10287	0.4
166.12222	0.6
166.53619	0.9
167.07025	0.7
177.07860	0.5
178.12256	1.2
179.15442	3.4
180.08400	0.3
180.13689	0.4
186.00719	0.4
189.14619	0.4
190.12302	0.5
194.11771	1.2
195.14857	0.4
204.10457	0.3
206.11723	2.1
206.17340	0.6
207.14919	10.3
208.13350	0.6
219.01743	0.7
223.04704	0.6
223.18011	0.7
225.15981	35.9
226.03653	0.4
233.16505	0.8
244.04662	0.6
244.99522	0.3
250.14349	0.7
251.11131	0.4
251.17511	1.4
263.00803	0.3
268.04422	1.1
268.10358	7.6
268.17310	3.8
268.20154	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1183
Annotation	2-Hydroxyethyl gardenamide A
Peak:m/z	Relative Intensity
53.03948	0.5
57.03441	1.5
70.06580	0.3
77.03978	0.3
84.08140	0.3
85.02911	15.9
91.05487	2.1
93.07050	4.4
95.04960	0.4
103.03979	0.3
103.05466	2.6
114.58337	0.2
119.58849	0.2
121.06512	100.0
125.10781	0.2
126.20522	0.2
130.05028	0.6
131.03409	0.6
136.06190	0.8
138.09148	20.5
141.89252	0.2
156.13815	0.3
204.10202	3.3
222.11267	28.4
226.14470	0.3
243.02220	0.2
250.10809	0.6
258.98602	0.2
268.11819	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	268.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01869	0.8
56.96565	1.1
57.03448	2.1
59.04984	0.5
61.02927	2.7
65.13122	0.4
67.05492	0.4
69.03430	4.9
69.62223	2.6
70.06593	1.7
70.41573	0.4
71.04999	8.7
73.02920	1.1
78.12697	0.4
78.19852	0.4
81.03409	1.8
84.08145	1.3
85.02911	24.9
86.09686	0.7
87.04475	1.1
89.06036	52.9
91.03955	1.9
93.22261	0.4
97.02901	5.0
98.21493	0.9
98.97592	0.8
99.04481	1.1
104.05756	0.5
109.02888	1.4
110.07151	0.6
112.07619	0.8
119.04964	0.4
120.06596	0.6
120.08108	6.4
121.06528	1.8
121.08442	8.0
122.06844	0.7
126.05454	0.5
127.03932	4.9
136.06195	100.0
145.04970	9.2
150.05544	0.6
151.05916	0.5
158.94154	0.5
163.06085	2.9
206.11902	0.4
268.10440	7.7
268.13446	0.7
274.08487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.2
55.05517	0.6
56.05037	0.3
57.03434	0.3
57.07090	0.2
67.05525	0.2
68.62147	0.2
69.03438	0.2
69.07084	0.5
69.46047	1.2
70.06604	1.8
70.34067	0.2
72.08150	0.8
79.05506	0.7
81.07063	3.1
82.67033	0.2
84.04507	0.6
84.08146	3.9
85.02923	0.9
85.08479	0.3
86.09716	2.5
90.03441	0.8
90.37862	0.2
91.05473	0.6
93.07055	0.6
95.04978	0.3
96.04517	0.2
97.02925	0.2
98.09698	0.2
99.00018	0.5
103.05503	0.6
105.07063	0.2
107.08598	0.2
109.05136	0.8
110.03536	3.7
110.07148	0.4
112.08715	0.3
120.08109	3.8
121.06506	4.0
126.01081	15.2
128.02621	0.7
128.04579	1.1
129.10229	1.7
130.05029	0.2
130.08621	0.4
135.03036	6.2
135.04083	0.3
136.06207	1.6
136.07613	0.4
138.09143	1.3
144.02133	0.3
145.10167	0.2
147.04393	0.6
147.11307	0.3
152.05684	100.0
153.04086	6.7
153.05946	0.2
185.10051	0.2
204.10228	0.2
222.11191	1.2
225.15936	0.5
233.09009	0.3
233.16516	0.2
250.10722	0.3
250.12958	2.9
268.04108	1.5
268.11829	0.9
268.14053	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1043
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.03965	0.2
55.01869	0.5
56.96571	0.7
57.03431	0.8
61.02928	0.5
69.03432	0.9
70.06590	0.6
70.41339	0.5
70.41692	0.2
70.98116	0.2
71.01386	0.2
71.04993	1.1
72.08152	0.3
73.02929	0.5
78.05045	0.2
81.03419	0.3
81.07077	0.1
84.04504	0.2
84.08147	0.6
85.02913	3.6
86.09702	0.5
87.04448	0.2
89.06037	7.4
91.03954	0.3
92.02518	0.2
94.04079	0.2
97.02919	1.4
98.97594	0.5
104.05794	0.2
109.02886	0.2
110.07172	0.2
112.07648	0.2
119.03560	0.7
120.08102	2.8
121.06510	0.7
121.08456	3.9
122.06902	0.5
127.03928	0.7
128.98634	0.2
129.10280	0.2
130.08633	0.4
133.04941	0.2
136.06195	100.0
137.04602	0.3
139.09419	0.1
145.04987	1.7
155.00177	0.2
156.03365	0.3
163.06033	0.5
174.04459	0.2
186.04422	0.2
188.67023	0.2
195.43745	0.1
204.05626	0.2
206.11812	0.3
219.01688	0.2
245.05266	0.2
250.12695	0.2
264.48184	0.1
267.57266	0.2
268.10431	7.7
268.13644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2068
Annotation	(-)-Pohakuline
Peak:m/z	Relative Intensity
53.03944	0.7
55.01886	0.6
55.05513	5.0
55.99620	0.4
57.03437	1.3
58.06604	4.2
59.42624	0.3
61.06653	0.4
61.39394	0.3
67.05509	3.9
68.05020	1.1
69.03412	0.5
69.07072	2.2
70.06601	0.8
71.05003	0.5
71.51638	0.3
71.52024	0.5
79.05492	2.9
80.05020	5.0
81.03419	5.6
81.07059	5.8
82.06584	18.7
83.04990	0.9
83.08634	2.2
84.08159	1.3
85.06553	0.7
86.09681	0.6
87.04490	0.4
91.05489	3.0
93.07047	3.0
94.06577	3.8
95.04993	1.2
95.07366	1.5
95.08610	4.4
96.08126	3.4
97.06523	0.5
97.08912	1.2
97.10166	0.9
98.09674	0.4
98.97594	1.3
105.07034	2.9
106.06570	0.5
107.04958	0.5
107.07362	0.7
107.08614	2.2
108.08122	13.1
109.06546	0.7
109.10183	1.9
110.09688	2.1
110.10329	0.3
111.08092	0.5
117.07000	0.6
119.08582	3.2
120.08105	10.1
121.06526	0.8
121.08922	0.3
121.10146	1.9
122.07166	1.4
122.09669	2.1
123.08050	0.4
123.10469	0.8
123.11723	0.5
125.05951	0.3
127.07610	0.4
129.07024	0.7
131.08591	1.5
133.06645	0.3
133.10158	1.7
134.09627	0.5
135.11697	0.7
143.08554	0.9
145.10132	1.4
147.08076	0.4
147.11684	1.6
149.09564	0.5
155.08565	0.7
157.10117	1.7
158.99739	0.7
159.11703	1.5
161.13327	0.4
168.09444	0.3
169.10126	1.1
171.11652	0.6
172.78944	0.3
173.13298	0.8
175.11200	0.6
178.15862	0.7
183.07024	0.3
183.11720	0.9
185.13449	0.3
188.14325	0.5
192.13831	1.1
193.12245	1.4
197.13284	1.6
206.15430	2.9
209.07919	0.7
210.14874	1.3
211.14830	1.8
222.14655	0.4
224.16460	100.0
225.16551	1.0
231.13861	0.4
232.16954	7.2
245.10394	0.8
249.11142	0.5
249.14653	0.6
249.19687	4.1
250.18040	12.9
267.12015	8.3
267.15930	5.5
267.20700	88.8
268.21106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04984	1.9
56.05044	2.7
56.96554	5.9
66.57901	1.8
69.95853	7.4
72.08153	2.0
84.04511	23.4
84.08140	3.9
87.05730	1.8
89.65598	1.7
91.05487	2.4
93.07033	5.5
98.21519	2.7
98.97573	4.8
102.05546	2.0
103.05472	2.5
120.08113	27.4
121.06513	100.0
122.07143	3.3
129.10175	1.8
130.05002	16.1
138.09155	20.8
150.05540	9.6
177.04178	2.4
200.04684	1.8
207.08768	3.3
221.12805	5.9
249.02805	2.6
250.10770	14.1
267.02664	89.3
267.07364	3.6
267.10638	7.6
267.13428	19.4
267.16293	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	267.134
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
56.04832	0.3
56.05046	2.8
57.03436	0.5
58.06593	0.3
59.88799	0.3
67.68826	0.3
70.69173	1.0
74.06087	13.3
79.25735	0.4
84.04510	23.5
84.76611	0.3
85.02930	0.5
91.05476	1.7
93.07056	4.6
95.04992	0.3
102.05531	0.5
103.05464	3.1
120.08111	7.1
121.06512	100.0
126.89930	0.3
130.05011	13.2
138.09152	18.7
139.40895	0.4
166.08653	6.0
188.05330	0.4
221.12888	6.0
249.12590	0.6
250.10773	15.5
267.13437	17.3
267.16980	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	266.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
57.03447	0.3
59.05007	0.9
61.02935	1.2
69.45052	0.2
70.06597	0.8
70.69547	0.3
70.69877	0.3
71.04996	1.9
72.08162	0.4
78.16496	0.2
79.05509	0.8
81.07063	3.3
84.04501	0.5
84.08155	0.5
86.09724	0.8
87.08107	0.3
91.05502	0.5
91.30567	0.1
94.04077	1.3
95.00243	0.1
103.05460	0.2
110.07182	0.3
113.09604	0.2
119.03560	2.5
120.08186	0.2
121.06516	2.3
126.98421	0.2
130.05045	0.2
136.06195	100.0
137.04565	0.9
137.06590	0.3
148.06042	0.2
150.07825	0.3
162.07811	0.2
170.19165	0.2
220.09958	0.2
234.13513	18.2
248.09113	0.3
266.16122	56.3
267.16342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30405	1.0
53.03942	1.2
55.01861	3.8
55.05515	8.0
56.05039	14.6
56.96555	2.8
57.03420	1.9
58.06356	1.1
58.06607	15.3
60.04531	4.6
60.05637	3.0
67.05482	3.9
68.05026	1.6
69.03418	3.0
69.06734	1.0
69.07068	10.5
70.06598	29.3
71.04962	2.2
71.06911	2.0
71.51053	0.9
71.71709	0.9
72.08160	46.0
73.08466	1.0
74.06081	13.1
75.08870	1.1
75.09248	15.7
76.11287	0.9
79.05476	3.3
80.05005	3.1
81.04533	4.2
81.07045	2.3
82.04876	1.8
82.06570	1.7
83.01316	2.2
84.03994	1.2
84.04508	25.7
84.08147	43.3
85.02913	6.4
85.06540	2.2
85.07670	2.9
85.08485	1.5
86.09715	34.1
87.10046	1.5
88.04008	5.4
90.05580	1.0
91.05493	10.8
93.07044	6.5
94.06578	4.4
95.04961	2.0
96.04472	2.4
97.02874	3.2
97.06516	3.8
98.06043	4.2
98.97587	5.6
101.10756	1.6
102.05511	3.1
103.05460	4.6
105.07030	3.6
106.06548	4.1
107.04951	2.5
107.08588	1.8
108.08112	2.1
109.10165	3.1
110.03533	1.9
110.06052	2.3
110.07178	6.2
110.09692	8.9
111.04436	1.5
112.08717	4.1
113.07122	2.2
114.05532	1.2
115.08741	1.1
116.98601	2.5
117.05733	1.5
117.06960	1.2
118.06553	5.2
119.04924	3.3
119.08570	2.5
120.08106	18.7
121.06512	85.0
122.06043	2.6
122.07162	17.7
122.08884	1.4
122.09671	18.1
122.72941	0.9
123.04359	1.1
123.06629	4.6
123.07550	12.5
124.07580	1.6
127.08664	1.1
127.11196	1.7
129.07014	2.5
129.10251	28.9
130.05009	13.0
130.08650	1.4
131.07314	2.7
131.08556	1.0
132.08061	3.1
132.10173	1.9
134.06015	3.5
134.09642	3.3
134.99667	1.0
135.03030	3.9
135.04428	1.2
135.06834	1.4
135.09163	1.2
136.06134	2.4
136.07570	7.5
136.11237	2.6
137.06013	7.8
138.05507	9.2
138.09135	12.1
139.08662	4.1
140.07030	2.2
141.10229	1.1
143.11757	1.4
144.04796	5.1
144.08107	2.3
145.05194	5.6
146.06009	4.0
146.09648	13.5
147.04420	2.8
147.07996	1.3
147.11331	1.5
148.06131	1.0
148.07584	4.1
148.11211	9.1
150.05490	4.7
151.06270	3.6
151.08678	3.4
152.05687	100.0
153.04108	7.3
153.07834	1.2
155.08185	1.2
158.09515	1.4
158.53908	4.0
159.06892	1.0
159.08325	4.6
160.07594	1.2
160.11215	9.3
162.07704	1.2
162.09027	1.7
162.12782	5.0
164.07076	1.6
164.10722	24.1
164.12007	2.0
166.08623	4.3
167.54411	2.0
168.06577	16.8
168.10194	3.8
169.07339	1.3
169.09689	2.7
174.09145	23.5
175.12317	26.3
176.10715	30.4
177.09297	3.2
177.13884	64.4
178.05003	1.3
184.10750	0.9
186.12772	6.4
188.10721	9.2
192.10196	25.8
193.09657	1.2
193.13359	8.4
194.11787	2.0
195.11354	1.4
197.10280	1.2
199.98238	0.9
202.08662	6.3
202.12346	2.2
203.07019	1.4
203.15509	1.9
204.10193	15.6
205.13380	8.0
205.16850	1.0
206.11716	1.5
213.13831	1.1
214.12343	4.0
219.01651	1.1
219.06607	1.1
219.14867	4.4
221.08267	1.4
221.12862	4.0
223.14409	4.6
226.11867	1.2
230.08195	2.1
230.12280	0.9
230.15036	4.6
231.06534	1.8
231.14937	64.2
236.09203	1.6
236.17645	1.9
240.13795	0.9
242.03264	1.2
248.09238	6.9
248.13318	5.5
248.17650	15.1
249.07561	8.3
249.12148	1.1
249.16113	2.1
250.10754	13.8
265.67343	1.5
266.10123	9.2
266.12527	26.8
266.18619	69.2
267.13458	10.5
267.16809	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	266.036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21550	0.1
66.85907	0.1
69.98357	0.5
70.34068	0.1
82.07269	0.2
82.99841	1.0
84.08135	0.4
98.97582	0.3
101.00886	6.5
116.98814	0.3
119.01920	6.9
134.99886	0.3
137.02953	0.6
140.98822	1.8
158.99902	4.8
165.99614	0.2
175.03044	0.4
177.00957	15.7
178.00966	0.2
179.01208	0.2
181.01929	0.1
182.99835	1.3
193.04147	0.2
199.03000	0.4
201.00917	4.1
201.02435	0.3
217.04085	2.6
219.02011	20.8
219.94463	0.4
220.02167	0.6
221.02383	0.1
225.00854	2.4
234.00658	0.5
242.03607	0.4
242.96294	0.4
243.01988	14.3
244.02107	0.2
261.03064	100.0
262.03162	0.9
263.03494	0.4
266.00385	0.3
266.03427	0.4
284.04660	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	266.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.2
57.03434	2.8
60.04533	1.2
69.03430	2.4
70.06591	7.2
71.04981	3.7
71.08624	3.4
72.08156	3.2
76.88981	1.0
79.05502	4.2
80.77433	1.1
81.07058	22.4
83.04993	6.2
83.08605	4.6
84.04516	1.8
84.08156	5.4
85.06544	3.3
86.09720	8.4
87.00832	100.0
91.05462	1.2
98.06012	1.1
99.08080	9.5
101.06032	2.8
105.01869	76.1
105.77621	1.1
109.06509	16.8
110.07147	1.5
112.85871	1.0
114.17909	1.3
117.09138	4.0
120.08076	1.6
121.06516	6.7
122.07170	2.3
123.07533	1.8
127.07552	36.6
127.08493	2.6
129.10237	1.4
136.07649	1.6
138.05495	2.6
140.53674	1.2
144.12868	1.2
145.08638	6.1
149.46579	1.2
150.05542	2.9
150.09155	2.8
151.06282	1.5
152.05663	3.3
162.07755	3.1
168.06532	7.0
170.29260	1.3
189.09145	1.8
203.09081	8.5
208.09814	1.4
210.00914	1.1
228.98183	1.3
231.08640	99.5
262.77994	1.4
266.13919	3.7
266.18042	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1803
Annotation	Speciosin K
Peak:m/z	Relative Intensity
53.03947	5.4
55.01876	14.8
55.05262	2.3
55.05515	23.1
56.96581	1.4
57.03434	4.6
57.07072	4.3
59.05025	2.7
65.03947	3.1
67.05510	42.9
69.03419	5.4
69.07075	45.9
70.06597	6.8
71.05000	9.6
71.51437	1.5
72.08175	2.7
73.06542	4.0
77.03967	1.4
79.05504	47.2
81.03416	5.7
81.04559	10.4
81.07066	66.9
83.04986	10.3
83.08627	18.4
84.08155	6.8
85.02883	2.3
85.06558	14.6
86.09708	3.9
89.65569	1.6
91.05488	37.4
93.06480	3.1
93.07051	48.8
95.04967	13.4
95.08619	49.2
97.02895	5.5
97.06545	22.3
97.10181	2.9
99.04453	1.7
99.08117	8.6
105.06409	2.2
105.07051	31.5
107.04974	14.7
107.08604	59.2
109.06528	14.2
109.10163	21.0
110.27521	1.5
111.04439	3.0
111.08084	10.5
111.11757	2.3
112.03983	1.5
113.09646	3.9
115.05486	2.3
117.07019	19.4
119.08588	28.3
120.08094	2.8
121.06523	11.5
121.10147	25.0
122.07164	100.0
123.04489	2.2
123.08071	12.2
123.11687	8.4
125.06032	4.4
125.09634	7.8
129.07005	6.0
129.10269	1.6
131.04904	1.5
131.08580	27.1
133.06502	3.1
133.10146	21.2
134.06050	4.2
135.08067	31.7
135.11726	12.2
137.09607	11.6
137.13257	5.1
137.62402	1.5
139.07513	1.9
139.11217	2.8
141.06989	3.5
143.07040	9.4
143.08562	3.9
144.04784	26.2
145.06494	4.0
145.10132	26.0
147.08032	3.2
147.11702	12.3
149.09625	35.3
149.10774	2.5
149.13295	5.7
151.07555	2.0
151.11217	8.8
153.09135	7.7
155.08592	3.9
157.10161	4.2
159.08073	4.4
159.11696	12.9
161.08382	1.7
161.09666	6.1
161.13293	5.9
163.07549	3.1
163.11186	8.6
163.14803	1.5
165.09181	7.8
165.12759	4.6
167.08678	1.5
167.10718	1.7
169.10175	5.3
171.11697	2.3
173.09680	3.6
173.13303	7.0
175.14900	3.3
176.10730	12.1
177.09126	5.2
177.11157	1.5
177.12788	2.1
177.16347	3.4
179.08623	1.7
183.11734	3.6
185.13271	3.3
187.11211	7.3
187.14806	8.8
191.08766	2.2
191.14326	3.2
191.17981	3.4
201.12805	2.1
201.16382	20.1
203.17993	2.0
205.12204	2.4
205.15895	3.7
211.14896	7.4
219.17456	12.8
229.15912	27.7
229.19597	4.7
234.10555	2.1
237.18492	2.8
247.16948	77.7
247.20773	5.2
247.24217	1.8
250.09824	2.1
250.12918	1.5
250.75993	1.6
252.62442	1.4
265.12070	4.6
265.18063	56.5
265.21713	7.0
265.25293	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	265.1801
Annotation	Methyl atlantonate
Peak:m/z	Relative Intensity
51.32547	0.5
53.03952	1.4
55.01865	1.0
55.05513	7.1
57.03435	1.6
57.07087	1.0
59.05009	0.9
59.86019	0.5
65.03937	1.1
67.05508	28.0
69.03439	3.4
69.07079	7.3
69.71788	3.2
70.06609	1.3
71.05002	1.9
79.05492	7.2
81.04544	3.7
81.07060	20.7
83.04993	1.0
83.08620	2.2
84.08163	1.1
85.02902	1.1
85.06538	4.3
91.05489	9.1
93.07055	13.1
95.04987	4.1
95.08614	100.0
97.06531	1.9
97.10191	0.6
98.20689	0.6
99.04457	1.7
99.08099	0.7
103.05521	0.7
104.41941	0.5
105.02635	0.6
105.07034	6.0
107.04948	0.9
107.08600	11.5
109.02823	0.7
109.06522	19.0
109.10159	13.2
111.04418	1.0
111.08095	4.7
117.07043	2.1
118.00918	0.6
119.08592	15.1
121.06521	2.5
121.10156	6.2
122.07166	24.7
122.08065	1.2
123.08054	4.1
123.11746	1.1
125.06024	1.2
125.09651	3.6
127.89743	0.5
129.07024	1.8
131.08571	4.3
133.10138	4.6
135.08041	2.9
135.11736	4.4
137.05977	1.6
137.09607	11.2
139.07536	0.8
143.08612	1.0
144.04799	6.1
144.09306	1.3
145.10133	5.6
145.21771	0.6
147.08070	10.7
147.11710	2.2
149.09639	2.3
149.13293	2.8
149.73373	0.5
153.09099	0.7
155.10689	1.8
157.10155	1.6
159.08070	2.8
159.11720	7.1
161.09689	2.7
161.13278	3.6
163.07727	0.8
163.11186	2.8
165.09128	77.1
169.10214	1.4
170.10960	0.7
171.08168	0.7
171.11713	2.3
172.08815	0.9
173.09598	5.4
173.13275	3.3
174.10466	0.7
175.14841	1.6
177.12793	0.7
181.10150	1.3
183.10237	3.0
183.11606	0.8
185.09702	0.5
185.13184	0.7
187.11200	4.2
187.14793	0.6
191.10706	1.3
191.14290	0.8
191.17947	0.6
196.12560	2.7
201.16376	9.0
211.14832	5.7
214.13387	0.8
219.17490	3.0
220.17853	0.8
229.15904	18.2
239.79773	0.6
241.98856	0.6
247.17007	6.2
265.05518	0.6
265.17993	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	265.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
55.01876	14.8
55.05262	2.3
55.05515	23.1
56.96581	1.4
57.03434	4.6
57.07072	4.3
59.05025	2.7
65.03947	3.1
67.05510	42.9
69.03419	5.4
69.07075	45.9
70.06597	6.8
71.05000	9.6
71.51437	1.5
72.08175	2.7
73.06542	4.0
77.03967	1.4
79.05504	47.2
81.03416	5.7
81.04559	10.4
81.07066	66.9
83.04986	10.3
83.08627	18.4
84.08155	6.8
85.02883	2.3
85.06558	14.6
86.09708	3.9
89.65569	1.6
91.05488	37.4
93.06480	3.1
93.07051	48.8
95.04967	13.4
95.08619	49.2
97.02895	5.5
97.06545	22.3
97.10181	2.9
99.04453	1.7
99.08117	8.6
105.06409	2.2
105.07051	31.5
107.04974	14.7
107.08604	59.2
109.06528	14.2
109.10163	21.0
110.27521	1.5
111.04439	3.0
111.08084	10.5
111.11757	2.3
112.03983	1.5
113.09646	3.9
115.05486	2.3
117.07019	19.4
119.08588	28.3
120.08094	2.8
121.06523	11.5
121.10147	25.0
122.07164	100.0
123.04489	2.2
123.08071	12.2
123.11687	8.4
125.06032	4.4
125.09634	7.8
129.07005	6.0
129.10269	1.6
131.04904	1.5
131.08580	27.1
133.06502	3.1
133.10146	21.2
134.06050	4.2
135.08067	31.7
135.11726	12.2
137.09607	11.6
137.13257	5.1
137.62402	1.5
139.07513	1.9
139.11217	2.8
141.06989	3.5
143.07040	9.4
143.08562	3.9
144.04784	26.2
145.06494	4.0
145.10132	26.0
147.08032	3.2
147.11702	12.3
149.09625	35.3
149.10774	2.5
149.13295	5.7
151.07555	2.0
151.11217	8.8
153.09135	7.7
155.08592	3.9
157.10161	4.2
159.08073	4.4
159.11696	12.9
161.08382	1.7
161.09666	6.1
161.13293	5.9
163.07549	3.1
163.11186	8.6
163.14803	1.5
165.09181	7.8
165.12759	4.6
167.08678	1.5
167.10718	1.7
169.10175	5.3
171.11697	2.3
173.09680	3.6
173.13303	7.0
175.14900	3.3
176.10730	12.1
177.09126	5.2
177.11157	1.5
177.12788	2.1
177.16347	3.4
179.08623	1.7
183.11734	3.6
185.13271	3.3
187.11211	7.3
187.14806	8.8
191.08766	2.2
191.14326	3.2
191.17981	3.4
201.12805	2.1
201.16382	20.1
203.17993	2.0
205.12204	2.4
205.15895	3.7
211.14896	7.4
219.17456	12.8
229.15912	27.7
229.19597	4.7
234.10555	2.1
237.18492	2.8
247.16948	77.7
247.20773	5.2
247.24217	1.8
250.09824	2.1
250.12918	1.5
250.75993	1.6
252.62442	1.4
265.12070	4.6
265.18063	56.5
265.21713	7.0
265.25293	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	265.1549
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.00632	0.2
53.03955	0.4
55.05513	11.8
56.05029	0.5
57.05812	1.3
60.44686	0.2
69.52542	1.3
70.06591	0.4
72.08158	100.0
73.08501	0.2
81.04573	0.2
84.08153	0.8
86.09713	0.4
103.05441	0.3
106.04914	0.2
120.08111	13.4
122.07156	1.9
144.04805	0.5
152.98065	0.2
166.08643	11.6
208.06912	0.2
209.63947	0.2
219.14999	0.6
226.08174	0.2
265.15503	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	265.1437
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
53.03950	5.8
55.01852	4.5
55.05515	15.2
56.05022	9.4
62.05971	2.5
63.00743	2.6
63.74256	3.1
65.03929	7.4
67.05511	31.9
69.03433	36.6
69.07056	5.9
69.89336	7.6
69.89743	5.9
70.06587	19.6
70.10458	2.9
71.00756	3.2
71.04968	8.8
71.76345	2.5
72.08134	8.8
79.05501	18.4
81.03402	3.8
81.04517	4.7
81.07072	16.2
82.06456	2.7
83.04955	8.0
84.04491	2.7
84.08130	12.2
86.09713	23.9
87.04440	2.8
88.49407	2.9
91.04993	3.5
91.05492	50.5
93.03420	3.9
93.06499	2.9
93.07051	44.5
95.04971	43.2
95.08611	24.7
97.02887	4.8
97.06516	9.8
97.76665	2.5
98.21418	5.4
99.04428	7.3
103.05453	7.3
105.07037	73.2
106.04884	11.5
107.04935	5.9
107.08598	25.0
109.06535	31.8
109.10126	5.1
111.04446	34.3
111.08057	11.7
113.06010	21.0
115.05427	5.1
116.06231	4.9
117.07021	16.3
119.04879	3.2
119.08586	93.7
120.08121	53.5
121.02879	16.0
121.06509	55.5
121.10140	14.2
122.07150	37.6
123.08076	28.3
125.06029	3.8
125.09643	3.3
125.43980	3.0
128.06245	7.0
129.07024	16.0
129.10213	3.8
130.07826	5.7
131.07619	3.2
131.08575	46.1
133.04958	3.1
133.06480	8.2
133.10170	22.4
135.08061	93.5
137.05911	2.8
137.09586	17.8
139.03879	6.6
139.07500	10.1
141.06953	10.8
142.07805	14.2
143.08565	19.4
144.04744	9.9
144.09325	10.4
145.06502	15.6
145.10133	30.1
146.07219	4.7
147.08043	45.0
147.11696	15.9
149.05936	5.4
149.09627	13.4
151.07555	4.4
153.06923	3.6
153.09016	4.4
155.08492	7.7
156.09331	8.4
157.06456	5.0
157.10127	26.0
158.07285	25.5
158.10910	3.8
159.08076	41.1
159.11693	40.9
160.08820	5.4
161.05984	3.7
161.09622	48.4
161.13200	6.1
165.09131	33.7
168.09328	8.3
169.09987	6.6
171.08026	10.9
171.11757	13.1
172.08838	30.6
173.09662	21.1
173.13292	24.2
175.07567	81.8
175.11189	42.5
177.05426	5.6
177.09123	4.3
181.06401	4.9
183.11687	10.8
185.09561	6.3
186.10426	4.7
187.11201	47.7
189.09047	11.1
189.12756	19.1
191.07103	3.0
193.08640	26.7
193.10182	4.5
196.08827	8.6
199.11194	18.1
201.12738	44.0
203.10683	56.1
204.65822	3.1
205.12227	10.1
207.10226	3.1
211.11201	22.0
217.12250	29.2
219.13785	13.5
220.59431	3.3
221.11848	2.8
229.12228	34.2
235.13217	11.4
247.10858	3.5
247.13330	69.0
265.12201	4.3
265.14334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1438
Annotation	Ivangulinic acid
Peak:m/z	Relative Intensity
53.03942	2.1
55.01871	2.2
55.05512	9.4
57.03443	5.8
57.03680	1.0
57.07074	5.4
58.46499	0.9
59.05024	1.7
65.03930	1.5
67.05510	13.3
67.75274	0.9
69.03082	1.4
69.03432	16.2
69.07072	13.9
69.28681	8.5
70.03748	0.9
70.06589	4.2
71.04997	3.8
71.08637	3.0
72.08138	1.8
72.64136	1.0
73.02927	2.7
79.05496	9.7
81.03410	1.7
81.04548	9.8
81.06599	1.6
81.07066	27.1
83.04990	18.2
83.08627	6.3
84.08150	4.6
85.02908	6.6
85.06553	4.0
86.09694	1.7
87.04467	4.7
91.05495	12.1
93.07048	17.4
95.04976	5.7
95.08618	30.3
97.02895	6.5
97.06553	4.0
97.10153	3.1
97.73253	1.0
98.20776	2.3
99.04453	2.5
99.08074	1.5
103.05470	1.1
105.07052	12.6
107.04969	2.5
107.08603	24.0
108.83369	1.0
109.02884	4.1
109.06532	8.1
109.10173	14.8
110.07166	2.0
111.04463	8.8
111.08080	4.7
111.11722	2.2
112.08725	1.4
113.06030	2.3
113.09705	1.1
115.03934	5.7
115.05469	1.0
117.07040	6.1
119.08585	12.5
120.08109	4.4
121.02834	1.1
121.06525	16.0
121.10162	9.3
122.07166	100.0
123.04420	1.8
123.08076	5.2
123.11726	10.2
125.05972	2.5
125.09638	3.0
127.03883	1.6
128.06226	1.1
129.07005	2.7
131.08582	7.7
133.04976	5.4
133.10123	6.3
135.08073	25.2
135.11696	6.3
137.05981	2.4
137.09634	3.8
137.13246	7.6
139.03912	2.0
139.07535	1.3
139.11200	2.7
143.08563	3.6
144.04799	24.2
144.09424	2.2
145.06493	6.7
145.10139	8.4
147.08086	4.1
147.11674	3.3
149.06013	2.6
149.09631	7.5
149.13271	4.4
151.11217	1.3
151.14844	1.5
153.09142	4.2
155.08594	2.6
157.10135	3.0
158.10938	3.9
159.08060	4.3
159.11699	10.9
160.08858	1.2
161.09648	3.9
161.13286	1.6
163.07562	19.2
163.11197	4.6
163.14836	3.4
165.09064	2.0
170.10899	1.4
171.11737	1.7
172.08842	4.4
173.06024	1.4
173.09627	7.7
173.13290	13.7
176.10854	1.4
177.05063	1.7
177.12732	2.2
177.16461	2.3
183.10254	1.1
183.11769	2.8
185.13243	1.7
186.10442	4.5
187.11180	20.8
189.09053	1.2
189.16364	1.6
191.07069	7.8
191.10725	2.2
191.14348	1.6
191.17838	1.6
201.12788	19.3
203.18039	1.3
205.12302	8.6
207.10089	1.2
209.08170	2.9
209.13293	1.7
211.11127	3.3
219.13792	7.4
229.12286	20.1
229.15768	1.8
229.19580	2.4
247.13332	38.0
247.17107	3.2
247.24275	4.2
253.83015	1.1
259.12952	1.0
265.11829	1.5
265.14337	2.8
265.19205	1.4
265.21829	5.1
265.25290	9.5
265.67416	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28251	0.4
54.03465	0.7
55.01871	0.5
55.05515	0.8
56.05037	1.7
56.96568	3.1
57.03433	0.6
60.04525	2.0
60.05638	0.5
61.02910	0.5
66.91866	0.4
67.05505	1.8
69.03439	1.2
69.07068	1.1
69.97920	2.0
70.02927	0.5
70.06590	8.1
71.04980	0.7
72.08152	4.6
73.02901	0.5
74.02424	0.6
74.06080	2.0
79.05490	0.7
80.05023	0.8
81.03457	0.7
81.04093	0.9
81.04539	9.5
81.07034	0.8
84.04509	2.6
84.08145	5.4
85.02908	2.0
86.09702	4.0
91.05487	1.5
93.07044	0.6
94.06571	5.1
95.04984	0.9
95.06084	0.5
96.04488	0.8
97.02894	1.0
98.06062	1.9
98.21446	0.5
98.97589	4.0
102.05548	0.5
105.07011	0.5
106.06566	1.0
107.04945	0.5
107.05643	0.4
110.06036	0.6
110.07173	4.3
110.97568	1.2
112.08713	0.4
112.99068	0.5
113.03054	0.5
115.08643	0.4
116.98608	1.3
119.01803	0.6
119.04971	0.8
119.08593	0.7
120.08100	1.4
121.06509	2.0
122.06089	4.7
122.07153	82.8
126.03722	0.9
128.98587	0.8
129.10225	1.8
130.08627	0.9
133.52142	0.5
134.06004	1.0
136.06227	2.3
136.07561	1.9
137.05957	0.7
138.05478	0.5
143.00235	0.7
144.04787	21.5
146.99583	0.8
147.04391	1.1
147.06799	0.6
147.11292	0.5
150.05504	23.7
150.09100	0.5
152.07056	0.9
155.04688	1.2
156.07642	0.5
156.98099	0.7
157.01666	0.4
158.99612	0.9
160.07588	0.5
163.02753	0.5
166.05283	1.1
168.06563	100.0
168.55244	0.4
170.11702	0.6
172.07536	1.2
174.09164	1.1
174.99150	1.3
175.07526	0.5
177.00644	0.4
184.07541	1.5
201.10251	1.1
202.08629	18.2
203.10806	0.5
212.06940	0.5
214.07515	0.5
219.01724	0.9
222.96825	0.8
224.04482	0.7
229.09795	2.6
230.08109	1.7
240.97890	0.9
242.03339	0.8
244.16595	1.0
247.10794	40.9
248.09203	2.5
260.04367	0.7
264.57416	0.9
265.02448	0.5
265.11655	4.6
265.14978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03943	1.4
55.01879	0.8
55.05515	14.2
57.03437	1.9
57.07078	13.4
58.34435	0.7
65.03946	2.2
67.05507	88.7
69.07068	17.7
70.10148	2.4
71.04995	1.6
71.08633	7.8
77.03857	0.9
79.05016	0.8
79.05493	21.8
81.07057	100.0
83.04996	1.6
83.08622	15.1
85.06548	5.1
85.10174	3.7
91.05478	16.3
91.06023	1.0
93.07044	25.0
95.04999	1.3
95.08608	90.5
97.06528	11.4
97.10168	7.5
99.08110	5.2
105.07027	13.6
107.08593	15.6
107.12607	0.6
109.06538	4.5
109.10159	47.0
111.08098	5.2
111.11723	1.4
113.09666	2.6
119.07805	1.2
119.08586	14.1
121.10148	18.7
123.08052	2.3
123.11707	21.7
125.09622	1.7
127.11182	1.8
131.08578	0.9
133.10136	17.2
135.11691	10.1
137.09607	2.4
137.13248	8.3
139.11218	1.5
140.84398	0.7
141.12735	2.0
147.11707	11.1
149.13269	9.3
151.07541	0.9
151.11203	1.9
151.14828	7.4
155.14299	2.9
161.13268	13.2
163.14828	10.1
165.12692	0.9
165.16399	13.1
167.14365	1.2
175.14825	9.1
177.16307	1.9
179.17987	5.8
181.15921	1.8
189.16368	5.4
203.17874	1.7
207.17308	0.7
207.26598	0.7
217.19533	1.9
245.22650	43.1
263.20181	8.8
263.23703	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42292	0.5
55.01858	0.5
55.05510	1.5
56.05023	0.8
56.96566	100.0
57.03436	0.9
60.04522	2.5
61.04866	0.5
67.05500	1.0
67.98186	0.6
68.05013	0.6
69.03433	1.3
69.07064	2.1
70.06592	5.5
70.98151	0.6
71.02444	1.0
71.06917	0.5
71.95264	2.1
72.08154	4.1
72.96040	5.1
73.02914	1.0
74.06075	1.4
74.97585	1.0
80.05016	0.5
83.06102	0.6
83.97639	4.2
84.04496	4.6
84.08145	6.4
84.96040	1.1
85.02914	2.1
85.08479	0.8
86.09708	4.2
91.05487	1.9
94.02891	0.5
95.04992	0.6
95.06110	0.7
96.04523	0.4
97.02905	1.1
98.06065	0.6
98.09710	0.9
98.96943	1.1
98.97586	20.4
102.05532	0.9
103.05454	0.6
104.32115	0.4
104.32781	0.5
110.06041	0.5
110.07173	6.2
110.07902	0.7
110.09660	0.6
110.97572	1.1
111.05563	0.6
112.08730	0.9
113.07124	0.5
114.05538	1.1
116.07066	0.7
116.98612	8.9
119.01852	0.7
119.04951	1.7
120.08093	3.4
121.06506	1.4
122.06037	0.9
122.07133	2.5
128.98608	1.5
129.10265	1.6
130.04980	1.9
130.08621	0.5
134.06027	2.0
134.99678	2.6
135.09201	1.0
136.07573	2.8
137.05962	0.7
137.07913	0.7
138.09076	0.6
140.00163	0.5
142.04993	0.9
144.04762	0.7
144.96815	1.4
147.04402	3.0
149.02673	0.8
149.99825	0.5
150.11572	1.2
152.04129	0.5
152.07083	1.3
153.04947	1.0
154.01678	0.6
156.07664	0.9
156.10274	0.8
158.53961	0.8
158.99690	0.7
161.02988	0.6
162.05458	2.4
162.97972	0.6
163.00684	1.8
163.04407	1.1
164.07149	0.6
165.02246	3.0
167.03809	1.4
169.01718	0.7
169.09778	0.7
171.06003	0.9
176.03835	16.5
177.00737	0.8
177.02213	1.2
178.05408	12.7
179.00148	1.4
180.06551	0.6
181.01712	2.3
183.03297	7.4
184.09610	0.8
184.57091	0.5
185.01207	0.8
186.02252	1.6
188.09183	0.6
189.00769	0.6
190.01665	2.2
192.03270	3.4
192.06583	0.6
194.04895	6.0
196.06465	7.4
197.01256	2.2
199.02719	0.7
201.00706	0.6
201.04373	5.3
202.10735	5.0
202.12544	1.1
204.03311	9.3
205.00464	0.6
208.02823	8.9
210.04352	1.5
215.02356	0.7
217.45076	0.5
218.08096	0.7
219.01666	1.4
219.03523	1.0
222.04381	86.9
223.01527	1.0
223.04688	0.5
225.06642	0.7
226.03845	3.6
234.07440	1.0
237.02904	1.5
240.05424	62.8
245.06081	2.5
246.07285	1.4
246.13460	1.0
246.16002	0.9
263.07028	1.1
263.58881	0.6
264.05450	30.4
264.08615	2.4
264.17017	2.8
282.06406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.49509	0.5
53.03936	1.2
55.01879	1.2
55.05512	16.0
57.03444	2.5
57.07076	11.0
59.86517	0.5
64.11731	0.4
65.03947	2.3
67.05506	85.2
69.07069	16.7
69.80579	0.9
69.80981	2.2
71.04976	1.3
71.08634	6.2
77.03918	0.6
79.05495	21.4
81.07058	100.0
83.04983	1.7
83.08619	14.4
85.06547	4.1
85.10192	3.5
91.05483	17.0
91.06018	1.2
93.07046	25.2
95.04961	1.6
95.08609	89.9
97.06536	6.0
97.10167	8.3
98.20821	0.6
99.08092	5.7
105.04552	0.6
105.07035	10.8
107.08600	15.4
109.06529	1.2
109.10159	46.4
111.08102	4.8
111.11724	1.3
113.09634	3.6
119.08584	12.3
121.09483	0.4
121.10143	17.3
123.08056	1.8
123.11713	18.7
125.09637	1.4
127.11198	1.7
131.08536	1.1
133.10136	15.7
133.28918	0.5
133.30014	0.6
135.11700	10.5
137.09630	2.3
137.13252	8.1
141.12714	2.7
147.11684	10.0
149.13261	10.0
151.11182	1.9
151.14816	8.4
155.14301	2.0
156.97723	0.5
161.13260	10.8
163.14844	9.2
165.16402	10.7
167.14264	0.6
175.14839	7.8
177.16388	2.3
179.17909	4.7
181.15828	1.0
189.16371	4.5
193.15878	0.7
203.17987	1.3
207.17465	0.8
217.19580	1.2
219.21051	0.9
221.19109	0.7
245.22649	37.5
263.23706	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03952	0.9
55.01884	0.9
55.05514	12.4
57.03444	1.6
57.07078	12.3
65.03947	2.0
67.05508	81.2
69.07076	15.6
71.04991	1.9
71.08631	7.4
77.74087	0.8
79.05495	21.0
81.07060	100.0
83.04987	1.5
83.08627	14.7
85.06544	3.8
85.10174	3.8
91.05486	15.4
93.07043	22.7
95.04968	1.4
95.08613	91.2
96.52573	0.7
97.06538	7.4
97.10167	7.1
99.08095	5.2
105.07048	10.3
107.08601	13.8
109.06520	1.6
109.10163	49.8
111.08089	5.9
111.11743	1.9
113.09631	3.5
119.08584	12.4
121.10146	19.5
123.08080	2.5
123.11714	23.5
125.09660	1.6
127.11192	2.4
131.08546	0.9
133.10143	15.2
135.11705	11.4
137.09636	2.7
137.13263	10.3
141.12769	2.2
145.69550	0.6
147.11699	11.3
149.13266	10.4
151.11153	1.3
151.14824	9.1
155.14349	2.5
161.13272	13.6
163.14836	9.4
165.16400	12.0
167.14374	1.2
175.14801	9.8
177.16408	3.3
179.14482	0.8
179.17970	5.5
181.15799	0.8
189.16388	3.6
193.15887	0.8
203.17975	1.5
217.19469	1.4
219.21071	1.1
245.22661	44.1
263.23712	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.60498	0.5
53.03948	1.4
54.19247	0.5
55.01864	0.7
55.05516	15.0
57.03436	1.8
57.07076	13.0
64.00396	0.5
65.03942	2.1
67.05507	85.4
69.07071	18.6
70.11790	1.1
70.12164	1.9
71.05003	2.0
71.08636	6.6
79.05499	21.9
81.07059	100.0
83.04981	1.8
83.08620	13.1
85.06554	4.2
85.10188	3.3
91.04911	0.9
91.05484	18.0
93.07047	23.3
95.04965	1.3
95.08611	89.4
97.06530	8.0
97.10167	6.8
99.08093	5.3
104.00366	0.6
105.07037	11.0
107.08601	14.7
109.06551	1.2
109.10162	44.6
111.08096	4.8
111.11710	1.0
113.09643	3.1
119.08583	10.8
119.09368	1.0
121.10146	17.9
123.08057	1.4
123.11717	20.7
125.09658	0.7
127.11208	1.9
133.10132	15.0
135.11703	9.7
137.09656	2.3
137.13263	7.4
139.11150	0.7
141.12749	2.1
147.11694	11.1
149.13264	9.1
151.11195	1.1
151.14819	9.1
155.14334	2.3
161.13264	12.0
163.14836	9.6
165.12726	0.8
165.16399	11.9
167.14275	1.1
175.14830	7.7
177.16417	1.6
179.18021	4.8
181.15891	1.2
189.16371	4.8
203.17918	1.2
207.17401	1.2
217.19534	2.2
220.95567	0.6
245.22665	35.6
247.11606	0.9
263.14706	3.7
263.23712	91.5
283.24222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87989	0.9
53.03956	2.4
53.04344	1.0
55.01865	1.3
55.05513	15.6
57.03452	1.8
57.06821	1.3
57.07077	13.3
65.03950	1.8
66.28123	1.0
67.05510	79.9
69.07073	15.9
70.07678	3.1
71.04994	2.4
71.08639	5.7
72.71930	1.0
79.05073	1.6
79.05499	19.3
81.07063	100.0
83.04969	1.3
83.08624	15.4
85.06537	4.3
85.10174	3.8
91.05476	17.2
93.07056	25.0
95.04972	2.5
95.08615	81.6
97.06539	8.1
97.10173	6.3
99.08130	6.1
104.99268	1.1
105.07041	12.5
107.08606	14.1
109.06497	2.2
109.10166	46.9
111.08138	5.1
111.11729	1.5
113.09628	3.6
119.08591	12.7
121.10152	15.3
123.08082	3.6
123.11718	20.2
125.09613	2.0
127.11218	2.3
133.10156	14.7
135.11703	11.5
137.09624	2.1
137.13292	8.8
141.12743	3.1
147.11708	9.8
149.13271	7.7
151.11217	2.0
151.14845	7.5
155.14294	3.0
161.13271	9.5
163.14836	8.2
165.16428	11.7
167.14413	1.0
168.44301	1.0
175.14851	9.9
177.16435	3.1
179.18031	5.1
181.15889	1.3
189.16425	4.1
207.17494	1.0
244.42685	1.3
245.22667	37.4
263.10886	1.3
263.14334	1.7
263.18179	2.1
263.23718	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	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.39627	3.6
55.05511	8.0
57.07085	6.3
67.05516	23.8
68.60355	4.0
69.07062	34.2
69.34214	31.8
71.04998	5.5
79.05482	14.9
81.07059	68.8
83.08611	11.3
87.96000	4.4
91.05480	10.1
93.07050	28.0
94.02234	4.4
95.08616	77.1
97.10147	11.2
105.07031	17.7
107.08585	46.5
107.93494	4.0
109.10155	49.1
113.09662	9.1
119.08609	27.2
121.10140	35.2
123.11705	39.1
133.09256	4.8
133.10086	22.3
135.11691	36.1
137.13264	20.4
147.11694	15.5
149.13272	30.4
161.13249	16.8
163.14822	42.5
175.14876	21.5
177.16357	4.2
189.16426	28.7
203.17953	7.7
205.19533	14.6
224.13229	4.1
238.84439	3.9
245.22667	100.0
263.18262	4.0
263.23712	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95182	0.3
53.81454	0.4
55.05496	0.5
56.05040	3.4
57.03455	0.7
57.05796	0.5
58.06610	0.5
59.88488	0.4
60.04515	1.1
67.05499	0.8
68.05020	0.9
69.03440	0.7
69.05824	0.7
69.07074	11.4
69.48871	0.3
70.06587	3.6
71.50884	0.4
72.08167	1.3
74.06075	0.4
81.03423	0.5
83.36420	0.3
84.04507	9.5
84.04978	0.7
84.08147	9.0
85.02910	14.8
85.08489	0.8
86.06062	0.7
86.09710	100.0
87.04514	0.8
88.04012	0.5
91.05482	1.2
95.01347	1.2
96.08158	0.5
98.97601	0.6
102.05539	8.2
104.05335	3.4
110.07203	0.7
112.03983	0.9
112.08701	0.6
113.02358	0.5
113.07179	0.5
117.03732	0.8
117.07037	0.4
118.06564	1.5
119.04937	0.4
119.07314	1.9
119.58817	0.4
120.08101	1.6
121.06534	0.5
129.10237	2.3
130.05006	63.7
133.03177	2.3
134.09657	58.6
135.06822	0.4
136.07585	4.1
144.08093	0.5
148.07600	0.7
150.05849	9.6
160.11269	0.6
169.13380	0.8
174.09225	0.6
175.08708	0.5
200.07106	0.5
217.13660	0.7
218.08264	0.7
235.34219	0.4
245.09442	0.9
246.11346	2.1
255.94656	0.4
256.14468	0.4
259.55072	0.6
263.10358	1.8
263.14017	17.3
263.17450	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1643
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
53.03944	2.7
55.01879	7.0
55.05512	40.1
56.35070	1.2
57.07059	2.0
59.04992	1.9
65.03934	1.9
67.05490	4.5
69.03420	3.8
69.07066	5.3
69.78030	6.8
70.06591	1.3
71.04999	2.8
79.05499	11.9
79.26982	1.3
81.07055	36.0
83.04970	4.2
83.08623	100.0
91.05480	17.9
93.07048	17.3
94.04188	4.1
95.04979	11.3
95.08608	12.8
97.06542	8.9
105.07034	11.7
107.04929	5.2
107.08591	34.9
109.06523	79.2
109.10167	5.4
111.08091	13.8
113.06020	1.5
113.09630	5.4
117.07047	1.3
118.69326	1.3
119.04932	5.0
119.06100	3.6
119.08578	10.7
120.63424	1.5
121.06513	3.3
121.10143	7.3
123.08076	9.4
124.78642	1.6
125.09631	12.3
127.07561	1.9
128.06264	2.3
131.08543	3.3
133.10156	8.2
135.11734	2.4
137.05975	19.9
137.09590	1.9
139.11182	20.2
143.08514	7.5
145.10094	7.6
147.08031	2.5
147.11636	2.2
149.09586	3.8
151.11168	1.8
153.09105	10.6
155.06987	1.7
157.10120	3.5
159.11728	7.3
161.03130	1.6
161.09598	4.5
161.13292	1.7
163.11176	2.6
170.64758	1.5
171.10271	1.4
171.11676	3.6
175.14714	1.7
177.12701	3.9
179.14255	1.8
181.12265	15.6
185.13263	5.7
187.11183	7.5
203.14304	11.7
205.12242	16.2
206.10942	1.8
207.11676	1.8
219.11594	1.9
220.52208	1.6
221.13246	4.8
221.15375	19.1
230.73816	1.4
233.13222	3.4
234.14037	1.6
245.15352	5.7
248.15639	3.2
263.13989	2.7
263.16058	11.3
263.18137	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	262.2382
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
55.05512	0.2
56.05042	0.2
57.02170	0.1
57.07082	5.8
58.06607	1.6
58.73064	0.2
68.05032	0.3
69.07070	0.2
70.06601	16.0
71.08640	3.9
72.08157	0.5
74.06087	0.3
84.08135	0.2
86.09720	0.2
87.04486	0.3
88.07642	23.5
98.09685	0.2
98.21504	0.4
99.57391	0.2
100.07571	0.1
102.09194	13.1
130.71562	0.1
132.10217	0.8
146.11787	0.8
150.11232	0.6
156.17514	1.2
174.18556	0.2
176.14365	0.5
200.20117	48.5
201.20450	0.2
202.12262	0.2
244.22762	3.0
250.13646	0.2
251.34639	0.2
262.23801	100.0
263.24149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44206	9.4
57.74127	12.1
58.96231	10.4
70.00802	45.0
86.37403	10.8
98.97591	25.2
101.00874	40.6
105.32343	11.8
116.98666	10.4
119.01929	18.8
143.01918	72.3
147.80060	10.9
161.02972	78.5
169.55498	12.7
173.02910	13.3
188.25842	11.6
203.03992	45.9
238.92178	11.2
263.01682	100.0
263.06119	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1393
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
55.01890	0.5
55.05501	0.4
56.05018	1.0
57.03456	0.4
58.99582	0.6
60.00916	0.4
60.05630	0.4
61.01150	2.6
67.05514	0.5
69.03426	2.6
69.05795	0.3
69.07042	0.3
70.06595	38.9
70.66160	0.9
71.04981	0.7
71.06116	3.5
72.04503	1.2
72.08145	1.2
76.02232	2.6
77.00633	3.2
78.03795	3.3
79.05444	0.4
81.07061	0.8
84.04502	0.5
84.08149	4.6
84.51596	0.3
85.01119	0.4
85.02901	5.9
85.08495	0.3
86.06071	31.1
86.09721	2.0
91.05476	2.2
93.07056	2.2
95.08593	0.7
96.04464	0.4
96.08140	1.1
97.02898	3.8
97.06548	0.8
98.06053	1.9
102.03766	1.7
103.02155	0.9
103.05473	6.6
105.06980	0.6
110.07165	0.6
113.04258	0.4
114.05551	1.0
115.03936	5.0
115.07893	0.5
115.08688	7.1
116.07096	80.6
118.03247	14.6
120.04790	1.1
120.08109	100.0
121.06532	0.8
121.08510	0.4
123.08089	0.9
128.05296	0.4
129.00056	1.6
129.10251	0.8
130.03239	0.5
130.06572	0.9
131.05190	0.7
132.04784	0.4
134.09628	0.4
136.06517	0.3
136.07552	1.9
138.09317	0.3
141.07025	0.4
144.04842	0.3
147.01125	0.6
147.05875	23.3
148.66008	0.3
149.07480	2.2
156.04776	4.1
157.03207	1.7
157.07668	0.4
158.05980	0.5
174.05852	6.3
175.04250	16.4
175.08679	0.6
192.06911	5.4
200.10730	0.5
208.01991	0.3
216.06984	1.1
217.13396	0.8
219.11710	1.1
228.06810	0.4
234.07957	0.7
245.09642	1.3
245.12830	2.1
246.07962	0.8
246.11127	0.6
250.25285	0.3
263.10657	57.4
263.13913	20.7
263.17499	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1803
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
57.07056	0.6
67.05511	0.5
67.76794	0.3
69.03455	0.3
70.06596	1.9
71.08627	0.3
71.52013	0.5
79.05468	0.4
84.08141	1.0
85.02920	0.4
86.09717	0.6
87.04472	26.1
88.07622	1.5
91.05444	0.5
92.49571	0.3
93.07026	0.5
95.08597	0.4
97.02888	0.3
98.97593	0.5
105.06960	0.4
109.82195	0.3
114.09169	0.7
118.06535	8.5
119.07333	0.3
120.08118	0.4
121.06509	0.4
121.10084	0.4
132.08090	3.0
132.10222	1.9
133.08871	1.4
134.09651	0.9
136.07661	0.4
146.09657	3.0
147.10426	0.4
150.11253	1.7
155.80177	0.3
176.14354	64.3
177.14702	0.4
196.54297	0.3
218.11800	0.4
218.21190	0.5
244.09741	0.6
262.18030	100.0
262.23779	10.4
263.18314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01889	0.7
55.05519	2.7
56.05025	2.7
56.75471	0.4
56.96572	1.6
57.03448	2.2
57.05373	0.9
57.07080	5.6
59.31083	0.4
60.04532	1.8
61.02927	3.6
61.38056	0.5
67.05514	0.6
68.05052	0.5
69.03432	5.7
69.07093	0.5
70.02948	0.6
70.06597	5.0
71.04997	1.0
71.50761	0.5
72.04523	0.7
72.08162	1.6
73.02928	1.8
74.06069	0.5
79.05468	0.5
81.03444	2.7
81.07034	0.5
82.02953	0.9
82.06579	0.9
83.01331	0.4
83.04986	1.2
83.64132	0.5
84.04507	23.2
84.08155	5.9
85.02911	23.6
85.04298	1.0
85.04839	11.8
85.08491	0.6
86.03246	0.6
86.09709	20.1
87.04485	1.2
87.09473	1.0
87.10041	13.0
91.03944	1.3
91.05486	2.0
93.07055	1.1
95.05002	0.6
96.04486	2.0
97.02897	10.1
98.06059	16.2
98.09698	0.9
98.97588	2.0
99.04449	1.6
99.06384	2.3
100.07622	100.0
101.06024	0.9
102.05539	3.4
103.03918	1.1
103.05865	1.7
109.02884	2.3
110.06025	0.9
110.07193	1.2
110.97572	0.7
112.07569	1.2
114.05535	0.6
115.03908	0.6
119.04930	0.7
120.08103	5.6
121.06524	3.6
124.07594	11.5
124.08482	0.7
126.05510	1.4
127.03926	4.6
129.06595	1.0
129.10214	1.5
132.10208	7.6
133.10559	8.6
136.07587	1.1
140.07030	2.1
140.08037	0.6
141.06587	0.8
142.06950	0.8
142.08644	14.8
144.06566	2.7
145.04956	4.9
147.03300	0.6
147.04402	2.4
153.11133	0.5
158.53868	0.6
162.07640	0.9
163.06003	0.8
166.08601	0.7
173.68698	0.5
175.11823	0.8
177.10184	1.4
182.08142	0.6
183.03096	1.0
184.09683	2.0
192.03555	0.6
197.12877	2.2
198.13219	16.7
200.09116	1.1
218.10262	4.2
219.01817	0.6
226.12625	1.6
241.02013	0.5
244.11751	2.8
244.13802	21.9
262.12778	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1288
Annotation	Heterodendrin
Peak:m/z	Relative Intensity
53.03938	0.9
55.01889	0.7
55.05519	2.7
56.05025	2.7
56.75471	0.4
56.96572	1.6
57.03448	2.2
57.05373	0.9
57.07080	5.6
59.31083	0.4
60.04532	1.8
61.02927	3.6
61.38056	0.5
67.05514	0.6
68.05052	0.5
69.03432	5.7
69.07093	0.5
70.02948	0.6
70.06597	5.0
71.04997	1.0
71.50761	0.5
72.04523	0.7
72.08162	1.6
73.02928	1.8
74.06069	0.5
79.05468	0.5
81.03444	2.7
81.07034	0.5
82.02953	0.9
82.06579	0.9
83.01331	0.4
83.04986	1.2
83.64132	0.5
84.04507	23.2
84.08155	5.9
85.02911	23.6
85.04298	1.0
85.04839	11.8
85.08491	0.6
86.03246	0.6
86.09709	20.1
87.04485	1.2
87.09473	1.0
87.10041	13.0
91.03944	1.3
91.05486	2.0
93.07055	1.1
95.05002	0.6
96.04486	2.0
97.02897	10.1
98.06059	16.2
98.09698	0.9
98.97588	2.0
99.04449	1.6
99.06384	2.3
100.07622	100.0
101.06024	0.9
102.05539	3.4
103.03918	1.1
103.05865	1.7
109.02884	2.3
110.06025	0.9
110.07193	1.2
110.97572	0.7
112.07569	1.2
114.05535	0.6
115.03908	0.6
119.04930	0.7
120.08103	5.6
121.06524	3.6
124.07594	11.5
124.08482	0.7
126.05510	1.4
127.03926	4.6
129.06595	1.0
129.10214	1.5
132.10208	7.6
133.10559	8.6
136.07587	1.1
140.07030	2.1
140.08037	0.6
141.06587	0.8
142.06950	0.8
142.08644	14.8
144.06566	2.7
145.04956	4.9
147.03300	0.6
147.04402	2.4
153.11133	0.5
158.53868	0.6
162.07640	0.9
163.06003	0.8
166.08601	0.7
173.68698	0.5
175.11823	0.8
177.10184	1.4
182.08142	0.6
183.03096	1.0
184.09683	2.0
192.03555	0.6
197.12877	2.2
198.13219	16.7
200.09116	1.1
218.10262	4.2
219.01817	0.6
226.12625	1.6
241.02013	0.5
244.11751	2.8
244.13802	21.9
262.12778	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.33424	0.6
53.03929	2.5
55.05511	9.2
57.03409	1.1
57.07078	3.8
63.61887	0.6
65.03931	2.1
67.05508	30.4
69.07072	8.3
71.04977	1.5
71.08614	0.6
71.52045	0.9
77.03915	0.8
79.05495	39.6
81.03381	0.6
81.07058	35.0
83.08618	5.6
85.06522	2.2
91.04907	0.9
91.05479	19.2
93.07047	53.6
95.04994	3.2
95.08610	27.2
97.06532	3.3
97.10176	1.5
97.60356	0.6
99.08084	2.2
105.07033	13.3
107.08595	35.7
109.06509	1.5
109.10167	11.1
111.08079	1.7
113.09646	1.0
117.07034	4.0
118.85769	0.7
119.06085	0.6
119.08576	11.9
121.10149	30.2
123.08097	1.5
123.11724	4.4
125.09595	1.0
131.07632	0.7
131.08571	10.5
133.10138	9.2
135.08054	0.6
135.10709	1.3
135.11699	25.4
137.09599	1.0
137.13239	1.2
145.10123	10.0
147.11694	8.6
149.02347	3.6
149.13263	20.9
151.11215	0.8
158.06068	1.3
159.11687	9.2
161.13249	9.4
163.14836	17.4
165.12749	1.3
173.13280	8.6
175.14879	4.0
177.16423	5.3
187.14821	5.7
189.16454	1.4
201.16365	2.5
205.15851	0.7
207.46635	0.7
215.18004	1.7
223.57872	0.6
233.22745	0.9
243.21106	25.8
261.22137	100.0
262.22464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
53.61460	0.5
55.05516	11.4
55.67413	0.5
57.03431	1.3
57.07082	3.7
58.62120	0.6
65.03937	2.4
65.73946	0.6
67.05509	35.7
69.07069	11.1
69.27011	1.3
69.27415	4.2
71.04985	1.8
71.08621	1.6
75.54610	0.5
77.03935	0.7
79.05498	49.9
81.07060	41.3
83.08631	6.7
85.06558	3.1
91.05482	22.9
93.07047	64.8
95.04967	2.3
95.08614	31.6
97.06543	3.7
97.10156	2.2
98.20696	1.4
99.08082	2.7
105.04527	1.0
105.07039	17.7
107.08601	42.7
109.06519	2.0
109.10161	13.3
111.08069	2.4
111.11734	1.0
113.09586	1.0
117.07041	6.2
119.08586	13.9
121.10152	37.2
123.08093	1.8
123.11709	4.8
125.09591	0.8
130.06499	0.9
131.08572	11.5
133.10143	11.7
135.11702	29.8
137.09644	1.6
137.13269	1.8
139.11182	0.7
141.64421	0.7
145.10126	11.8
147.10645	1.1
147.11708	10.2
149.02365	3.4
149.03369	0.6
149.09660	1.2
149.13269	23.9
151.11205	0.6
151.14705	0.6
158.06023	1.4
159.11690	10.7
159.12901	1.2
161.13271	9.7
163.14828	17.0
165.12810	0.9
173.13283	8.3
175.14839	4.3
177.12830	0.7
177.16429	4.4
179.14323	1.2
187.14835	6.6
189.16283	1.1
191.14320	0.7
199.03627	0.6
201.16396	2.3
203.17995	0.9
205.15968	0.6
215.18047	0.8
219.17432	1.3
226.79996	0.6
232.40860	0.7
233.22549	1.1
243.21078	26.1
244.66492	0.6
261.22150	100.0
263.05728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.3
53.03951	1.8
55.01867	0.7
55.05513	9.4
57.03437	1.0
57.07077	3.2
59.04988	0.3
63.96709	0.3
65.03937	1.3
67.05506	28.2
69.07068	9.7
69.81772	0.9
69.82182	0.6
71.04990	1.8
71.08632	1.0
77.03932	0.9
79.05495	39.3
81.07058	35.8
83.04992	0.6
83.08621	6.2
85.06548	3.0
85.10178	0.5
85.71594	0.3
91.05481	19.1
93.07045	56.0
95.04963	2.0
95.08610	27.1
97.06544	2.5
97.10184	2.2
98.21426	0.4
99.08093	3.0
103.05479	0.4
105.04528	0.9
105.07034	13.7
107.08598	36.6
109.06531	1.0
109.10158	11.4
111.08078	2.2
111.11706	0.6
113.09650	0.8
117.07021	5.6
119.08582	12.0
121.10146	33.1
123.08080	1.0
123.11716	4.3
125.09628	0.6
127.11225	0.3
130.07788	0.3
131.08577	11.8
133.10141	9.3
135.11694	26.2
136.11974	0.3
137.09613	1.3
137.13260	0.9
139.11165	0.5
141.12434	0.3
143.08553	0.4
145.10124	11.2
147.11690	8.3
149.02373	1.0
149.09682	0.7
149.13261	21.6
151.11169	0.7
151.14828	1.0
153.12756	0.9
159.10649	0.2
159.11699	8.3
161.13271	8.4
163.11205	0.5
163.14821	15.9
165.12737	1.3
165.16490	0.3
173.13268	7.7
175.14819	3.8
177.12738	0.3
177.16389	4.7
179.14296	1.4
187.14830	6.0
189.16389	0.6
191.14337	0.5
201.16341	2.5
201.17717	0.2
203.18048	0.3
205.14174	0.5
205.15913	0.6
215.17973	1.2
217.19479	0.4
219.17439	0.9
233.22621	1.1
243.18465	0.5
243.21095	24.6
261.22134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.01613	0.3
50.40128	0.2
51.02375	0.6
53.03953	1.5
55.01866	0.7
55.05510	8.5
57.03440	1.2
57.07082	3.2
65.03937	1.1
67.05507	29.3
69.07069	8.3
70.68971	0.5
71.05000	1.5
71.08629	0.9
77.03922	0.7
79.05495	37.4
81.07057	34.2
81.49467	0.2
83.04968	0.5
83.08621	5.5
85.06553	2.6
85.10188	0.3
91.05483	19.8
93.07046	51.2
95.04964	1.8
95.08610	26.4
97.06538	2.5
97.10176	2.4
99.08100	2.5
100.33284	0.2
105.04528	1.0
105.07036	12.9
107.08597	33.2
109.06532	1.3
109.10159	11.0
111.08078	2.3
111.11732	0.4
113.09650	1.3
117.07024	5.0
119.06089	0.4
119.08582	11.0
121.10147	32.4
123.08051	1.0
123.11704	3.2
125.09628	1.2
127.11203	0.2
129.06961	0.3
130.07829	0.3
131.08577	10.0
133.10138	10.0
135.11693	25.9
137.09604	1.0
137.13275	1.3
139.11208	0.6
140.16145	0.2
143.08557	0.4
145.10124	10.5
147.10504	0.4
147.11688	8.4
149.02397	0.4
149.09618	0.6
149.13260	21.7
151.11172	0.7
151.14844	0.6
153.12741	0.7
158.05995	0.4
159.11694	7.9
161.13257	8.8
163.11159	0.7
163.14824	15.1
165.12827	1.1
171.11668	0.3
172.68727	0.2
173.13264	7.5
175.14825	3.2
177.12773	0.7
177.16391	4.7
177.17839	0.3
179.14339	1.3
187.14821	5.5
187.16466	0.3
189.16412	1.1
191.14294	0.5
193.15881	0.3
201.16394	2.2
203.17975	0.4
205.15842	0.6
215.17924	1.2
217.19498	0.6
219.17404	0.7
233.22722	1.2
243.21085	25.8
261.22134	100.0
262.22504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02364	0.3
53.03942	1.3
55.01870	0.4
55.05513	8.6
57.03443	0.7
57.07082	3.2
65.03938	1.4
67.05506	28.1
69.07070	8.2
69.07454	0.3
71.04988	1.0
71.08633	1.0
77.03934	0.8
79.05495	37.0
81.07059	31.9
83.04984	0.8
83.08619	5.3
85.06539	2.7
91.05482	18.8
93.07046	53.0
95.04982	1.6
95.08610	25.1
96.59167	0.3
97.06540	2.3
97.10187	2.0
98.21525	0.5
99.08109	2.2
105.04507	0.8
105.07032	11.9
107.08598	34.7
109.06512	1.0
109.10159	11.4
111.08073	2.1
111.11697	0.3
113.09647	1.1
115.05483	0.4
117.07021	4.5
119.06075	0.4
119.07718	0.4
119.08582	11.2
121.10147	31.4
123.08054	0.6
123.11711	3.2
125.09647	0.8
127.11227	0.3
130.07770	0.4
131.08571	11.0
133.10133	9.4
135.11696	26.6
137.09602	1.3
137.13257	1.1
139.11189	0.6
145.10127	9.7
147.11693	9.5
149.02350	0.4
149.09630	0.6
149.13263	21.2
150.42224	0.3
151.11179	0.8
151.14830	0.7
153.12756	0.6
159.11700	7.8
161.13257	9.8
163.11238	0.4
163.14824	17.6
165.12755	1.0
171.11745	0.3
173.13261	8.0
175.14833	3.3
177.12819	0.3
177.16376	4.5
179.14334	1.2
187.14832	6.2
189.16330	0.8
191.14310	0.5
193.15871	0.3
201.16365	2.7
203.17967	0.5
205.15758	0.5
215.17902	1.5
217.19525	0.5
219.17474	0.7
233.22662	1.1
243.21085	26.5
261.22137	100.0
262.22421	0.5
276.11359	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
53.03729	0.2
53.03948	1.6
55.01877	0.3
55.05511	10.4
57.03428	1.2
57.07071	3.6
59.05000	0.2
60.24020	0.2
60.43996	0.3
62.03588	0.3
65.03941	1.6
67.05504	31.7
69.07068	8.9
71.04990	1.5
71.08627	1.0
75.84130	0.2
77.03924	0.8
79.05492	38.6
81.03416	0.4
81.07056	37.1
83.04971	0.9
83.08610	6.1
85.06549	2.8
91.05479	19.8
93.07041	56.4
95.04971	2.8
95.08606	27.8
97.06531	2.6
97.09583	0.4
97.10146	2.0
99.08102	3.0
105.04517	1.2
105.06306	0.5
105.07030	13.8
107.08592	34.8
109.06503	1.8
109.10159	11.8
111.04395	0.3
111.08070	2.6
111.11723	0.5
113.09640	1.0
115.05439	0.4
117.07014	5.9
119.06088	0.5
119.08576	12.1
121.06550	0.7
121.10143	34.3
123.08073	1.3
123.10802	0.4
123.11697	3.6
125.09622	1.0
127.11212	0.3
129.07030	0.4
130.06480	0.3
130.07843	0.3
131.08571	10.7
133.10133	10.9
135.08031	0.9
135.11688	26.0
137.09608	1.3
137.13232	1.0
139.11194	0.8
143.08582	0.3
145.10127	11.7
147.08057	0.4
147.11688	9.2
149.02370	1.4
149.03436	0.3
149.09625	0.7
149.13258	21.0
151.11142	0.9
151.14786	1.0
153.12714	1.0
157.10121	0.5
158.06026	0.4
159.11685	8.3
161.13257	9.8
163.11197	0.7
163.14821	19.0
165.12755	1.2
165.16425	0.3
171.11659	0.5
173.09659	0.4
173.13260	8.6
175.14838	3.4
177.12714	0.5
177.16383	5.7
179.14314	1.5
187.14824	5.5
189.16389	1.0
191.14288	0.3
201.12784	0.5
201.16370	2.9
203.17906	0.4
205.15915	0.8
215.17996	1.3
217.19579	0.5
219.17444	0.9
233.22621	1.1
243.13930	0.6
243.21083	27.3
261.22131	100.0
262.22412	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1448
Annotation	Glu Leu
Peak:m/z	Relative Intensity
55.05510	0.9
56.05035	7.1
56.86560	0.5
60.04532	0.6
62.74608	0.6
69.07066	1.3
69.94421	0.6
70.06589	3.4
70.47479	2.0
76.02232	0.7
79.91689	0.6
84.04508	100.0
84.08146	5.0
85.02902	2.1
85.08483	1.1
86.09710	95.2
91.05493	1.7
97.02926	0.7
98.06062	15.7
98.98477	0.8
99.05784	1.2
99.06387	13.2
100.07629	0.9
102.05548	16.4
108.64433	0.6
113.07144	1.3
115.25880	0.6
120.08150	1.8
124.19006	0.6
129.06612	5.1
129.10251	1.2
132.10210	54.5
133.10185	1.0
136.07600	1.4
141.06599	3.5
142.67503	0.6
144.12169	0.7
149.02342	0.8
151.35678	0.5
152.10709	0.7
167.07037	0.8
179.72621	0.6
181.04930	1.6
188.78099	0.6
197.12860	58.8
225.12338	6.3
243.11011	2.3
243.13414	66.0
261.11841	1.9
261.14481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1448
Annotation	CHEBI:73506
Peak:m/z	Relative Intensity
55.01871	0.7
55.05510	0.8
56.05043	7.9
60.04510	0.6
60.05626	0.8
67.05496	0.6
67.45547	0.6
69.07064	1.3
70.06614	3.8
70.89914	0.6
70.90223	0.9
82.43185	0.5
84.04513	100.0
84.08160	6.6
85.02917	4.3
85.08464	0.6
86.09713	94.3
87.10052	1.3
91.05478	0.9
98.06062	15.4
98.97558	0.9
98.98494	2.0
99.05753	0.5
99.06387	10.9
100.07583	0.7
102.05556	17.0
110.07176	1.1
113.07124	1.8
120.08058	1.2
121.06512	1.0
126.43719	0.7
129.06598	4.0
129.10269	1.7
130.06477	0.8
132.10220	49.4
136.07629	1.2
141.06607	2.8
144.12167	1.2
149.02365	1.8
152.10736	1.0
158.06071	0.7
180.17494	0.6
181.04953	1.2
188.11217	1.8
188.44687	0.6
197.12875	57.6
197.77760	0.7
198.11485	0.7
225.12378	6.0
243.13422	64.4
244.13826	0.9
261.11798	1.7
261.14520	1.5
262.13052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1607
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
56.05032	8.1
60.04516	3.3
60.05629	2.4
61.94068	1.0
67.05492	1.4
69.07056	1.7
69.97881	3.5
69.98267	2.2
70.06601	8.8
72.08158	1.3
83.06107	74.7
84.04508	89.1
84.08147	25.5
85.02892	2.4
86.09709	88.3
91.05485	2.4
98.06056	20.7
98.97553	1.1
101.07143	8.6
105.29639	1.0
110.07126	1.2
112.08717	1.0
113.07109	2.1
120.49506	0.9
129.06599	4.9
129.10228	6.0
130.04994	1.4
132.10213	36.9
135.06749	1.3
136.07588	3.9
141.06615	3.3
143.11810	3.7
147.11284	2.6
148.07602	1.7
152.10719	1.4
155.08116	1.0
156.10077	1.8
157.13361	2.6
181.27103	1.0
188.11208	6.8
196.14465	12.1
197.12863	36.7
225.10187	1.1
225.12357	5.4
242.01659	1.0
242.15009	100.0
243.13428	54.9
243.15363	0.9
260.11349	3.0
260.15973	4.5
260.19669	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	260.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.4
56.05032	7.6
56.99439	1.0
60.04535	5.2
60.05650	3.1
60.20966	1.0
67.05507	1.4
67.09501	1.0
68.05046	1.0
69.07076	2.1
69.85806	4.6
69.86211	1.7
70.06609	10.2
72.08162	1.2
83.06113	69.3
84.04513	98.7
84.08154	32.5
85.02917	2.0
86.09712	88.0
91.05456	1.3
98.06062	30.4
98.09701	1.5
101.07146	10.2
110.07177	2.1
112.08767	1.8
113.07143	2.0
119.88272	1.0
129.06599	4.8
129.10248	5.0
130.08640	1.5
132.10222	32.6
136.07590	3.8
141.06631	2.9
143.11900	1.3
147.11276	2.4
148.07613	1.7
155.08131	1.2
156.10086	1.3
157.13359	2.8
181.56126	1.0
188.11189	3.6
196.14471	11.3
197.12871	38.2
198.11276	2.4
225.10112	1.3
225.12358	4.4
230.94443	1.2
233.73636	1.1
242.15009	100.0
243.13437	52.3
243.16423	1.0
243.17047	1.3
258.60663	1.0
260.11426	5.0
260.16129	6.1
260.19650	1.9
277.19604	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	260.1131
Annotation	Proacacipetalin
Peak:m/z	Relative Intensity
55.05515	3.8
58.99587	0.2
66.43396	0.2
69.03429	0.7
70.06595	2.6
70.65514	0.4
76.02229	0.8
77.45750	0.2
80.05024	0.3
81.03419	0.4
83.42488	0.2
84.04523	0.5
84.08161	1.2
85.02912	2.2
86.09702	1.1
91.05496	0.6
97.02915	0.5
98.06061	100.0
101.07143	0.8
109.02870	0.2
110.06035	1.2
112.07585	0.4
116.01680	0.3
119.84183	0.2
127.03990	0.2
128.67580	0.2
129.06604	0.4
129.10245	0.2
132.10229	0.5
133.10135	0.8
136.07593	0.2
140.07065	2.2
144.66414	0.2
145.05028	0.2
153.00732	0.2
162.02176	0.3
164.07149	0.2
164.10738	0.3
179.04959	0.5
188.11197	0.2
206.99222	0.2
242.10257	4.5
242.12605	0.3
246.89816	0.2
260.11310	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	260.1133
Annotation	Proacacipetalin
Peak:m/z	Relative Intensity
53.03954	0.4
55.05513	3.8
56.05045	1.2
57.03427	0.4
57.22542	0.2
58.99593	0.6
60.04532	2.5
60.05647	1.5
64.01783	0.2
65.06127	0.2
67.05495	1.2
68.05035	0.6
69.03436	0.5
69.05800	0.5
69.07089	0.4
70.06210	0.4
70.06594	7.4
70.60200	0.6
70.60538	0.4
71.04986	0.3
71.06908	0.3
72.08145	0.3
76.02221	2.0
79.05490	0.8
80.05013	0.3
81.03411	0.5
81.07045	0.2
82.06613	0.4
84.04503	1.2
84.08147	16.9
85.02908	2.1
85.07670	0.4
85.08501	0.3
86.09706	2.0
88.04002	0.4
91.05484	2.8
95.04979	0.5
96.04475	0.5
97.02896	0.5
97.07664	0.3
98.06059	100.0
98.09672	1.5
101.00883	0.7
101.10764	0.4
102.06278	0.4
105.07066	0.3
107.04992	0.3
110.06042	1.1
110.07133	0.4
112.07610	0.4
112.08744	1.0
113.07140	1.1
116.01678	0.7
116.97186	0.3
119.01917	0.8
119.04932	0.7
120.08113	0.7
123.04340	0.2
125.43293	0.3
129.10252	3.7
130.04980	0.5
130.06540	0.3
131.08658	0.3
132.70715	0.3
133.10144	1.9
134.06026	0.4
135.06816	1.0
136.07593	2.6
137.07094	0.4
138.06567	0.4
140.07063	1.7
140.14362	0.6
142.03249	0.5
143.01924	0.4
144.08098	0.3
145.08476	0.3
147.06891	0.2
147.08072	0.8
147.11290	0.7
148.07605	1.1
149.09598	0.3
155.08131	0.3
156.10001	0.8
162.02232	0.8
164.10716	1.8
169.10500	0.6
177.02573	0.3
179.04826	1.1
182.10834	0.4
183.36563	0.2
188.11188	3.7
193.09749	0.3
197.44379	1.4
199.61731	0.3
225.09709	0.4
226.15373	0.3
233.05901	0.4
236.98970	0.5
242.10268	3.5
242.12488	0.5
243.08614	0.3
243.17207	0.4
260.11298	7.3
260.14197	0.3
260.19836	1.7
260.54657	0.4
263.44528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
54.28133	1.7
55.01859	1.8
55.05505	12.4
55.48272	1.8
57.03445	12.1
57.07065	7.0
67.05509	18.8
69.07071	9.0
69.12021	1.9
69.64134	5.4
69.64551	4.4
70.06575	1.7
71.08635	1.9
76.08756	1.7
79.05495	17.5
81.07063	20.4
81.65600	1.7
83.08627	8.9
85.06530	2.3
91.05485	41.4
93.07045	20.1
95.05035	2.1
95.08615	18.6
97.06532	1.6
97.10150	3.2
98.20819	3.8
99.08093	3.8
103.05473	2.7
105.07037	70.1
106.88765	1.7
107.08564	9.8
109.10157	6.9
112.24883	1.9
115.05469	3.7
116.06247	2.0
117.07019	57.8
119.08585	44.0
121.10139	8.8
125.09597	2.1
128.06215	6.6
129.01826	1.7
129.07004	21.5
130.07790	3.4
131.08569	68.0
133.10139	69.2
135.11685	4.9
139.11156	3.5
142.07784	5.8
143.08571	25.9
145.10126	45.7
147.11693	37.4
149.09637	2.9
157.10117	16.6
159.11700	82.5
161.13269	11.5
163.11237	2.8
171.11687	26.3
173.13266	56.4
173.14725	3.7
175.11128	2.6
175.14859	6.4
177.12762	2.8
185.13261	27.6
187.14841	39.6
199.14848	19.8
201.16417	2.5
213.16388	4.8
231.25034	3.9
241.19505	48.6
241.23520	3.6
253.08507	1.9
259.14902	3.3
259.18048	4.1
259.20575	100.0
259.24683	7.8
266.62521	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.8
55.01849	1.8
55.05515	11.3
57.07062	4.4
67.05500	12.0
69.07070	38.5
70.81598	2.3
70.81924	2.9
71.04657	2.4
71.05001	31.4
72.63431	1.6
79.05499	9.5
81.07059	22.6
83.04980	5.4
83.08621	9.9
85.06549	24.9
87.67109	1.9
91.05482	13.3
93.07052	17.3
95.04961	3.9
95.08611	18.0
96.11077	2.0
97.06530	6.4
99.08108	1.7
105.03394	6.3
105.07024	31.6
107.08598	20.7
109.06513	12.7
109.10149	14.6
111.08088	18.5
113.09654	2.0
116.06214	1.8
116.56526	1.7
117.07011	7.6
119.08584	61.7
120.09410	2.1
121.10170	19.4
123.11708	26.1
128.06163	1.8
129.01816	4.6
129.06987	4.4
131.08578	18.2
133.10141	36.4
135.08037	23.6
135.11708	6.6
137.09599	4.7
142.07784	2.5
143.08571	5.2
144.09328	3.7
145.10133	39.3
145.78954	2.0
147.08017	2.3
147.11674	22.6
149.09653	3.1
149.13263	2.9
155.08644	1.8
156.09370	4.1
157.10123	13.0
159.11705	34.8
160.12495	3.2
161.13257	41.3
163.11182	4.2
170.10968	3.4
171.11691	15.9
173.13249	9.9
175.11263	5.0
175.14830	100.0
176.15616	5.6
177.12733	5.9
177.16394	4.8
185.13246	17.6
189.12738	4.2
189.16385	5.2
190.13509	3.1
199.14867	6.5
201.16385	24.3
203.14258	9.8
215.18045	5.5
217.19533	2.9
241.19493	17.6
259.11328	3.0
259.20602	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03934	2.7
55.01867	2.2
55.05516	10.3
57.07072	3.3
61.41355	1.3
67.05518	9.5
69.07069	35.1
69.46378	7.8
71.04993	29.4
75.29972	1.3
75.32715	1.6
79.05495	7.4
81.07059	18.5
83.04966	5.4
83.08620	8.2
85.06079	2.0
85.06547	23.6
91.05490	11.5
93.07053	19.6
95.04960	3.7
95.08607	17.5
97.06550	6.4
99.08118	2.5
105.06400	2.1
105.07038	26.9
107.08595	19.8
109.06529	8.4
109.10169	12.4
111.08087	16.2
111.11681	1.2
117.07029	7.7
119.08589	65.9
120.09399	1.9
121.10137	13.1
121.76646	1.4
123.08001	2.7
123.11713	24.5
125.09653	1.8
129.06989	2.9
131.08575	14.0
133.10129	36.9
135.08064	20.0
135.11713	3.4
137.09599	4.3
137.13237	1.6
142.07759	3.3
143.08559	7.0
144.09341	2.5
145.10129	30.7
147.07887	1.9
147.11700	22.7
149.09625	1.8
149.13225	2.5
151.11136	1.9
156.09294	2.5
157.10126	10.1
159.11699	31.0
160.12456	2.6
161.09569	2.3
161.13274	41.4
163.11176	2.6
163.14824	1.5
165.12729	1.5
171.11713	15.8
173.13298	12.6
175.11189	5.9
175.14833	100.0
176.15607	5.7
177.12747	3.9
177.16388	5.5
184.36317	1.4
185.13286	14.4
186.14142	1.5
187.14769	2.0
189.12740	5.3
189.16394	4.9
190.13464	2.7
191.14343	2.6
199.14780	6.3
201.16391	26.2
203.14308	8.6
214.64104	1.2
215.17970	5.8
217.19598	2.5
229.15770	2.4
241.19548	13.9
250.61343	1.4
259.20578	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.0
57.07058	3.3
64.84713	1.8
65.39169	1.6
65.74500	1.6
67.05506	9.4
69.03397	2.2
69.07070	34.6
70.76197	2.8
70.76501	2.1
70.87309	1.7
71.04997	28.9
79.05511	9.3
81.07066	19.8
83.04961	5.2
83.08604	6.6
85.06544	23.6
88.84170	2.0
91.05489	10.9
93.07070	15.5
95.04969	4.3
95.08630	16.9
97.06527	6.2
97.10194	1.9
105.07036	28.9
107.08588	24.2
109.06515	11.3
109.10178	16.0
111.08085	19.9
111.11670	2.5
115.05416	2.4
117.07004	7.5
119.08589	61.5
119.85634	1.8
121.10152	14.9
123.08040	3.4
123.11710	25.3
130.07758	2.4
131.08563	16.0
133.10133	40.3
135.08054	19.6
135.11684	6.5
137.09659	3.8
139.37495	1.7
142.07802	2.6
143.08569	8.3
145.10135	28.6
147.10619	3.4
147.11681	22.5
149.09573	3.6
149.13240	3.3
151.11147	2.2
151.14853	1.8
156.09279	2.7
157.10117	13.9
159.11682	33.2
160.12509	5.3
161.09633	2.4
161.13254	41.8
163.11179	2.7
165.12714	2.6
170.10979	2.8
171.11685	16.5
173.13260	9.8
175.11240	5.0
175.14833	99.5
176.15619	7.1
177.12735	5.0
177.16362	3.6
185.13295	15.2
189.12692	4.2
189.16415	9.2
190.13577	2.9
199.14868	5.4
201.16405	23.7
203.14278	14.6
215.17929	6.0
217.19507	3.8
233.58195	1.8
241.19489	18.5
259.20590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98640	0.3
56.96566	6.5
59.04464	0.1
69.39877	0.1
69.56811	0.3
69.57227	0.5
71.95271	2.0
74.52646	0.1
77.64422	0.1
84.08149	0.2
98.97585	100.0
100.97199	0.7
100.98035	0.4
116.98624	35.5
118.98236	0.3
118.99062	0.3
119.01906	0.2
119.50668	0.1
134.30055	0.1
134.99661	6.5
138.95590	0.2
140.00211	0.8
153.00658	0.3
158.01234	0.2
174.97673	0.3
181.97424	0.2
216.98613	0.6
219.02092	0.1
234.99709	0.4
240.98639	3.9
258.99762	46.3
259.99857	0.4
261.00366	0.2
273.01309	0.1
277.00806	42.8
278.00925	0.3
279.01199	0.2
279.75754	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	258.2069
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
55.05513	3.2
56.05029	0.7
56.05819	0.3
57.03442	0.4
57.07078	3.5
58.06607	3.1
60.04530	11.6
67.04277	0.3
67.05508	15.6
68.05020	0.8
69.03437	1.5
69.07078	4.3
70.06596	6.9
70.07406	0.3
71.04972	0.6
71.07361	0.4
71.51872	0.4
72.08144	1.0
79.05499	2.7
81.07062	6.0
82.06563	1.2
83.04966	1.1
83.07393	0.6
83.08622	0.4
84.08152	19.0
85.06557	0.6
86.06086	0.6
86.09695	1.0
91.05469	1.0
93.07037	1.7
93.54927	0.3
94.06592	0.3
94.07353	0.3
95.08613	1.9
96.08155	1.6
96.08892	0.3
97.06516	0.5
97.08926	1.7
98.06016	0.4
98.09698	24.3
103.07578	0.5
105.07011	0.5
107.08609	1.1
108.08144	0.5
109.08966	0.6
109.10168	5.5
110.09673	1.1
111.04438	0.4
111.11707	1.0
112.11257	3.0
113.06012	0.4
119.08570	0.4
121.06516	0.7
122.09562	0.4
124.11195	0.9
125.09621	1.0
129.10269	0.4
138.09987	0.4
138.12784	2.9
139.13545	1.0
142.12247	0.4
156.13850	37.6
164.03058	0.3
174.14905	5.0
176.15181	0.4
180.10144	0.6
187.40315	0.4
215.03226	0.3
240.12286	0.7
258.20660	100.0
263.60397	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1854
Annotation	Montiporyne E
Peak:m/z	Relative Intensity
55.05515	18.1
57.03438	2.8
57.07075	5.5
65.27323	2.8
67.05506	7.2
69.03425	4.9
69.07056	9.1
70.06596	6.6
71.04996	3.1
72.08131	3.2
79.05490	7.9
81.07049	7.2
82.06565	3.7
83.08619	3.2
84.08147	6.3
84.14793	3.1
86.09675	4.2
89.41594	2.6
91.05486	20.2
93.07037	8.9
95.03473	5.6
95.04907	4.0
95.08596	4.8
98.09702	4.0
100.46816	2.9
103.05464	7.3
104.05805	2.4
105.07040	25.4
107.08566	3.9
110.06052	25.3
115.05437	4.3
117.07044	19.8
118.54385	2.7
119.08585	19.6
120.08093	4.3
121.06527	5.9
121.10035	2.8
124.07535	3.5
127.02547	2.7
128.06226	23.4
129.07014	28.1
129.10205	2.9
130.07831	6.6
131.04974	4.6
131.08578	33.6
132.05269	6.1
133.10121	6.6
138.09140	5.6
141.06985	10.5
142.07809	17.3
143.08585	54.3
145.06532	4.7
145.10135	37.1
146.10555	5.1
150.08905	3.4
151.08681	3.1
152.06859	3.1
153.01813	10.9
154.02158	10.6
155.08575	10.8
156.09328	7.2
157.06514	3.6
157.10144	39.3
158.07225	3.8
159.08060	11.0
159.11714	13.5
160.07603	6.0
161.13289	13.1
169.06549	4.1
169.10069	8.9
171.08080	26.7
171.11717	21.2
172.08910	3.1
172.11256	3.4
173.09613	9.2
173.13304	12.2
174.09129	22.8
175.09908	11.2
179.08582	3.1
181.10135	9.9
183.08014	6.4
184.08864	5.1
185.09634	19.6
185.13222	10.3
186.09142	29.8
186.13960	3.2
187.11156	8.0
188.10710	3.9
189.09154	8.8
189.11432	8.9
197.09610	6.9
198.10403	7.2
199.11163	27.9
200.10591	3.7
201.11411	3.0
212.11916	3.2
213.16399	26.7
215.12971	3.8
215.18045	5.6
217.11891	3.2
223.14928	3.6
229.14503	5.0
240.17583	8.9
241.15881	35.2
258.08417	21.2
258.11374	8.8
258.18582	100.0
258.21890	5.2
258.27423	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	258.2066
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
53.26257	0.3
55.05511	3.4
57.03436	1.5
58.06594	0.8
59.04987	0.6
59.56643	0.3
67.05186	0.4
67.05514	6.0
69.07057	1.3
70.06599	7.6
70.27683	0.6
70.28059	0.7
72.08157	2.3
73.06552	1.6
81.07059	1.4
81.18503	0.3
83.04994	1.0
84.04511	0.5
84.08151	5.6
86.09711	4.1
88.07664	0.5
88.64344	0.3
93.07057	0.5
95.08592	0.7
96.08118	0.5
98.09697	87.1
99.10022	0.7
101.06042	1.6
109.10152	1.7
110.07192	0.5
111.10445	0.9
112.08752	0.4
112.11256	0.8
120.08083	0.9
123.08064	1.1
129.10245	0.6
132.10146	0.4
138.91098	0.4
140.14348	47.2
149.05974	0.7
153.05466	0.4
158.15419	7.7
166.08658	4.9
209.08209	0.4
214.17984	0.8
258.20660	100.0
258.65851	0.3
259.21207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06491	0.3
55.05489	0.4
57.07045	0.5
69.07034	0.3
70.06606	1.3
70.06914	0.3
71.06908	0.5
71.08624	0.3
81.07028	0.4
84.08121	0.6
88.07610	1.1
89.07929	0.3
91.05467	0.5
93.07008	0.3
98.09709	0.4
98.10445	0.3
102.09165	0.7
103.09502	0.4
105.07009	0.5
108.07967	0.3
112.03983	0.3
117.07000	0.4
119.08614	1.3
121.34026	0.3
128.06175	0.7
129.07001	0.7
129.10291	0.3
131.08524	0.5
141.06976	0.5
142.07765	3.9
143.08591	1.3
144.09340	0.3
145.06494	0.3
145.10124	0.3
147.08017	0.9
155.08463	0.3
157.06479	0.3
157.10132	4.4
159.08006	1.0
159.11700	1.4
167.08505	0.6
169.10098	0.4
170.07285	3.1
171.04584	0.3
171.42311	0.2
173.05930	1.3
174.09148	2.7
175.07542	0.8
185.06020	0.6
185.09607	6.5
186.06750	0.8
187.11157	1.1
198.06757	4.6
199.07591	0.4
200.08319	3.6
202.08621	3.1
202.21722	0.4
212.19980	0.4
213.09102	100.0
214.09471	0.6
215.10661	2.9
229.48026	0.3
230.24785	0.4
241.08632	3.4
257.26697	3.5
258.11264	10.4
258.13959	0.4
258.18555	0.7
258.22427	0.5
258.26956	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	258.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	0.4
55.05517	1.3
58.06606	0.7
67.05506	9.8
69.07078	2.1
69.47194	2.0
69.47612	1.1
70.06592	8.6
72.08144	3.1
72.93795	0.7
77.22189	0.5
81.07063	2.3
83.97399	0.4
84.08147	8.3
86.09714	6.2
87.05630	0.7
96.08136	0.6
97.32734	0.4
98.09695	60.6
99.77222	0.4
101.02399	1.3
105.38005	0.4
109.10154	3.3
111.10468	1.1
112.11258	1.0
114.11243	0.5
120.15855	0.4
129.10228	1.7
130.08583	0.6
132.95830	1.1
133.06064	0.5
140.14345	40.6
143.11774	0.5
144.95834	0.8
156.95898	0.5
158.15410	2.8
158.97418	1.7
186.96825	0.4
198.96780	0.7
216.97929	0.6
234.99011	3.8
258.00522	0.9
258.17017	100.0
260.39374	0.4
278.82245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05318	0.5
55.05516	4.9
57.07065	2.1
61.01504	0.5
67.05248	0.4
67.05510	5.4
69.07078	5.5
70.05826	1.6
71.08641	0.7
79.05481	2.1
81.07059	11.7
83.08617	2.8
91.05485	2.6
93.07044	9.9
95.08613	20.4
97.10173	1.7
102.11697	0.5
105.07038	9.0
107.08595	16.4
109.10162	12.6
111.11715	0.8
117.07035	1.5
119.08589	15.7
121.10148	14.9
123.11721	7.1
129.06989	0.8
131.08575	7.4
133.10136	15.1
135.11697	11.4
137.13255	2.5
140.97685	0.5
143.08589	1.5
144.09325	0.9
145.10127	13.7
147.11703	8.8
149.13264	8.0
151.14816	1.1
157.10172	1.2
158.10925	1.1
159.11703	14.7
161.13278	9.1
163.14824	5.4
171.11632	1.0
172.12454	0.7
173.13272	16.1
175.14828	6.1
177.16423	1.0
185.13269	1.3
187.14810	12.6
188.15480	0.8
189.16373	0.9
199.14885	0.9
200.15549	0.7
201.16380	12.2
213.16373	1.1
215.17946	5.8
215.88098	0.5
229.19513	1.5
239.17813	0.7
245.82832	0.6
257.22650	100.0
258.22949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03933	1.3
55.05513	5.4
57.03439	1.1
57.07072	1.3
67.05515	10.3
69.07076	4.6
70.06571	0.7
70.63653	1.3
71.04986	4.0
79.05491	4.9
81.07068	10.5
83.04980	1.7
83.08635	3.7
84.08149	1.3
85.06543	2.5
91.05479	11.1
93.07056	7.5
95.04977	1.9
95.08611	9.6
97.06530	1.6
97.10133	1.0
99.08076	1.7
99.37566	0.6
105.07035	14.0
107.08602	7.7
109.06530	3.7
109.10170	5.8
111.08095	1.8
115.05455	1.6
116.06253	1.1
117.06231	1.3
117.07023	15.3
119.08593	12.9
121.00775	0.8
121.06561	0.7
121.10154	14.8
123.08070	2.5
123.11731	1.0
128.06210	2.6
129.07019	10.3
130.07793	1.8
131.08580	29.0
133.06520	0.7
133.10150	9.9
135.08057	5.6
135.11673	2.7
137.09628	3.6
141.07031	3.0
142.07802	4.1
143.08577	14.2
144.09286	1.4
145.06514	1.2
145.10130	36.3
147.08083	1.6
147.11699	3.7
149.09622	2.8
153.06989	1.0
154.07845	0.8
155.08534	4.9
156.09335	2.5
157.10149	23.5
158.10942	2.8
159.08081	2.2
159.11703	28.7
160.08768	0.7
161.09679	3.3
161.13269	1.8
163.11185	2.6
167.08588	1.4
168.09386	2.4
169.10129	10.2
171.11713	16.4
173.09663	3.0
173.13280	22.2
174.14026	2.8
175.11214	4.2
175.14819	2.0
177.12817	1.4
181.10095	1.4
182.10861	1.3
183.11710	14.7
184.12436	2.1
185.13304	5.4
187.11227	5.2
187.14812	4.0
189.12764	2.3
195.11757	1.5
197.13289	11.0
199.14825	15.2
201.12750	7.6
201.16580	0.8
209.13266	1.3
210.14084	1.4
211.14868	2.8
213.16394	7.8
214.17081	1.6
215.14342	2.8
215.17982	5.5
224.15582	1.5
229.15941	1.0
229.19543	2.4
239.17966	21.8
257.19028	100.0
257.26645	2.8
258.27957	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01862	1.6
55.05510	4.8
57.03423	0.9
57.07074	2.0
59.04978	1.4
65.03931	1.1
67.05509	10.9
69.03416	1.1
69.07061	5.1
69.63530	1.8
69.63937	2.9
70.53101	0.8
71.04977	3.3
79.05494	8.5
81.07056	6.5
83.08620	1.9
84.08123	1.9
85.06549	2.7
87.83398	0.9
88.07627	0.8
88.91576	0.8
90.09242	0.8
91.05484	12.2
93.07051	22.6
95.04977	5.8
95.08610	9.7
96.32609	0.7
97.06510	1.1
99.08101	1.3
103.05497	1.9
105.07032	29.2
107.08597	19.5
109.06531	6.4
109.10162	10.9
111.08068	3.5
115.05469	3.1
117.07019	9.1
118.58054	0.8
119.06109	1.3
119.08588	24.3
121.10149	97.8
123.08089	4.3
123.11743	2.2
128.06190	2.4
129.06996	7.2
130.07758	1.3
131.08583	19.7
133.07655	2.0
133.10155	9.0
135.08063	27.9
135.11688	4.0
137.09602	6.1
141.07019	3.2
142.07793	4.5
143.08562	22.3
144.09351	1.8
145.10132	22.6
147.08035	1.8
147.11700	3.9
149.09615	5.1
151.11162	2.0
154.07765	1.4
154.95122	0.7
155.08598	4.5
156.09352	3.3
157.10138	21.6
158.10883	3.2
159.08142	1.0
159.11700	15.9
161.09628	1.3
161.13268	3.2
163.11189	4.3
168.09346	1.7
169.10120	9.8
170.10889	1.6
171.11693	11.4
173.09627	2.1
173.13264	18.1
175.11154	1.6
175.14949	0.9
177.12752	2.0
181.10291	1.0
182.10912	1.1
183.11713	9.1
184.12485	2.0
185.13269	2.8
187.11142	4.1
187.14787	2.0
189.12749	1.3
195.11687	1.4
196.12526	1.2
197.13240	8.8
199.14828	35.4
201.12746	4.1
209.13460	0.8
211.14832	2.6
213.16370	10.3
214.17256	1.2
215.14337	2.3
215.17970	6.6
224.15558	0.9
239.17960	19.3
257.19022	100.0
257.26465	4.3
257.30551	1.4
258.28036	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03930	0.9
55.01874	0.9
55.05513	2.9
57.03428	0.6
57.07076	1.3
65.03947	0.5
67.05513	4.9
69.03436	1.2
69.07066	4.2
70.06588	0.6
70.83194	1.7
71.04990	3.5
72.90305	0.5
78.24632	0.5
79.05502	6.7
81.07056	4.9
83.04990	1.7
83.08630	2.2
85.06529	3.0
88.07610	0.7
91.05480	8.1
93.07048	17.6
95.04984	4.9
95.08609	10.6
97.06511	1.7
99.08078	1.2
101.67331	0.6
103.05464	0.7
105.07039	21.6
107.08594	16.8
109.06521	5.7
109.10156	8.5
111.08074	3.2
115.05476	1.4
117.07023	6.3
119.08585	19.6
121.10147	69.9
123.08070	3.5
123.11737	2.6
128.06241	2.2
129.07030	4.1
130.07790	0.8
131.08569	11.1
133.07635	1.9
133.10143	10.6
135.08060	24.0
135.11722	2.8
137.09605	6.6
141.06992	1.0
142.07790	4.5
143.08566	13.9
144.09335	2.0
145.10130	14.4
147.08044	1.4
147.11699	3.6
149.09616	5.5
151.11177	2.2
155.08574	3.8
156.09363	3.1
157.10132	18.8
158.10915	2.3
159.08125	0.8
159.11697	15.2
161.09615	1.7
161.13251	2.6
163.11139	4.4
167.08572	0.8
168.09361	1.6
169.10120	8.6
170.10887	1.2
171.11678	9.4
172.12390	0.7
173.09648	2.1
173.13280	20.8
174.14021	1.7
175.11185	2.4
175.14845	1.5
177.12758	1.6
181.10059	0.8
182.10872	1.3
183.11696	9.2
184.12471	2.8
185.13300	1.9
187.11189	4.2
187.14798	4.6
189.12752	2.1
195.11749	1.7
197.13258	7.7
199.14818	32.0
201.12762	7.0
210.14008	1.0
211.14841	1.4
213.16373	10.0
214.17137	2.2
215.14381	2.2
215.17938	6.8
224.15649	1.3
239.17960	15.7
257.19012	100.0
257.26520	4.7
258.19424	0.9
258.27875	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1286
Annotation	Albonoursin
Peak:m/z	Relative Intensity
53.03945	1.6
55.05515	3.6
57.07064	0.7
65.03928	2.7
67.05173	0.8
67.05507	5.7
69.03439	0.9
69.07069	3.7
70.06596	1.6
71.04981	1.8
71.08638	1.0
71.51661	0.9
71.75925	0.8
77.03886	0.7
79.05485	3.4
81.07053	4.3
82.02919	0.7
83.04977	4.6
84.04484	0.9
84.08150	3.4
84.96488	0.6
85.02869	1.2
85.06546	1.3
86.09707	1.3
91.05477	2.2
92.05016	4.3
93.07033	4.0
94.06570	1.1
95.04960	2.2
95.08602	5.1
97.06513	2.4
99.08117	1.1
105.04494	1.0
105.07023	4.6
106.06548	1.3
107.04956	0.8
107.08610	3.2
109.10161	2.6
110.07135	1.8
111.04440	2.1
117.07013	1.7
119.08582	3.7
120.04499	3.7
120.08104	0.7
121.06472	1.0
121.10157	2.0
122.06029	2.6
125.05952	0.9
128.06245	1.1
128.55432	0.6
129.07028	1.8
129.10176	0.7
129.16451	0.6
130.07857	0.6
131.07634	0.6
131.08562	3.2
132.08110	1.1
133.10129	3.0
134.06030	1.3
135.11729	0.9
141.06993	1.2
142.06607	0.6
142.07773	1.9
143.07281	0.8
143.08571	2.7
144.08151	1.2
145.09094	0.9
145.10114	4.9
146.06006	0.9
147.08038	1.0
147.11687	1.6
148.03906	0.9
153.05466	0.8
153.07051	0.7
154.06526	1.8
154.07742	0.7
154.68250	0.7
155.08521	1.3
156.08131	1.1
156.09352	1.4
157.08928	1.1
157.10147	3.3
158.06015	1.1
159.09152	1.4
159.11717	3.2
160.07585	2.8
161.13295	1.1
167.08553	0.9
168.08110	2.0
169.07584	0.8
169.08870	2.6
169.10153	2.4
170.09677	1.1
171.09142	1.6
171.10403	1.1
171.11678	2.3
172.07578	1.4
172.09984	1.8
173.13298	2.2
174.09142	1.0
175.14766	1.0
182.11017	0.8
183.06845	1.2
183.09116	1.3
183.11720	1.7
184.07504	3.4
184.11215	4.1
185.07152	1.7
185.10788	3.4
186.09116	0.9
186.11479	6.5
186.12915	1.2
187.08647	3.7
187.14923	1.4
188.03690	0.7
188.10799	0.8
193.15942	2.0
194.09679	0.8
196.07712	1.1
197.08418	4.2
197.13292	1.4
199.08540	4.0
199.14807	4.5
200.09418	7.2
201.10225	1.8
201.13914	10.8
211.08725	1.5
211.12422	0.7
212.10692	9.8
213.06624	4.8
213.10127	4.3
214.07336	1.5
214.10776	5.9
215.11618	0.8
221.15324	2.1
224.09515	0.7
227.02109	0.8
227.08188	4.3
228.08911	7.3
229.09901	11.6
229.13359	44.2
239.11832	1.6
239.18100	1.6
240.10246	2.4
241.09691	4.8
242.10565	9.0
257.12872	100.0
257.22482	6.2
257.26523	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
58.06594	0.3
60.04525	0.5
67.05508	7.3
69.07064	0.9
69.61890	1.7
70.06597	6.4
70.06971	0.6
71.05001	1.7
79.32975	0.3
80.43668	0.3
81.07057	1.4
84.04504	1.5
84.08147	4.2
86.09698	0.8
87.98775	0.3
88.07626	0.7
93.28835	0.3
96.08121	0.4
96.29465	0.3
97.08906	0.2
98.09696	95.6
99.04466	0.7
103.68870	0.3
109.10143	1.4
110.07153	0.8
111.10487	1.3
112.11251	1.6
122.09660	0.4
124.04044	0.3
139.07475	0.5
140.14346	41.7
142.12317	0.4
156.07629	0.5
158.15443	1.0
166.12219	0.7
184.13306	1.1
256.15628	4.3
256.19080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
53.47534	0.5
53.72344	0.5
55.01852	0.6
55.05511	2.2
57.03439	0.8
57.07066	0.8
58.06561	0.5
59.84456	0.5
65.03945	3.5
67.05506	4.1
69.07069	3.0
70.06580	1.9
71.04974	0.8
71.51813	0.7
79.05497	2.7
81.07055	4.4
82.02921	0.6
83.04990	3.1
84.08137	2.0
85.06535	1.5
86.09705	1.0
91.05471	2.3
92.05006	5.1
92.40595	0.6
93.05802	0.8
93.07040	2.5
94.06559	1.8
95.04960	1.9
95.08613	3.8
97.06514	1.6
105.04552	0.8
105.07033	4.3
106.06550	0.9
107.08586	2.3
108.08118	0.8
109.10155	2.1
110.06027	0.8
110.07159	0.9
111.04437	1.7
112.95686	0.6
113.05985	0.7
115.05482	0.8
117.07020	1.7
119.08602	3.1
120.04463	4.8
120.08098	1.0
121.06490	0.8
121.10130	1.9
122.06061	2.6
123.11683	1.0
125.06015	0.8
128.06226	1.2
129.07005	2.2
131.07385	0.8
131.08577	2.4
132.08076	0.6
133.10133	1.8
134.06026	0.8
136.07568	1.3
141.06949	0.9
142.06631	0.7
142.07777	1.3
143.07123	0.6
143.08563	2.8
144.08112	1.0
145.10114	4.1
147.07977	0.6
147.11681	1.2
149.13307	0.8
153.05458	1.1
154.06544	1.5
154.07736	1.1
155.07333	0.9
155.08554	1.1
156.08159	1.0
156.09364	0.8
157.08911	1.2
157.10146	2.5
158.05997	0.9
159.09227	1.7
159.11700	3.0
160.07622	1.5
161.13222	1.2
163.08606	0.7
167.08598	1.0
168.06879	0.7
168.08127	1.9
169.08897	4.0
169.10194	2.1
170.06033	0.6
170.09659	1.2
171.09221	1.3
171.10443	1.1
171.11696	2.4
172.07593	1.1
172.09959	2.5
173.10814	0.9
173.13281	1.9
174.09163	0.9
175.14923	0.8
182.06122	0.7
183.06740	1.2
183.09254	1.6
183.11737	1.5
184.07666	2.9
184.11224	5.0
185.07014	1.4
185.10765	3.0
185.13332	1.0
186.11522	8.4
186.12943	1.3
187.08638	5.3
187.14943	0.7
188.10768	0.7
193.15891	1.7
194.09683	0.6
197.08330	4.2
197.13214	1.4
198.09206	1.3
199.08498	3.7
199.14822	3.1
200.09409	6.6
200.13162	0.8
201.06560	0.8
201.10287	2.3
201.13881	8.7
201.15746	0.8
201.16422	0.8
202.12260	1.2
211.08627	2.2
211.12210	1.1
211.14720	0.5
212.10715	10.3
213.06624	6.1
213.10255	5.0
214.07431	1.1
214.10739	5.5
214.12648	1.4
221.15387	1.7
225.11089	0.7
227.08171	5.6
228.08911	8.3
229.09854	13.4
229.13367	40.4
239.12038	1.0
239.14220	0.8
239.18167	0.9
240.10205	1.7
241.09779	5.8
242.10518	8.0
257.12869	100.0
257.22491	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	256.1546
Annotation	Meteloidine
Peak:m/z	Relative Intensity
53.92610	0.3
55.01876	0.7
55.05517	0.6
58.06612	0.5
67.05517	1.0
68.05035	0.8
69.03448	0.3
69.07085	0.7
69.21254	2.5
70.02962	0.3
70.06602	2.1
72.04536	1.4
72.08145	0.3
72.28584	0.3
74.06088	1.3
79.05508	0.4
81.03469	0.3
81.07080	0.5
82.06610	0.4
84.04507	0.5
86.09716	0.4
88.07647	9.4
93.05799	0.3
93.07053	1.3
94.06579	1.6
95.04996	0.5
95.08635	0.8
96.04513	0.5
97.02905	4.3
98.09694	3.4
98.21545	0.6
100.07643	0.3
103.72487	0.3
105.07005	0.4
111.08078	0.8
112.07631	2.5
114.05548	3.2
121.06528	0.5
122.06056	0.4
122.09689	4.3
123.08065	0.9
124.07584	1.9
124.11250	0.3
136.11189	0.3
138.09169	0.6
138.12828	0.6
139.07564	10.5
139.09914	0.4
140.07106	0.7
140.10728	1.3
140.14397	1.8
141.07858	0.4
142.12305	1.1
156.13873	1.3
164.10759	0.6
166.12314	11.3
166.15979	0.6
168.13799	0.3
184.13361	44.9
194.15440	2.2
208.13391	1.1
226.14378	3.5
256.15466	100.0
257.15915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1547
Annotation	Meteloidine
Peak:m/z	Relative Intensity
50.34847	0.3
53.03946	0.5
55.01862	0.8
55.05518	1.8
56.05031	1.2
57.03426	0.5
58.06586	0.4
60.04524	0.6
61.57479	0.3
67.05231	0.3
67.05513	3.4
67.55936	0.4
68.05016	0.5
69.03428	1.2
69.07067	0.8
69.94183	1.4
70.06598	2.1
71.01343	0.8
71.04981	1.3
72.04524	20.1
74.06091	7.0
79.05515	2.0
81.07070	3.6
82.06597	3.3
83.04977	1.3
84.08157	1.9
85.02901	1.1
86.06082	0.4
88.07636	2.8
91.05480	0.5
93.05771	0.4
93.07057	2.9
94.06565	0.9
95.08611	2.9
96.04507	3.3
96.08138	0.4
97.02910	2.4
97.06539	0.4
97.10201	0.4
98.06071	1.0
98.09705	3.6
98.21415	0.5
98.97591	0.9
99.04468	0.4
100.07621	0.8
106.06524	0.4
107.08578	0.6
109.10159	1.5
110.09669	0.3
111.04469	0.5
112.07603	0.9
112.11243	0.4
114.05550	3.7
116.07104	1.1
121.06523	0.5
121.10154	1.1
122.06044	0.4
122.09694	3.4
123.08040	0.6
124.04039	0.3
124.07585	2.4
124.11221	0.4
131.08592	0.5
138.09151	0.4
138.12823	0.7
139.07553	4.8
140.07127	1.5
140.10683	0.4
140.14314	0.5
142.05061	0.6
142.12273	1.2
144.06544	0.4
154.12274	0.4
156.13853	3.3
164.10754	1.3
166.08629	0.5
166.12302	18.4
166.15903	1.9
168.06548	0.5
168.13907	3.3
174.03705	0.3
184.13361	11.7
186.14923	15.3
194.15421	7.3
208.13353	3.6
219.01797	0.5
226.14404	3.8
230.53787	0.3
235.55760	0.4
237.02643	0.5
238.14413	7.5
247.39500	0.3
256.15466	100.0
256.18893	3.9
257.15768	0.5
265.52216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
53.69123	0.3
55.01865	2.0
60.82264	0.3
61.00749	0.3
64.98840	0.3
67.01859	2.2
67.05490	0.7
68.05028	0.3
69.61820	0.4
70.06599	1.8
70.65790	0.8
72.08173	0.6
72.94810	0.3
75.62204	0.3
79.05505	1.1
80.05008	0.7
84.04514	0.8
84.08140	1.9
85.02894	0.4
86.09717	1.1
86.69711	0.3
91.05488	0.4
94.06543	0.8
96.04499	0.4
98.06085	0.4
104.05013	0.3
105.03391	0.7
106.02923	0.8
106.06541	1.5
110.07169	1.3
112.08748	0.4
120.08131	0.6
122.06014	1.9
124.03976	1.0
124.11146	0.4
129.10223	0.4
132.04475	0.8
134.02443	1.6
134.06020	39.4
135.03195	0.5
135.06372	0.6
148.03935	6.0
149.02361	0.5
150.05507	3.0
157.10873	0.4
160.03947	4.7
162.05515	9.8
166.05003	2.3
176.03452	2.3
178.05031	2.0
178.38095	0.3
180.06573	0.8
188.03387	0.5
196.06041	1.7
206.04492	68.6
207.04816	0.3
220.14502	0.5
224.05540	100.0
225.05978	0.6
228.18227	0.7
228.43529	0.3
238.07249	0.4
256.08151	14.5
256.26367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80129	0.9
53.03928	0.9
55.01862	4.6
55.05509	1.4
56.05024	4.2
56.72839	0.9
56.96568	14.5
57.03440	5.8
58.06593	2.0
59.04986	1.3
60.04513	3.3
60.05632	2.4
61.02913	4.3
67.01869	2.1
67.05500	3.1
68.05021	6.9
69.03436	8.3
69.07060	4.4
69.58360	6.3
70.06207	1.3
70.06594	25.8
71.04993	2.3
71.95239	0.9
72.08165	6.3
73.02922	7.9
73.08475	1.3
74.06071	4.2
79.05482	2.5
79.22755	1.0
80.04988	1.0
80.23564	0.9
81.03404	3.4
81.07042	1.1
82.06575	1.5
83.04997	1.4
84.04509	11.7
84.08147	35.7
84.64358	0.9
84.96017	1.5
85.02908	14.5
85.06543	1.4
85.08482	1.7
86.09708	10.9
87.04451	3.1
87.10001	1.0
91.02338	2.4
91.03970	1.1
91.05476	4.8
93.07042	1.3
93.99960	0.9
94.06584	2.1
94.89873	1.0
95.04959	1.4
95.06106	1.6
95.97682	1.0
96.04523	2.5
97.02380	1.2
97.02897	11.3
98.06051	2.8
98.09703	7.1
98.21486	2.1
98.97589	20.6
99.04457	1.7
101.00843	2.0
101.02404	1.9
101.10855	0.9
102.01548	1.0
102.05573	1.4
103.02320	2.2
103.05479	2.9
106.02941	1.0
106.06535	2.4
107.04913	1.1
109.02267	2.0
109.02898	2.6
109.06497	1.3
110.01269	2.7
110.07162	9.8
110.97570	4.9
112.07585	1.4
112.08707	3.9
112.99145	1.4
114.05524	11.6
115.02285	1.8
115.03920	2.7
115.08684	1.7
116.03139	1.0
116.07092	1.5
116.98618	7.5
118.02781	1.2
119.01832	2.8
119.04932	3.1
119.21423	1.2
120.08120	11.1
121.06504	2.1
121.95780	1.7
122.05998	5.3
123.05507	1.6
124.03012	1.7
124.03954	18.4
124.11221	2.2
124.99132	1.3
125.03554	1.1
127.00703	7.2
127.03895	4.1
127.12304	2.3
128.98578	5.3
129.10233	14.1
130.05020	1.9
130.08691	0.9
130.95816	2.9
131.00157	1.3
131.01790	2.1
132.04463	1.2
134.06021	35.6
134.99683	1.4
135.03188	1.1
136.02850	1.7
136.07570	6.9
138.06662	1.3
140.02277	2.9
140.14265	2.4
143.00116	2.4
143.01874	1.5
145.01741	14.9
145.03360	5.9
145.05032	1.1
145.06036	2.1
146.02237	1.9
146.99661	1.5
147.04445	2.3
147.11334	1.0
148.03961	5.9
148.96902	3.6
150.05478	3.6
151.08693	1.1
152.02277	2.3
154.03873	24.8
154.05069	1.9
154.06586	1.8
155.01776	1.5
156.07672	3.9
157.10904	4.6
158.99625	4.4
160.03983	5.4
161.01222	2.2
161.02835	5.4
162.05505	10.6
163.02777	8.2
163.04391	7.1
165.54745	1.4
166.05035	4.3
167.07005	1.5
169.01630	1.3
169.13309	2.9
170.03304	1.2
170.99623	1.6
172.94229	1.2
173.01228	1.2
173.02852	1.3
175.04391	4.5
176.03386	3.5
177.00735	2.9
178.05019	2.2
178.08751	1.2
181.04268	1.3
182.03415	4.7
182.09637	1.3
182.99579	1.3
187.02777	3.1
187.04448	2.8
189.00589	1.8
189.04056	2.7
190.05002	2.6
191.02222	2.7
191.03897	3.1
191.05618	2.3
192.06502	1.8
196.06319	1.4
199.02747	1.8
201.00621	2.3
203.11809	2.1
205.03780	1.4
205.05469	17.8
206.04491	61.7
212.06242	3.9
213.13084	3.1
214.03903	1.7
215.02350	1.0
217.05495	2.9
219.01793	7.6
220.14494	9.2
224.05545	100.0
226.05960	20.7
228.10146	1.3
228.18222	7.9
232.04836	2.7
232.99129	3.6
235.06448	2.8
237.02914	4.6
239.10634	6.0
239.15022	1.3
247.08388	1.4
256.08304	16.1
256.11813	2.1
256.15341	2.7
256.17578	5.2
256.26324	4.3
274.06116	1.3
279.07523	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	255.1746
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
53.03938	1.2
55.01868	2.0
55.05499	3.2
57.03426	1.4
57.07071	1.4
57.52793	0.8
67.05491	3.0
69.03419	1.8
69.07076	5.7
69.30814	6.5
70.06583	2.5
71.04996	5.7
72.08154	0.9
79.05505	6.8
81.07063	10.4
83.04995	2.5
83.08613	2.1
84.08154	1.3
85.06533	3.6
86.09708	0.9
91.05486	7.1
93.07047	10.6
95.04997	1.1
95.08603	5.8
97.06541	25.5
98.98468	8.3
99.04453	1.2
99.08092	2.4
100.11253	1.4
101.02323	1.0
103.05523	1.2
105.07039	17.2
107.04945	1.3
107.08604	7.4
109.06506	3.5
109.10143	3.4
111.04444	5.1
111.08076	2.5
112.86222	0.9
113.06010	1.6
113.09657	0.8
115.05467	1.6
117.07018	3.2
119.04944	0.7
119.08588	16.5
120.08088	0.9
121.02857	2.4
121.06525	1.9
121.10162	8.0
123.05581	1.0
123.08106	4.6
125.05994	4.7
125.09624	3.0
127.43439	0.9
128.06232	3.4
129.06993	3.7
130.07742	1.1
131.08575	6.7
133.06517	5.1
133.10133	11.0
135.08066	3.1
135.11693	2.7
137.09581	1.9
137.13361	0.9
139.07458	4.2
141.06972	7.0
142.07790	5.1
143.08574	24.0
144.09383	0.9
145.10077	4.0
147.11629	0.9
149.09628	1.8
153.07082	1.4
154.07793	2.0
155.08545	10.3
156.09293	4.4
157.10147	18.0
159.08031	1.0
159.11693	8.1
160.03995	1.6
161.09613	2.8
163.11214	1.7
165.06987	3.0
166.07748	1.3
167.07031	2.4
167.08569	5.5
168.09341	2.7
169.10133	25.8
170.10933	3.1
171.11699	8.4
173.09552	1.0
173.13252	2.3
175.11214	1.7
179.08531	1.8
180.09370	4.4
181.10136	9.8
182.10915	10.2
183.11699	8.4
185.09618	1.4
185.13269	9.0
191.14339	3.6
193.10133	2.7
194.10889	1.7
195.11697	12.1
196.12479	14.8
197.13274	31.5
198.14021	1.6
199.11198	23.1
199.14719	1.0
201.12793	1.9
207.05463	0.9
207.11703	5.3
208.12500	3.0
208.90291	0.9
209.13440	4.5
209.15242	1.4
211.14836	57.6
212.15642	8.3
213.12856	2.5
213.16380	14.0
219.13806	6.1
222.13991	5.0
237.16562	13.1
237.18672	1.7
240.15318	1.1
255.17474	100.0
255.20943	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03926	4.8
55.01855	3.8
55.05513	27.3
57.03441	42.6
57.07065	5.6
59.04977	1.4
65.03901	3.2
67.05508	76.7
69.03393	3.3
69.07071	26.6
69.69223	7.1
70.06560	2.7
70.06915	1.1
71.01347	7.3
71.04996	7.7
79.05498	67.9
81.03426	9.6
81.07060	39.6
83.04984	24.4
83.08617	7.5
84.08134	1.9
85.06548	7.6
91.05485	34.0
93.07050	85.6
95.04974	6.0
95.08618	16.1
97.06540	22.3
97.10180	16.5
98.20918	1.4
98.98476	13.3
99.04420	4.5
99.08037	5.2
105.04486	1.3
105.06433	1.2
105.07040	15.1
107.04902	3.8
107.08599	53.0
109.06499	3.9
109.10139	9.3
110.07153	1.4
111.04403	2.5
111.08047	4.3
111.11726	1.4
113.05986	2.0
113.09643	2.2
117.07021	8.2
119.08593	11.6
121.06466	4.5
121.10146	13.8
125.05986	3.1
125.09628	6.0
125.10342	1.1
129.06906	1.5
130.07764	1.7
130.28285	1.2
131.08493	1.8
133.06404	1.5
133.10143	7.0
135.08051	2.7
135.11700	100.0
137.09599	5.6
139.07529	2.0
142.07736	1.3
143.08511	2.6
145.09059	1.7
145.10124	18.7
147.11613	1.6
149.09547	1.6
153.12691	3.6
156.09232	2.0
157.10083	2.9
159.11613	1.7
161.05920	2.4
163.11191	14.8
166.97627	1.1
167.08427	1.7
169.10056	1.5
171.11642	2.7
173.09676	1.7
181.10027	1.8
181.12248	19.9
183.11740	1.5
191.14227	1.4
193.10207	1.2
195.11787	1.5
197.13155	4.6
199.11223	1.6
212.19934	1.2
213.16238	3.0
219.13678	1.8
219.21046	1.3
237.14536	2.0
255.15805	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1595
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
52.75069	0.9
53.03948	2.5
55.01875	32.1
55.05506	8.5
57.03442	2.4
57.07057	1.7
57.59229	1.0
59.73707	1.0
67.05508	16.7
69.03438	6.2
69.07072	12.6
70.06593	5.1
71.04990	7.7
71.11318	1.1
71.51987	1.5
73.42234	1.0
76.11687	1.0
79.05499	32.8
79.98536	1.2
81.03422	1.7
81.07059	39.2
83.04987	15.4
83.08628	3.7
84.08163	3.0
85.02918	2.6
85.06541	3.1
86.09714	1.9
87.04475	15.6
91.05485	14.8
93.07050	21.3
95.04950	5.5
95.08614	21.8
97.06534	100.0
97.10141	1.6
98.09604	1.2
98.98471	9.1
99.04475	3.2
99.08109	1.3
101.02374	1.4
101.06017	2.1
103.05432	1.0
105.07032	17.5
107.04964	5.0
107.08599	49.7
109.06499	6.9
109.10163	5.0
111.04449	16.0
111.08075	11.9
113.05997	12.9
113.09663	1.8
115.03969	6.9
115.05453	1.5
117.07014	9.3
119.08588	8.7
120.08136	2.6
121.06487	10.3
121.10175	7.8
122.07307	1.5
123.05572	3.2
123.08087	8.7
123.11697	3.6
125.05999	69.5
125.09637	38.3
127.07549	1.7
129.06984	2.2
129.10292	1.1
131.08566	11.2
133.06514	2.9
133.10162	7.2
135.08076	14.3
135.11708	3.9
137.05968	3.9
137.09641	1.8
139.07545	76.9
139.11182	1.4
141.06993	1.3
142.07820	1.3
143.07051	6.1
143.08565	2.0
145.06561	1.7
145.10130	7.7
147.08041	2.7
147.11713	5.5
149.06061	1.9
149.09621	7.2
149.13226	2.9
151.07584	5.2
153.05463	9.4
153.09081	4.3
155.07042	7.5
155.08539	3.8
157.10121	6.3
159.08023	1.8
159.11685	17.2
161.06021	1.4
161.13315	1.3
163.07535	5.5
163.11163	3.3
163.14827	1.4
165.09134	3.1
167.07053	40.6
169.08623	1.7
171.11690	1.9
173.09645	1.5
173.13280	10.4
175.11221	5.9
177.09178	3.2
177.12686	7.0
181.08572	1.9
183.11652	5.7
184.13371	2.0
185.08121	2.2
185.13272	1.5
191.10693	2.1
191.14322	48.5
195.10208	3.7
195.11893	1.4
195.13834	1.8
197.13283	1.5
201.12759	13.2
211.11528	1.1
213.11200	6.3
213.16457	1.5
219.13805	64.6
223.05164	1.1
232.05251	1.1
237.11348	1.6
237.14807	21.7
237.18498	1.6
243.09079	1.1
255.10121	2.4
255.15448	6.5
255.17867	2.4
255.21188	3.4
256.15320	6.1
274.73169	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
54.80408	0.9
55.01866	3.4
55.05512	16.6
57.03439	28.9
57.07071	4.9
57.79718	1.0
57.90609	0.9
59.05007	1.8
67.05507	57.3
69.03433	1.7
69.07069	23.0
69.79472	0.9
70.06591	3.3
71.01355	5.0
71.04996	8.5
73.97736	1.0
79.05495	51.6
81.03426	6.3
81.07059	30.8
83.04983	17.9
83.08624	6.9
84.08123	1.7
85.02915	1.2
85.06548	6.4
87.18856	1.1
91.05475	25.5
93.07047	58.5
95.04979	5.0
95.08602	12.8
96.19469	1.0
97.06534	20.0
97.10184	11.9
98.98471	12.8
99.04461	2.1
99.08095	3.8
103.05495	1.6
105.04522	2.0
105.07027	16.6
106.07471	1.1
107.04981	2.5
107.08598	41.2
109.06500	6.1
109.10159	8.6
111.04446	2.8
111.08101	4.0
113.09616	1.3
117.07013	7.0
119.08579	20.2
120.08101	1.5
121.06522	6.2
121.10152	11.3
123.08090	2.5
125.06012	2.5
125.09624	3.9
128.06248	3.4
129.07016	4.1
130.07803	1.7
131.08556	5.7
133.06505	1.1
133.10126	9.9
135.08046	6.1
135.11694	66.6
137.09584	2.5
139.07620	1.2
141.06989	2.5
142.07800	5.7
143.08572	14.6
145.10132	17.2
147.08058	1.8
147.11713	2.0
149.09662	2.1
153.12726	2.0
154.07779	1.3
155.08554	8.1
156.09351	10.9
157.10130	18.0
159.11693	7.0
161.05966	2.1
161.09636	3.9
163.11179	9.4
165.07019	1.9
166.07883	1.4
167.08546	3.4
168.09398	1.9
169.10115	12.9
170.10909	3.8
171.11688	25.3
173.00258	1.1
173.09619	2.9
173.13286	4.5
175.11194	1.9
179.08504	2.1
180.09355	2.3
181.10127	6.6
181.12216	16.4
182.10880	9.2
183.11716	11.3
183.33463	1.5
184.12445	1.5
185.09669	3.4
185.13257	7.3
187.11203	2.9
193.10153	4.8
195.11740	10.5
195.13573	1.6
196.12440	4.9
197.11467	2.6
197.13258	43.6
198.14143	2.6
199.11166	11.4
199.13004	2.1
199.14845	1.4
207.11674	8.8
208.12503	3.1
209.13263	4.3
211.11147	2.4
211.14844	11.9
212.12524	1.3
212.15634	10.1
213.12851	8.0
213.16391	19.9
214.13571	1.9
219.13878	2.1
222.13948	6.7
225.12746	4.2
227.14348	1.5
227.17880	2.6
237.12801	1.6
237.16493	15.0
240.15173	3.2
254.49059	1.9
255.10184	4.5
255.15521	24.4
255.17892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56936	0.2
55.01873	1.5
57.03194	0.3
57.03441	3.0
59.05005	0.3
61.02924	0.9
69.03433	1.3
70.10037	0.4
70.10433	0.4
71.01362	0.9
73.02920	4.2
78.03461	1.1
80.05020	2.7
81.42484	0.2
85.02911	2.2
87.04485	0.3
96.04491	0.3
97.02901	0.8
98.97594	0.3
103.03947	0.4
106.02924	5.9
110.07162	0.6
112.89616	0.9
115.03951	1.4
117.00126	0.2
123.05560	100.0
124.03997	0.8
124.05927	0.2
133.04977	2.9
156.07758	0.2
181.17815	0.2
208.99719	0.2
255.06239	0.9
255.09776	0.9
255.14561	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96571	0.2
55.01875	2.0
55.05518	0.9
57.03442	3.6
57.07072	0.3
59.04992	0.2
61.02935	0.8
67.05502	1.1
68.20989	0.1
69.03434	2.1
69.07072	1.0
70.06586	0.6
70.90582	0.3
71.01353	0.9
71.04986	0.6
72.08164	0.2
73.02918	2.2
78.03452	0.9
79.05508	0.6
80.05021	2.1
80.95367	0.2
81.03391	0.2
81.07056	1.9
83.04969	0.4
83.08627	0.4
84.08147	0.4
85.02908	2.4
85.06532	0.4
87.04479	0.5
88.02925	0.2
91.05470	0.9
93.07075	0.9
95.04970	0.2
95.08622	1.2
96.04498	0.5
97.02890	0.7
97.06528	0.8
97.99606	0.1
98.98469	1.7
99.04459	6.9
103.03947	0.4
105.07044	1.0
106.02919	6.6
106.03645	0.4
107.08623	1.2
109.06577	0.2
109.10159	1.9
110.07100	0.2
111.04451	0.3
111.08080	0.2
115.03926	1.6
117.07032	0.3
119.08570	0.6
120.08131	0.3
121.06515	0.3
121.10136	0.5
123.05556	100.0
123.11713	0.4
124.05847	0.3
125.05986	0.4
125.09628	0.4
131.08601	0.6
133.04984	2.6
133.06523	0.4
133.10152	0.4
135.08122	0.2
135.11691	0.5
137.09589	0.2
139.07516	0.5
141.06929	0.2
143.08586	0.3
145.10077	0.4
147.11691	0.3
149.13252	0.2
155.08551	0.2
157.10133	0.5
159.11728	0.6
161.06004	0.2
163.11185	0.2
167.07092	0.6
171.11642	0.3
173.13312	0.2
191.14333	0.4
193.05019	0.2
195.13884	0.3
197.13235	0.5
213.16473	0.2
219.13821	0.7
237.04233	0.2
237.14799	0.3
255.06630	0.3
255.10237	0.8
255.11162	0.8
255.17529	0.6
255.21121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
53.03955	1.7
55.01870	0.3
72.08159	0.5
77.03922	1.0
84.08150	0.4
91.05490	8.8
93.07053	14.4
95.04974	2.4
98.20698	0.3
101.22803	0.2
103.05472	10.8
105.04537	1.0
117.07016	0.3
117.80563	0.2
118.06529	0.9
119.07353	1.6
120.08105	0.5
121.06516	100.0
122.06805	0.3
129.10269	0.6
134.09665	46.5
167.08868	0.2
192.13913	0.2
254.15425	61.4
255.15767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.05511	0.4
60.04500	0.3
65.56525	0.3
67.05492	0.3
69.07071	0.5
70.06586	1.6
70.63499	0.2
70.97123	0.7
72.08159	8.3
77.03925	0.4
79.05491	0.8
81.07064	2.2
84.08138	2.3
86.09708	3.4
87.10021	0.3
91.05480	3.1
93.07049	6.8
94.17470	0.3
95.04958	0.4
98.98466	0.6
103.05480	2.4
105.04465	0.3
107.04960	0.3
110.06062	0.3
110.07153	0.4
116.10735	0.7
120.08110	2.9
121.06511	100.0
122.06854	0.4
129.10249	0.8
129.39262	0.3
130.08638	0.9
136.07568	0.8
145.89233	0.2
147.11301	0.9
151.07594	0.3
151.56018	0.3
192.13840	61.9
193.14104	0.3
236.16463	8.9
254.17531	30.5
255.16940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26673	0.3
50.45317	0.2
55.01875	1.5
56.96333	0.3
56.96572	2.7
57.03445	3.1
61.02927	1.1
62.01934	0.2
69.03441	2.1
70.06592	0.6
71.01342	0.8
71.50703	0.2
72.08165	0.5
73.02924	4.4
78.03457	0.8
80.05019	1.9
84.08150	0.8
84.96075	0.3
85.02909	2.7
87.04464	0.5
96.04492	0.6
97.02889	1.1
98.09686	1.0
98.97594	1.0
99.04479	0.2
99.10042	0.9
100.99181	0.5
103.03970	0.3
106.02927	5.1
107.17535	0.2
110.07163	2.9
110.97612	0.5
112.04047	0.3
115.03930	1.7
119.00045	0.2
123.05562	100.0
124.03956	1.5
128.98659	0.6
133.04959	2.6
144.98135	0.4
146.99713	0.4
152.05649	0.3
156.07710	0.7
168.55296	0.3
172.97572	0.5
190.98686	1.2
208.99742	2.2
212.12936	0.2
219.01782	0.3
234.21968	0.2
255.06429	1.4
255.09764	1.0
255.14757	0.5
255.17140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.0
59.38628	0.6
63.41054	0.8
67.01860	4.6
67.05496	0.9
69.03423	1.1
69.07065	1.5
70.99385	2.1
71.04996	1.3
74.50714	0.7
79.05481	4.5
80.05012	1.2
81.03418	0.8
81.07055	1.6
82.02940	1.7
84.08138	1.6
91.05486	12.3
92.16548	0.8
93.07037	8.2
94.06566	1.8
98.98446	2.0
103.05474	1.8
105.03397	1.3
105.07039	16.4
106.06549	1.4
107.04966	2.1
107.08607	2.2
108.04454	0.9
108.08115	2.9
109.06493	2.8
110.06021	0.9
112.25913	0.9
115.05460	4.5
117.06245	1.3
117.07025	22.4
119.07330	2.1
119.08582	12.4
120.04494	3.8
120.08112	3.6
121.06503	3.5
121.10181	1.2
124.07600	1.1
129.06981	1.5
131.08737	0.7
132.08099	1.2
133.05217	1.2
133.06517	1.5
134.06012	3.0
134.09656	48.9
136.03990	1.8
137.05933	1.0
137.26425	0.9
138.05478	1.8
144.08070	1.9
145.06483	10.3
146.07301	0.7
147.06874	1.4
147.08054	6.8
148.03903	5.3
148.07582	2.5
149.05992	0.9
149.09625	44.1
152.07072	4.6
160.07607	0.8
162.09143	29.9
162.10509	1.8
163.19707	0.7
165.05527	1.8
173.05951	6.4
175.36392	0.9
177.05513	7.2
177.09097	7.2
179.10641	1.2
180.06532	1.9
180.10120	1.8
190.06906	1.5
190.08624	27.3
194.11778	33.7
198.81018	0.8
205.08607	43.5
222.11255	100.0
240.54797	0.7
254.11739	5.9
254.13943	1.6
254.17386	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57579	0.7
54.03457	0.7
55.05499	2.3
58.06581	0.7
59.04953	0.7
64.54736	0.6
65.03917	0.9
67.01868	3.5
67.05490	1.6
69.03422	0.7
69.07052	2.3
70.03678	2.5
70.06585	1.4
70.08142	0.6
71.05000	0.7
72.08154	0.7
79.05497	3.5
80.05003	1.7
81.07068	1.4
82.02947	2.0
84.08139	1.8
84.92855	0.6
86.09690	1.0
91.05487	13.6
92.05018	1.4
93.05803	1.0
93.07052	7.8
94.06566	3.2
95.08598	0.9
96.04488	1.0
96.08167	1.4
98.98483	2.9
103.05457	1.0
105.03400	1.1
105.07040	7.1
106.06550	2.4
107.04971	1.2
107.08588	2.4
108.04503	1.5
108.08147	3.4
108.57899	0.7
109.06493	1.4
110.06039	2.0
110.10408	0.5
111.84145	0.5
115.05471	4.8
117.07027	25.3
118.06548	1.4
119.04882	0.8
119.07333	2.9
119.08588	12.5
120.03758	0.6
120.04500	5.9
120.08095	5.0
120.08871	0.8
121.02870	1.3
121.06517	3.6
121.10107	0.7
122.06010	1.1
124.07591	1.4
129.06975	0.8
132.08093	1.9
132.11452	0.7
133.05203	1.2
133.06482	1.6
133.10101	0.7
134.06096	3.6
134.09659	68.0
135.08070	1.4
136.03917	1.9
137.05974	1.0
137.09656	0.8
138.05466	3.2
144.08080	2.0
145.06496	7.8
146.05984	1.3
146.07227	1.1
147.06770	3.2
147.08029	3.9
147.11601	0.7
148.03938	4.7
148.07582	1.3
149.09627	31.9
151.11128	0.9
152.07083	7.0
154.04964	1.6
161.06015	0.8
162.09148	37.9
163.07535	1.0
165.05453	1.1
168.06540	0.8
172.07599	0.9
173.05992	7.3
177.05498	5.6
177.09125	5.8
179.10587	1.0
180.06482	2.0
180.10197	2.0
190.08636	33.2
193.08649	0.7
194.11777	49.5
205.08614	24.7
205.10594	0.8
219.55161	0.6
222.11258	100.0
234.24933	0.6
254.13704	1.3
254.17551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05511	1.4
56.05045	0.6
57.03425	0.4
58.06603	5.4
61.01152	0.3
67.05506	1.1
69.03438	0.7
69.07078	1.0
69.25555	2.3
70.06604	3.0
71.04986	0.6
72.08156	0.4
79.05493	1.0
81.07053	1.4
82.06583	1.3
83.04984	0.7
83.08638	0.6
84.08149	5.0
85.06526	0.6
85.08461	0.3
86.09708	3.0
91.05478	1.4
93.07043	1.3
94.06567	0.4
95.05014	0.4
95.08603	0.9
96.08149	0.9
98.09666	0.3
98.98470	6.4
99.04459	0.3
103.81876	0.3
104.22263	0.3
105.07026	1.3
107.04954	0.5
107.08601	0.9
109.06549	0.5
109.10179	0.5
110.06023	0.4
110.07205	0.4
110.09703	0.3
111.10448	0.6
112.07612	11.6
113.05996	0.3
116.07062	0.3
118.02789	0.3
119.08597	0.6
120.08099	2.0
121.08440	0.4
121.10191	0.4
122.09696	1.6
123.08099	0.6
124.11292	0.3
125.12002	1.2
126.12799	9.9
129.10237	2.1
131.08615	0.3
133.10106	1.1
135.08044	0.5
136.06287	0.4
136.11197	0.8
137.09679	0.5
137.11992	0.9
147.11696	0.4
151.11163	0.5
153.12750	0.9
154.12274	60.1
156.13918	0.3
164.10699	0.3
164.14375	0.9
166.16058	0.3
168.32481	0.3
170.06050	1.3
179.15463	0.6
192.10152	0.5
206.11824	1.2
210.14899	100.0
211.15224	0.5
217.15970	0.3
235.14249	0.9
235.16824	0.5
235.21669	0.4
253.08881	0.4
253.12273	0.5
253.15349	3.3
253.19083	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	253.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03284	0.2
55.01874	0.6
55.05511	1.6
56.05046	1.0
57.03440	0.4
57.07080	0.3
58.06604	5.6
61.01163	0.4
67.05512	1.7
68.05029	0.3
69.03434	0.3
69.07067	1.2
70.06598	3.8
71.05003	0.4
71.06924	0.3
71.51716	0.3
72.08156	1.0
75.09234	0.3
79.05495	1.1
81.07055	2.5
82.06574	1.3
83.05003	0.5
83.07364	0.3
83.08630	1.1
84.04513	0.9
84.08148	5.8
86.09718	3.1
87.10055	0.3
91.05486	1.3
92.72568	0.3
93.07066	1.6
94.06573	1.0
95.04990	0.5
95.08605	2.0
96.08144	1.5
97.06529	0.5
98.98473	11.3
99.04463	0.3
103.05506	0.4
104.05281	0.4
105.07038	0.8
107.04973	1.0
107.08598	1.2
108.08134	0.5
109.06520	0.4
109.10164	1.5
110.06041	0.3
110.07206	0.5
110.09691	0.5
111.08072	0.7
111.10487	0.8
112.07613	14.3
112.11258	2.1
114.05553	0.4
118.06553	0.7
119.06907	0.5
119.08574	0.9
120.07268	0.4
120.08119	6.8
120.08956	0.5
121.06513	1.1
121.07576	0.4
121.08445	7.1
121.10146	0.6
122.09666	1.9
123.08068	0.3
124.11242	1.1
125.12036	1.3
126.12798	10.8
129.10237	3.3
133.06538	0.3
133.10130	0.7
135.04276	0.3
136.06197	2.0
136.11214	2.5
137.04662	0.5
137.06650	1.6
137.09723	0.4
137.11986	1.1
138.12784	0.5
146.06026	0.4
147.06360	1.1
147.08014	0.4
151.07555	0.4
154.12276	69.3
159.07950	0.3
161.09610	0.4
164.10713	0.4
164.14352	1.5
166.08672	0.4
166.15955	0.6
179.15375	0.3
189.07433	1.5
192.10190	0.4
192.17542	1.0
197.11777	0.3
206.08209	0.6
206.11783	0.6
207.08482	5.8
210.14900	100.0
211.15326	0.6
233.27394	0.3
235.13852	1.0
235.16827	0.5
235.21718	3.6
238.15501	0.4
253.12108	0.9
253.15120	3.7
253.19118	9.5
253.22932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.18
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03933	1.2
55.05508	6.4
57.07073	2.1
59.04988	3.3
65.03931	3.6
67.05509	44.8
69.03430	1.5
69.07071	8.1
69.78252	0.8
70.01871	1.9
70.02281	3.2
71.04995	42.6
73.06553	1.3
79.05493	9.0
81.06603	1.5
81.07061	25.6
83.04973	2.4
83.08624	5.3
84.08088	1.0
85.06546	2.1
87.08089	3.2
89.06046	5.3
91.05486	9.2
93.07048	25.6
95.04974	52.4
95.08612	13.5
97.06520	2.5
98.98468	15.1
99.08080	2.6
104.79485	1.0
105.07032	28.1
107.07880	2.2
107.08600	41.0
109.06497	3.7
109.10162	100.0
111.08086	4.8
113.05996	3.0
117.07010	1.5
119.08588	28.2
120.37221	1.1
121.06509	2.3
121.10151	29.5
123.04456	1.0
123.08031	2.8
123.11696	4.4
123.50533	0.8
125.09639	27.9
127.07545	2.8
127.11208	4.9
131.08577	8.4
133.10132	10.4
135.08037	1.3
135.11713	20.7
137.09602	4.0
137.13246	0.9
139.07478	1.3
139.11154	0.9
142.07741	1.2
143.08574	3.1
143.26665	1.0
145.10135	20.9
147.08046	5.2
147.11690	57.6
149.09608	6.7
149.13263	8.5
151.07466	0.9
153.12758	22.0
157.10170	4.9
157.24283	1.0
159.11687	7.8
161.09590	2.4
161.13278	3.0
165.09097	2.4
165.12822	7.6
173.13266	1.4
174.99255	1.0
175.11226	5.1
175.14841	9.0
179.10602	2.1
189.12773	2.0
189.16388	23.6
191.17958	7.1
193.12265	1.4
193.15895	15.1
199.14758	4.6
207.17390	7.0
217.15884	24.1
235.16928	42.2
247.78323	0.9
253.18011	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1802
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03931	1.2
53.98118	1.2
55.05513	5.6
57.07079	1.6
59.04991	3.6
65.03944	2.9
67.05508	42.0
69.03437	1.7
69.07077	6.2
70.55394	3.1
71.04994	41.2
73.06557	2.6
73.56230	0.9
79.05495	9.0
81.07063	21.9
83.04975	1.9
83.08607	5.3
84.08146	1.8
85.06535	3.1
86.90680	0.9
87.08096	3.8
89.06020	4.6
91.05471	9.0
93.07052	24.4
93.07631	2.0
95.04972	46.6
95.08611	16.8
97.06524	2.4
97.10175	1.3
98.98473	17.6
99.08091	2.9
102.39257	0.9
105.07031	23.2
107.04928	1.1
107.08598	42.2
109.06515	5.3
109.10161	100.0
111.08076	3.6
113.05974	1.6
117.07011	1.8
119.08588	31.7
121.06545	3.4
121.10151	30.2
123.08090	2.2
123.11712	4.4
125.09633	26.7
127.07574	1.3
127.11189	6.8
131.08588	9.7
133.10144	12.6
135.08064	2.8
135.11702	20.5
137.06023	2.0
137.09631	4.0
139.07570	2.5
139.11211	1.1
142.07739	1.8
143.08551	2.5
145.10133	21.1
147.08064	5.0
147.11694	56.2
149.09619	3.7
149.13211	5.8
151.07574	1.8
151.11269	1.2
153.12750	20.7
155.07025	1.1
157.10164	4.8
159.11694	7.3
161.09645	4.6
161.13225	2.0
165.09142	2.8
165.12779	6.7
169.08675	2.0
171.11670	1.4
173.13293	3.2
174.10455	1.3
175.11200	6.5
175.14832	7.4
178.51468	1.1
179.10674	1.7
189.12823	1.4
189.16405	25.4
191.17918	8.6
193.15889	14.3
199.14861	2.4
207.17490	7.9
211.13368	1.1
217.15889	23.8
217.19221	1.2
235.16931	48.6
253.14340	6.1
253.17847	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
56.05024	0.2
57.03445	0.3
60.04512	0.2
65.21994	0.2
69.07068	0.5
70.06596	0.8
70.41090	0.7
72.08164	0.3
75.83317	0.2
79.05504	0.7
79.73750	0.2
80.05453	0.2
81.07057	2.8
84.04522	0.4
84.08139	3.0
85.08486	0.7
86.09716	2.9
91.05479	0.5
94.04065	1.1
98.98460	0.6
105.07059	0.2
110.07179	0.4
116.24507	0.2
119.03551	2.2
120.08168	0.5
121.06513	0.7
129.10254	0.8
130.04974	0.3
132.10214	0.4
136.06195	100.0
137.04585	0.8
159.25504	0.2
178.12309	0.4
192.10211	0.3
234.07710	0.2
234.11531	0.3
234.13495	16.3
252.14568	61.8
253.14935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1185
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
50.27809	0.4
59.50591	0.4
60.04528	72.2
69.76253	2.2
70.02971	1.3
70.06602	0.8
75.11392	0.4
84.08176	0.7
87.05606	2.1
91.05515	0.7
93.07018	0.5
98.98463	2.8
103.05455	2.6
105.07018	0.8
107.04965	1.3
120.08109	100.0
120.94926	0.5
129.10350	0.5
131.04922	2.7
132.08058	0.9
144.08051	2.3
149.06004	1.6
160.07581	0.6
162.09155	2.8
166.08646	77.9
166.31766	0.4
206.08170	0.8
207.11305	18.7
235.10770	7.2
253.11856	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.18
Annotation	8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Peak:m/z	Relative Intensity
55.01863	1.7
55.05507	5.3
56.96555	1.8
57.03435	0.9
57.07070	2.3
62.26603	0.8
65.35020	0.9
67.05510	11.4
69.03434	78.5
69.07072	5.8
69.69308	4.9
71.04984	1.9
79.05495	8.9
81.07062	16.9
83.04968	1.4
83.08601	2.0
84.08128	1.3
85.06532	2.6
90.57117	0.9
91.05495	11.8
93.07036	9.7
95.04961	2.1
95.08606	9.1
97.02905	1.2
97.06523	3.9
97.10152	1.5
98.20777	1.9
98.98471	100.0
100.98878	1.6
105.07037	19.7
107.04966	1.3
107.08600	8.2
109.06526	3.1
109.10168	9.4
111.08109	1.2
116.99496	1.8
119.08607	8.5
121.06496	1.4
121.10158	5.7
122.09605	1.1
123.08085	3.2
123.11678	2.7
125.06003	1.2
126.30373	1.1
131.08553	2.1
133.06467	0.9
133.10138	16.6
137.09647	2.8
140.01086	1.8
143.08617	1.0
145.10031	1.4
147.11696	4.3
149.09625	3.1
149.13225	3.0
151.11195	5.5
157.10123	1.6
161.13228	1.1
173.13182	1.0
174.99234	3.6
175.11191	2.8
175.14845	1.0
176.98969	1.9
179.10736	2.0
189.16393	2.9
197.11732	2.2
199.14804	2.3
207.17459	3.4
217.15862	4.5
219.92569	0.9
225.14742	1.0
235.16942	30.3
253.14244	2.2
253.16298	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	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04138	0.3
56.05053	0.6
57.53958	0.3
58.60152	0.3
60.04517	0.4
69.07074	0.4
69.51971	0.8
69.52391	1.6
69.65768	0.3
70.02954	0.7
70.06590	0.8
74.06119	0.4
81.07052	1.0
83.42488	0.3
84.04510	3.5
84.08150	8.4
86.09708	8.8
86.10183	0.7
87.00830	3.0
91.05495	1.4
93.07059	1.8
94.04086	0.4
98.20764	0.6
98.98463	0.9
103.05473	6.4
103.87225	0.3
105.07056	1.0
107.04948	0.8
108.05251	0.4
118.06552	8.8
119.03602	0.5
120.08113	100.0
128.04959	1.5
129.10249	7.2
130.06564	0.4
130.10648	0.5
131.04893	0.6
132.10190	0.7
136.06197	27.8
142.06555	0.4
146.06023	16.6
148.07523	0.4
164.07054	0.5
166.08653	2.2
177.05447	0.4
177.11163	0.4
188.07083	17.4
192.06561	1.8
197.12872	1.1
206.08138	67.8
216.06595	0.5
234.07669	2.0
234.13483	4.3
252.08684	1.0
252.14540	16.0
260.19720	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1645
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
50.28814	0.8
53.03933	2.4
55.01863	2.7
55.05520	6.1
56.96559	2.0
57.03422	1.2
57.07084	1.6
58.06590	0.8
59.05000	7.9
60.05624	1.2
65.03931	2.4
67.05510	22.9
69.03434	23.2
69.07068	7.1
70.06583	3.0
70.10112	2.4
70.10520	1.6
70.17003	0.8
71.04996	9.4
72.08131	2.6
73.32399	0.9
79.05499	11.1
81.03408	4.0
81.06595	2.0
81.07062	29.8
83.04973	3.5
83.08621	2.1
84.08150	5.8
85.06527	3.9
86.09701	4.1
86.10175	1.0
87.04463	2.2
91.05482	13.6
93.07049	27.3
95.04379	1.3
95.04971	19.2
95.08611	24.8
97.06534	6.2
98.98471	100.0
99.08085	1.5
103.05482	2.0
105.07030	25.5
107.04939	6.3
107.08597	29.5
109.06512	10.7
109.10164	34.0
111.04418	1.9
111.08082	8.6
113.05989	2.4
113.09678	1.0
116.99477	1.6
117.07005	3.5
119.04968	1.0
119.08584	16.0
121.06505	5.7
121.09324	1.6
121.10151	19.4
123.04421	1.1
123.08076	23.0
123.11674	4.6
125.06009	2.0
125.09669	5.2
129.06944	1.6
129.10240	1.4
131.04851	1.0
131.08566	11.9
133.10143	14.5
133.35812	0.9
135.08063	5.4
135.11662	3.1
136.07571	1.0
137.05988	3.9
137.09610	6.0
139.11198	2.0
141.09094	2.8
143.08548	2.1
145.06523	1.6
145.10118	18.6
147.08072	1.9
147.11691	17.8
149.09637	6.9
149.13216	2.4
151.07562	2.0
151.11197	7.8
155.08473	1.5
157.06473	1.8
157.10146	2.9
159.08035	2.8
159.11696	8.5
161.09613	2.1
161.13216	3.2
163.07550	1.7
163.11185	5.7
163.14789	2.4
165.12813	1.0
167.08499	1.7
167.10693	3.2
169.10095	2.2
169.12280	1.5
171.11702	1.8
173.09659	4.7
173.13272	8.1
174.99237	6.6
175.11182	4.4
177.12726	2.0
182.10880	1.0
187.11240	1.3
187.14807	14.7
189.12750	1.1
189.16335	2.3
191.10562	2.2
191.14323	6.1
193.12311	1.1
197.13293	3.8
203.14359	1.7
205.12102	1.0
205.15903	5.7
208.16928	2.5
213.07634	1.1
215.14301	18.1
215.17708	1.4
221.15488	1.1
233.11687	2.2
233.15373	24.5
233.17534	1.8
233.18971	1.2
251.10614	3.4
251.12758	2.9
251.16359	27.9
251.20084	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	251.1645
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
53.03923	2.8
55.01860	2.3
55.05510	9.5
57.03428	1.6
57.07078	6.5
59.05000	8.1
64.88159	0.9
65.03931	2.1
67.05511	14.3
69.03432	9.0
69.06728	1.1
69.07067	9.7
70.06569	2.9
71.01347	2.4
71.04996	44.4
71.51591	1.3
72.08150	1.3
79.05499	11.6
81.03409	3.1
81.07058	15.0
83.04974	10.6
83.08619	8.3
84.08144	6.3
85.02908	2.8
85.06547	9.9
86.09701	2.0
91.05491	15.6
93.07053	14.2
95.04968	16.6
95.08616	16.1
97.06531	13.5
97.10157	1.0
98.98474	100.0
99.04428	2.8
103.05458	1.7
105.07029	17.6
107.04947	5.3
107.08603	21.1
109.06523	9.0
109.10171	14.0
111.04403	1.3
111.08084	8.2
113.06014	10.6
113.09643	1.8
115.05482	1.2
115.07581	1.2
116.99486	2.7
117.07044	6.2
119.08588	31.7
121.06509	5.7
121.10150	28.8
122.07262	1.5
123.04407	1.7
123.08067	12.1
123.11721	7.1
125.06005	22.4
125.09598	1.8
129.06976	3.6
130.07770	1.9
131.08580	10.2
133.06493	2.7
133.10121	11.6
133.26424	1.0
135.04399	2.2
135.08092	5.1
135.11676	8.3
137.05922	1.3
137.09627	43.7
137.13249	1.4
139.11108	1.7
143.08542	1.4
145.09058	1.7
145.10130	23.8
147.08063	60.7
147.11697	14.4
149.06065	1.4
149.09625	14.6
149.13261	1.9
151.07570	6.4
151.11182	3.9
151.14783	2.9
153.09128	2.7
155.08522	1.4
155.10670	5.6
156.09372	1.3
157.10182	4.7
159.08051	2.6
159.11682	3.9
160.08798	1.4
161.09627	2.7
161.13271	2.3
163.11189	50.1
163.14806	3.8
165.09116	3.6
165.12790	1.7
167.10692	1.6
171.11609	2.7
173.09555	3.1
173.13278	7.4
174.99243	5.9
175.09792	1.3
175.11209	11.7
177.05482	3.8
177.09120	3.6
179.14325	17.7
181.12248	10.6
187.14792	8.7
189.12732	2.8
191.10635	3.0
191.14301	11.7
193.12236	6.1
195.06555	2.0
195.10184	4.0
197.13246	2.3
205.12267	2.0
205.15868	6.2
207.13785	5.7
215.14333	11.5
233.11604	3.1
233.15382	59.9
246.95683	1.0
251.12621	16.0
251.16412	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	Deodardione
Peak:m/z	Relative Intensity
50.86667	0.4
51.90504	0.4
53.03934	0.8
55.01864	1.1
55.05273	0.6
55.05511	6.5
57.03426	1.6
57.07053	0.8
58.06577	0.7
59.04993	1.8
67.05513	3.4
69.03429	1.7
69.07069	9.3
70.06582	1.0
71.04970	1.2
71.52322	0.5
79.05495	7.1
81.03432	0.5
81.07056	10.6
83.04983	10.8
83.08620	1.1
84.08143	2.1
85.02922	0.9
85.06543	0.9
86.09720	0.8
89.10912	0.4
91.05478	4.3
93.07044	26.3
95.04965	1.7
95.08611	5.0
97.06522	2.8
97.10195	1.1
98.98468	34.4
99.04458	0.6
103.05502	0.7
105.07030	7.8
107.04927	1.0
107.08595	6.8
109.05804	0.7
109.06519	11.2
109.08878	0.5
109.10165	2.3
111.04434	11.5
111.08079	0.8
111.11723	2.7
116.99472	0.6
117.06998	0.8
119.08595	2.8
120.08142	0.4
121.06516	3.2
121.10143	39.4
123.04435	0.4
123.08050	2.6
123.11687	1.2
125.05979	0.9
125.09635	1.8
131.08592	2.0
133.06525	0.5
133.07565	0.5
133.10124	1.2
133.31163	0.5
135.08041	2.9
135.11684	1.3
137.05968	0.8
137.09612	1.3
139.11194	2.0
145.10147	4.1
147.08017	1.4
147.11682	1.0
149.08418	0.8
149.09621	15.7
149.13199	0.4
151.11165	1.8
157.10040	0.4
159.08061	0.7
159.11693	1.1
161.09547	0.5
163.11191	5.0
165.12761	0.8
167.10675	100.0
173.09718	0.8
173.13274	0.7
174.99200	1.4
175.11154	0.8
177.09195	0.8
177.12744	7.4
179.14325	1.0
187.11140	0.8
189.12857	0.6
190.12547	0.4
191.10672	1.9
191.14369	0.4
193.12219	0.8
195.08080	0.5
196.17000	0.8
203.03499	0.8
205.05005	1.1
208.16975	5.0
215.10738	0.9
215.14305	1.2
233.04388	1.0
233.11795	1.3
233.15398	2.2
234.18613	0.7
251.10706	0.5
251.13364	0.9
251.16379	12.4
251.21033	3.5
273.12366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03941	1.9
53.07528	0.5
53.28567	0.5
55.05521	3.8
56.96556	1.0
57.03426	1.0
57.07083	0.6
59.04998	1.8
65.03941	0.9
67.05508	15.8
69.03434	0.9
69.07074	5.2
70.06601	0.8
70.52217	1.8
71.04987	2.0
79.05499	12.3
81.03432	2.7
81.07061	16.3
83.04974	1.9
83.08624	2.1
84.08132	1.0
85.06552	1.0
91.02325	0.5
91.05487	19.1
93.07050	9.8
95.04975	4.1
95.08614	7.9
97.06548	1.6
97.10166	0.6
98.98472	100.0
103.05499	1.2
105.04499	0.7
105.07034	15.0
107.04964	3.8
107.08598	4.3
109.06495	2.9
109.10167	4.6
115.05478	0.7
116.99510	2.2
117.07018	5.9
119.08591	10.1
121.06509	2.4
121.10161	3.0
123.08067	1.7
123.11764	0.7
125.06013	0.8
129.07010	1.7
131.08569	9.9
133.06546	1.6
133.10141	3.0
135.08055	2.3
135.11671	0.7
137.09666	0.7
140.01132	1.1
141.06978	1.0
143.08557	1.4
145.10127	4.8
147.08070	1.0
147.11665	1.3
149.09618	0.6
155.08566	1.1
157.10049	0.6
159.11674	1.6
163.11256	1.2
166.46353	0.5
167.10677	0.8
169.10211	1.1
171.11708	2.9
173.13278	2.8
174.99252	5.0
175.14847	0.6
182.10960	0.6
187.14830	2.3
193.10211	0.9
197.13338	2.4
205.15988	1.0
215.14342	2.0
233.15367	12.3
236.06525	0.6
251.14175	1.1
251.16275	8.1
251.20160	1.7
269.10709	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
53.03941	1.4
55.01867	1.4
55.05511	4.3
57.03411	1.0
57.07087	3.9
57.07317	0.9
59.04998	3.7
64.57201	0.8
65.03923	1.0
67.05241	0.7
67.05511	7.3
69.03416	2.7
69.07087	5.0
70.06577	2.6
71.04995	59.2
71.52032	1.3
72.08145	1.5
79.05499	6.7
81.03413	1.9
81.07056	13.4
83.04564	0.9
83.04983	11.4
83.08601	3.1
84.08146	4.6
85.02856	1.2
85.06525	3.0
86.09708	1.6
91.05489	7.2
93.07037	9.8
95.04973	16.4
95.08617	10.3
96.76157	0.7
97.06023	0.8
97.06535	10.0
98.09741	0.7
98.98470	100.0
99.04432	1.6
99.08066	1.2
102.33323	0.8
103.05453	1.0
105.03382	1.1
105.07033	9.7
107.04934	1.9
107.08601	10.4
109.06488	3.4
109.10158	7.2
110.07051	0.9
111.08054	2.7
112.08698	0.9
113.05993	2.3
113.09624	1.2
115.05434	0.9
116.99487	2.2
117.07008	2.4
117.77817	0.9
119.08578	6.8
120.78007	0.8
121.06482	3.4
121.10143	17.3
123.08065	5.5
123.11730	4.0
125.06000	35.2
125.09621	2.1
129.07008	1.7
130.07835	0.8
131.08597	6.1
133.10167	4.7
135.06621	0.8
135.08032	3.7
135.11682	4.4
137.09628	2.5
140.01089	1.6
143.08481	1.2
144.49904	0.8
145.10141	9.2
146.06119	0.8
147.08047	2.6
147.11652	3.5
149.09657	8.8
149.13266	1.0
151.07542	7.4
155.10710	1.2
157.10056	1.5
159.08011	1.1
159.11742	3.8
163.11185	42.4
164.24458	0.8
165.09105	1.4
167.06888	0.8
167.10680	1.5
171.11671	1.1
173.09579	1.6
173.13219	2.9
174.99245	5.7
175.11166	3.5
177.09105	3.1
181.12236	18.0
187.14842	2.4
189.12701	1.9
191.10616	1.0
191.14247	3.1
193.12195	2.5
195.10179	2.1
205.15845	1.2
207.13614	1.0
215.14218	3.0
215.17973	1.2
215.20529	0.7
233.11635	1.5
233.15381	13.9
233.18988	2.5
251.16405	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	250.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26080	0.5
55.05509	0.7
56.05040	5.4
58.06606	21.5
67.05482	0.8
69.03434	3.4
70.06567	1.7
70.82841	0.7
70.83187	1.2
72.08128	1.5
75.09248	32.3
77.08000	0.7
79.05485	2.6
80.05002	1.1
81.07071	4.0
82.06571	0.8
84.04493	2.5
84.08151	6.7
85.07652	1.0
86.09686	1.5
91.05468	2.4
93.07032	2.3
94.06562	1.3
96.04499	0.7
97.06494	0.8
98.06043	0.7
103.05428	0.8
105.07037	9.8
106.06558	5.8
107.08576	1.1
108.08127	0.9
110.03531	0.9
110.06039	0.8
117.07021	0.7
118.06567	1.6
119.07352	0.9
119.08531	1.2
120.08116	5.8
121.06500	5.4
121.10144	1.2
122.09699	4.2
124.07578	1.2
124.11275	0.6
131.08527	3.1
132.08101	3.4
133.08859	1.9
133.10123	0.7
134.06024	22.7
134.09657	4.5
135.03052	3.1
136.06255	0.8
136.07571	1.4
136.11220	0.8
144.08128	0.7
146.06029	0.7
146.09659	2.6
147.06805	0.8
147.10417	1.0
148.07558	1.8
148.11224	19.6
150.12773	0.7
152.05679	30.0
152.10678	3.2
153.04071	2.0
158.09634	2.4
160.11288	1.0
161.08411	0.7
161.11923	0.9
162.12773	11.9
164.10680	0.9
172.11217	1.0
173.10696	2.2
174.09142	0.8
176.10718	100.0
177.12344	1.4
177.13893	24.7
178.12285	15.0
178.13518	0.4
188.14365	3.5
190.10899	0.9
190.12340	6.4
195.14932	1.9
198.12846	0.8
205.16988	0.8
207.14967	8.2
215.15381	0.9
216.13866	16.0
233.16499	42.8
234.11288	2.1
250.13037	13.3
250.19176	53.8
251.13777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01871	0.4
55.05502	0.8
55.77419	0.3
57.03431	1.0
58.43913	0.3
60.04523	0.4
61.02921	0.7
64.73219	0.3
69.03434	2.2
69.07051	0.4
70.02944	0.4
70.06599	5.5
70.98238	0.6
71.06928	0.3
72.08150	1.2
73.02943	0.4
81.03430	0.8
81.07060	0.3
84.04515	0.5
84.08129	2.5
85.02908	14.5
86.09696	1.6
87.10010	0.4
88.07633	100.0
91.05452	0.3
93.07012	0.5
96.04530	0.4
97.02900	2.4
98.98480	1.2
99.04461	0.5
109.02895	1.6
110.07138	0.8
120.08086	0.4
121.06512	3.3
122.06901	0.5
127.03923	2.8
129.10265	0.9
130.05025	1.6
132.86530	0.3
136.06189	3.4
136.07144	0.4
136.07471	0.2
136.71178	0.3
141.82561	0.3
143.08589	0.5
145.04984	1.7
147.04468	0.4
160.11130	0.3
161.06007	0.6
163.06082	0.6
164.07030	0.7
171.08055	0.4
177.07838	4.9
188.10742	0.4
189.09145	0.4
201.06952	0.4
206.11768	20.2
216.98029	0.3
250.10623	0.9
250.12708	1.1
250.14801	6.6
250.19283	1.0
252.14381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.2009
Annotation	Lycopodine
Peak:m/z	Relative Intensity
55.05503	0.3
56.05027	0.4
56.96545	0.2
65.38322	0.2
67.05505	0.5
68.03662	0.2
69.03420	0.3
69.07051	0.5
70.06594	7.7
70.91107	0.2
70.91421	0.3
72.08144	0.6
79.05487	0.3
81.07037	0.3
84.04489	0.4
84.08151	3.8
84.60589	0.2
85.02901	0.3
86.09711	1.4
87.10049	0.3
91.05479	0.6
93.07051	0.9
94.06572	0.2
95.04986	0.2
95.08599	0.4
96.08127	0.8
103.05471	0.2
105.07018	0.6
107.08576	0.2
108.08064	0.2
110.07154	0.9
110.09680	0.2
110.51280	0.2
112.11170	0.2
119.08575	1.3
120.08087	1.0
121.06495	1.1
121.08433	0.3
122.06005	0.2
122.09635	0.2
123.06786	0.1
129.10229	0.5
132.04550	0.2
132.61320	0.1
133.10143	0.3
134.09653	1.7
135.08047	0.5
135.11665	0.3
136.07526	0.5
136.11258	0.4
137.09612	0.4
146.05959	0.2
147.10371	0.2
148.11192	0.6
150.11703	0.2
150.12759	1.2
160.11246	0.4
161.13210	0.3
162.12781	2.2
163.13503	0.4
164.14320	0.8
168.13861	0.6
173.08340	0.3
174.09122	0.2
174.12772	2.3
175.13567	1.4
176.14378	0.5
182.07095	0.3
186.12823	0.2
186.14938	0.9
188.10808	0.3
190.12375	0.2
191.07486	0.5
200.14372	2.1
201.15137	0.8
202.12492	0.2
202.15923	3.1
204.17487	20.8
206.18915	0.4
218.15393	0.4
219.16194	2.4
220.09630	0.3
230.11661	0.3
230.19061	8.1
248.09190	1.3
248.13200	1.5
248.20096	100.0
249.20413	0.7
260.68903	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13238	3.0
70.91034	7.2
80.52055	3.0
80.87017	3.7
86.35346	3.0
91.46069	3.3
94.92999	9.0
96.81836	2.8
115.69067	3.1
131.44046	3.5
206.88669	3.3
219.51738	3.4
231.81807	3.3
249.03745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1488
Annotation	[R-(E)]-6-(4-Formyl-3-cyclohexen-1-yl)-2-methyl-2,6-heptadienoic acid
Peak:m/z	Relative Intensity
51.31395	1.9
52.53773	1.9
53.03943	8.5
55.01879	4.4
55.05507	18.6
56.96560	4.8
57.07065	3.1
59.04997	4.6
65.03934	3.3
67.01865	3.5
67.05511	36.6
69.03433	27.6
69.07063	9.3
70.06601	4.6
71.04980	7.5
71.35788	2.6
79.05503	30.5
80.06283	2.8
81.03418	3.5
81.06592	3.6
81.07064	60.5
83.04567	2.2
83.04970	12.7
83.08622	7.6
84.08143	5.9
85.02906	8.2
85.06551	4.0
86.09713	3.6
87.04462	4.6
91.05486	52.0
93.07050	100.0
94.07412	2.9
95.04980	67.6
95.08614	48.7
97.02896	6.7
97.06524	5.5
103.05481	5.2
105.04504	4.8
105.07039	52.2
105.07704	4.2
107.04949	10.7
107.08613	44.6
108.08927	3.3
109.02865	6.1
109.06532	41.1
109.10158	16.4
110.07223	2.9
111.04469	5.1
111.08098	37.5
115.05489	4.5
117.07014	12.9
119.04955	5.5
119.08592	57.3
121.06512	78.2
121.10146	36.7
123.04476	3.7
123.08069	24.2
123.11710	4.8
127.03948	4.5
128.06229	6.0
129.07024	11.0
131.08556	22.0
133.06499	7.0
133.10139	25.0
134.10426	4.0
135.04413	3.2
135.08055	21.8
135.11684	6.2
137.06013	7.0
137.09633	7.1
137.24457	2.4
139.07542	5.9
142.07780	7.9
143.08597	12.4
144.09407	2.3
145.10152	16.8
147.08060	92.3
147.11714	16.8
148.12033	2.5
149.06010	20.5
149.09610	18.5
149.12369	2.5
151.07565	7.4
155.08418	2.3
156.09265	4.4
157.10114	18.7
159.08093	3.1
159.11746	9.1
161.05928	3.6
161.09633	12.6
161.13306	7.8
165.05536	4.4
165.06976	2.7
170.10866	6.7
171.11693	6.9
172.08900	3.8
173.09607	7.3
175.07553	30.1
175.11183	42.6
175.14839	8.9
180.09413	5.3
183.08034	4.3
185.13274	13.6
187.11241	2.8
189.09119	5.2
189.12767	10.0
189.16486	2.3
195.11662	4.4
198.10399	5.7
201.16481	2.3
203.14401	14.2
207.13887	4.0
213.12781	25.0
231.13820	34.8
231.17403	3.4
249.08937	3.8
249.11107	6.9
249.12192	2.8
249.14763	39.8
249.18794	10.8
249.22276	3.1
249.25200	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	248.1644
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
52.44101	0.3
55.05515	1.3
57.03448	0.5
57.07074	0.3
58.30300	0.3
59.05008	0.8
67.01633	0.2
67.05499	0.9
69.03444	0.4
69.07069	7.3
70.06604	1.9
71.52084	0.4
72.04213	0.2
73.06551	3.9
79.05489	0.6
79.37218	0.3
80.05013	0.5
81.07071	0.4
83.04991	1.3
84.08143	0.9
91.05476	1.2
92.04931	0.3
93.05811	0.3
93.07047	0.8
94.06591	0.4
95.05013	0.3
97.06526	0.6
98.97614	0.4
105.07018	0.7
106.06540	0.4
107.08630	0.4
111.04446	1.9
115.05502	0.4
117.07016	1.5
118.06553	7.9
119.07322	8.2
119.08584	0.5
120.08140	0.5
121.06509	2.9
122.05986	0.4
129.10283	0.3
132.08084	0.7
134.09657	86.7
136.07520	0.4
136.41153	0.3
138.09134	0.4
150.12804	0.3
165.02251	0.3
172.07574	0.5
174.09164	0.6
174.12828	0.5
176.14389	0.4
202.08696	0.4
204.10159	0.3
204.17413	0.4
212.14307	0.3
218.72678	0.3
230.11815	0.5
231.06940	0.4
248.09558	3.1
248.16473	100.0
249.16840	0.9
251.36415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1695
Annotation	(-)-Methyl asperageigerate
Peak:m/z	Relative Intensity
53.03926	2.9
55.01858	1.8
55.05512	9.6
56.96563	1.1
57.03424	2.5
57.07057	3.5
59.70954	0.8
61.18162	0.9
63.04716	1.0
67.05506	14.0
69.03415	2.3
69.07068	9.5
70.06581	2.9
71.04969	3.6
71.51766	1.5
72.08150	1.8
75.04427	0.9
77.03900	1.0
79.05070	1.4
79.05497	17.6
80.06229	1.1
81.03405	2.1
81.07062	21.6
83.04974	2.1
83.08607	1.6
84.08143	1.8
85.02888	3.1
85.06568	4.2
86.09684	3.3
87.04469	1.5
91.05479	26.7
92.06248	1.6
93.07049	45.8
95.04967	5.9
95.08611	42.2
97.02877	1.8
97.06505	3.5
97.10181	1.1
98.97543	1.3
99.04447	4.0
103.05397	1.1
105.03381	1.1
105.07037	52.2
106.07841	5.4
107.04948	1.1
107.08598	65.9
109.02862	1.2
109.06532	5.1
109.10164	12.4
111.08054	3.8
113.05977	1.6
116.98616	1.0
117.07027	6.9
119.08586	46.6
120.08115	4.9
120.09363	4.7
120.78551	0.9
121.06525	6.1
121.10150	18.3
123.08082	4.3
123.11687	3.5
125.09640	2.0
127.03941	2.5
128.06235	1.7
129.07021	2.6
130.07756	2.2
131.08572	15.7
131.69864	1.0
133.10135	100.0
135.08096	4.7
135.10710	1.4
135.11700	27.2
137.09570	2.3
137.13245	1.5
139.07556	1.7
142.07695	1.2
143.08508	4.0
144.09317	2.4
145.06508	1.6
145.10136	24.8
147.08005	3.8
147.11694	67.8
148.12476	34.1
148.13667	1.3
149.09607	2.9
149.13292	4.9
151.11203	1.9
153.09126	0.9
155.08543	3.3
157.10103	2.8
158.07251	1.6
158.10924	1.3
158.99602	0.9
159.08038	2.3
159.11690	21.5
161.09631	2.3
161.13260	4.2
163.07483	1.1
163.11288	1.4
163.14882	1.1
165.09091	2.5
169.10089	2.2
171.11699	3.9
173.09666	5.6
173.13266	30.4
174.10405	1.2
174.16699	1.0
175.11200	1.0
175.14767	1.1
176.14532	1.0
177.09074	2.1
182.42296	0.9
183.11641	1.2
187.11189	5.1
187.14864	4.5
187.16270	0.9
189.16357	2.6
191.07010	1.5
191.10585	3.5
201.09082	3.8
201.12686	2.7
201.16376	24.4
203.17978	2.2
204.08946	4.2
205.12245	2.1
208.05725	0.9
211.11272	1.2
211.14774	3.5
229.12325	2.0
229.15877	8.7
229.19470	4.3
229.79945	0.9
247.09746	6.0
247.13235	2.0
247.14197	2.5
247.14703	2.3
247.16919	59.1
247.20604	5.9
247.24188	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1696
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03933	3.3
55.01860	4.4
55.05506	8.7
56.96561	2.2
57.03431	2.5
57.07083	7.5
59.05006	2.9
65.03918	1.5
67.05511	12.2
67.19368	1.1
69.03432	9.5
69.07072	11.4
70.06584	4.1
71.04985	4.8
71.52209	1.3
72.08112	1.8
73.02896	1.4
73.50616	1.1
74.79258	1.0
79.05503	12.5
81.03390	4.1
81.07063	23.6
83.04978	6.2
83.08626	6.7
84.08122	2.0
85.02924	5.4
85.06558	6.9
86.09720	1.9
91.04926	1.3
91.05492	21.7
93.06498	1.7
93.07052	29.4
95.04974	17.2
95.08613	33.5
97.02891	3.3
97.06515	4.5
97.10133	1.5
98.97556	3.8
99.04395	1.3
99.08114	1.5
103.05460	2.0
105.07038	35.5
107.04940	4.2
107.08607	34.0
109.02838	2.9
109.06527	15.7
109.10168	12.0
111.04465	1.2
111.08057	2.5
114.72313	1.1
115.05467	2.0
116.98631	1.5
117.07017	14.5
117.95004	1.1
119.06088	1.1
119.08588	35.6
120.08128	5.7
121.06496	10.1
121.10149	27.4
123.08070	5.3
123.11675	3.5
125.06013	1.3
125.09589	4.4
127.03874	2.1
128.06239	2.3
129.06999	6.6
130.07787	4.8
131.08577	23.3
132.95842	3.2
133.02850	1.3
133.06439	2.3
133.10139	25.0
134.06033	2.0
135.08052	22.7
135.11710	7.4
137.09607	2.9
139.11201	2.1
141.06975	1.4
142.07788	2.7
143.08580	9.5
144.09335	2.6
145.04962	1.3
145.06476	3.0
145.10136	54.3
147.08060	18.1
147.11705	16.3
148.12473	2.9
149.05946	1.1
149.09634	18.4
149.13274	2.0
150.06702	1.4
150.96970	1.6
151.11179	2.7
152.03441	2.3
155.08548	6.5
156.09323	3.8
157.10182	8.5
158.10875	1.9
158.99661	1.3
159.08026	5.1
159.11708	30.8
160.11177	1.2
161.09627	8.0
161.13266	7.9
163.07521	2.3
163.11203	11.1
165.09045	1.7
169.10152	7.8
170.10844	3.2
171.11705	11.4
173.09634	22.4
173.13268	9.5
174.96867	2.3
175.11113	1.9
175.14864	3.0
177.09100	2.1
177.12735	1.7
179.03400	5.6
179.05243	2.1
181.10077	3.4
183.11693	3.0
185.13304	6.5
186.10628	1.8
186.14075	2.2
187.07542	2.1
187.11211	8.8
187.14867	8.9
189.12737	8.2
189.16339	1.5
191.10657	14.3
196.12476	6.4
199.11224	6.2
201.12749	4.2
201.16383	17.0
203.14265	2.7
205.15948	2.7
211.14809	14.4
213.05934	1.5
214.13469	9.4
219.17397	1.3
224.03584	3.4
226.05080	1.1
229.12337	2.1
229.15891	43.6
229.19536	3.4
235.05507	2.9
235.55545	1.7
239.05925	3.7
247.11505	3.1
247.14185	3.4
247.16928	100.0
247.20712	5.1
247.24258	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	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03942	4.1
55.01863	2.7
55.05510	18.1
56.44136	2.3
56.96548	4.0
57.07062	5.7
59.05008	2.1
67.03615	2.1
67.05509	19.5
69.03421	10.0
69.07079	16.4
70.06605	3.6
70.16199	4.1
70.16598	5.3
71.04996	6.0
72.08172	2.5
79.05495	30.8
81.07058	32.9
82.25816	2.2
83.04987	11.9
83.08624	12.2
85.06517	5.7
86.09724	3.1
89.08832	2.2
91.05479	35.2
93.07049	58.2
95.04953	16.0
95.08614	26.9
96.53626	2.3
96.68040	2.1
97.06519	5.7
99.08107	4.7
105.07041	32.8
107.04958	3.9
107.08598	94.3
109.06528	14.4
109.10161	14.7
111.08060	2.5
117.07031	10.8
119.08594	34.7
120.08109	6.1
121.06510	30.5
121.10133	25.6
123.08054	17.6
123.11704	4.6
125.08782	3.9
125.09644	56.0
128.06236	3.6
129.07004	6.6
130.07793	4.1
131.08589	24.6
133.10149	19.7
135.08029	12.2
135.11707	10.2
137.06012	4.4
137.07011	2.3
137.09573	5.6
143.08554	6.9
144.09346	4.3
145.09065	3.3
145.10136	43.2
147.08051	15.9
147.11696	19.0
149.09618	10.1
149.13272	6.4
151.11176	2.9
153.09129	2.4
155.08563	5.1
156.09352	10.5
157.10202	3.2
159.08122	5.5
159.11713	28.0
161.09627	6.4
161.13271	23.3
163.11249	7.4
163.14842	4.5
169.10164	7.1
170.10800	3.4
171.11710	32.8
173.09624	9.8
173.13293	9.2
177.12881	2.9
183.11734	3.6
185.13335	3.0
187.11150	9.0
187.14804	8.9
189.12735	40.1
191.10651	6.0
196.12549	7.4
201.12720	2.5
201.16360	7.8
205.15887	11.3
211.14880	14.2
214.13399	3.1
229.12311	3.6
229.15875	31.0
229.19530	10.0
232.12422	3.3
247.11432	3.1
247.14746	4.4
247.16960	100.0
247.20605	42.3
247.24501	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	247.129
Annotation	alpha-Asp-Ile
Peak:m/z	Relative Intensity
56.05023	1.4
61.01163	0.6
64.81877	0.6
69.03429	0.9
69.07067	9.5
70.02953	9.7
70.06579	2.7
70.09051	2.9
72.08144	1.4
72.33246	0.7
73.02905	2.1
84.04476	0.7
84.08152	3.2
85.02911	1.2
85.04022	3.0
86.09706	100.0
88.03992	56.8
91.27522	0.7
94.11461	0.6
96.08136	2.1
98.02427	4.1
98.21424	0.9
99.00807	1.1
100.03959	1.7
103.05508	0.8
104.05328	2.0
110.02395	14.3
110.07187	0.9
113.10768	12.3
116.07102	3.1
120.08073	1.2
124.03974	3.1
132.10204	55.8
136.07628	0.9
138.09151	2.1
141.10225	24.1
155.11768	2.4
156.10199	4.9
166.08640	20.1
169.09741	1.0
183.11281	9.3
184.09715	3.9
187.10771	15.6
201.07361	1.2
201.12341	48.5
211.10785	1.9
212.09174	21.1
229.11841	9.6
247.10730	1.3
247.12910	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1332
Annotation	[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
53.03946	4.4
55.01862	1.0
55.05515	5.9
57.03438	1.0
57.07064	1.9
60.70139	1.0
65.03931	3.7
67.05507	5.7
69.03433	24.7
69.07061	3.1
69.94775	4.9
70.06590	1.1
76.08521	1.0
79.05505	8.6
81.03425	1.6
81.07055	12.6
83.04987	20.7
85.02898	3.1
85.06531	1.1
86.55369	1.1
91.05477	15.3
91.48939	1.1
93.03393	3.0
93.07040	16.6
95.04969	5.5
95.08619	6.3
97.02914	8.2
97.06543	1.4
97.79101	1.0
98.20811	1.1
105.07039	16.0
105.22890	1.3
107.04955	1.3
107.08603	18.1
109.02888	20.2
109.06520	14.5
109.10155	6.0
111.04457	7.7
115.05473	2.5
116.06228	1.0
117.07023	9.8
119.04963	1.2
119.08583	24.5
121.02875	3.2
121.05674	1.4
121.06507	18.8
121.10154	9.9
122.07324	1.8
123.04424	1.1
123.08066	2.8
123.11704	1.5
123.64742	0.9
125.05999	1.2
128.06227	2.4
129.07022	6.1
130.07802	2.2
131.08580	20.7
132.05733	1.4
132.95830	2.7
133.06470	2.1
133.10133	13.7
135.08061	27.7
135.11720	2.7
137.05997	7.6
137.09613	4.4
139.03917	2.2
141.07025	1.4
142.07730	1.9
143.08583	11.1
144.09354	10.5
145.06512	8.9
145.10139	14.3
147.08084	5.9
147.11703	2.4
149.05988	1.1
149.09630	24.7
149.13226	1.2
150.10406	3.3
151.07582	1.3
151.11166	4.6
153.07033	1.5
153.09087	2.2
155.08537	4.8
157.06433	1.5
157.10132	4.5
158.07278	2.7
158.10924	11.5
159.08075	10.4
159.11700	35.2
160.08842	4.1
161.09659	4.6
161.13254	1.8
163.07558	20.0
163.11206	4.5
163.14801	1.0
165.09126	2.4
168.09367	4.1
169.10150	4.0
170.10925	4.6
171.08087	6.7
171.11710	1.3
172.08867	12.8
173.06075	1.0
173.09650	27.8
173.13275	45.7
175.11234	1.1
177.12703	1.2
181.06473	1.4
183.11707	8.1
185.09579	2.4
185.13202	2.1
186.10410	24.5
187.07585	2.4
187.11194	100.0
189.09103	2.7
189.16415	1.4
191.07028	26.9
191.10664	1.0
193.10207	1.6
196.08859	5.1
199.07509	2.4
201.12758	68.8
203.14348	1.3
205.12234	11.1
211.11211	10.2
214.09863	4.8
219.13788	5.2
229.12256	71.2
229.19516	2.3
247.13303	64.8
247.17061	4.4
247.20615	2.5
247.24200	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	246.145
Annotation	H-Leu-Asn-OH
Peak:m/z	Relative Intensity
55.05511	3.1
62.83081	1.4
64.80203	1.4
67.05501	3.2
69.07069	50.1
70.02956	17.2
70.06586	6.0
71.05614	3.5
71.32314	1.4
72.08138	4.9
73.02919	3.3
73.04034	2.2
73.06551	2.7
74.06081	1.7
84.04494	3.8
84.08149	16.8
85.04039	14.1
86.09711	68.5
87.05595	80.7
88.03984	4.7
94.06557	3.0
95.04972	3.9
96.08125	2.9
97.06519	5.1
98.02420	22.0
98.09699	3.8
104.05314	1.7
110.02409	67.5
110.06032	1.5
112.07605	3.6
113.10768	49.7
120.08073	4.2
122.09621	3.7
124.03960	13.7
125.28642	1.5
129.10300	3.6
130.08672	2.3
132.10213	22.4
132.89250	1.8
138.09126	5.9
140.07080	16.2
141.10234	95.7
143.11804	5.0
155.07080	2.7
155.11787	8.8
158.08159	3.9
166.08649	86.2
169.09775	8.5
183.11305	14.6
187.10788	60.8
196.09717	3.1
200.13940	32.8
201.12373	2.8
211.10857	10.1
212.09183	100.0
214.10757	2.1
228.13417	6.6
229.11855	67.4
246.14420	10.3
246.18033	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.3
56.05019	7.1
56.96570	4.1
57.03436	2.9
57.18613	1.7
60.04509	3.2
67.05511	9.6
69.03425	3.3
69.07072	58.8
69.60497	5.2
69.60908	6.4
70.02953	16.5
70.06596	19.4
71.04973	3.5
71.87525	2.0
72.08166	14.9
73.02895	2.4
73.04018	2.2
73.06544	4.0
74.06052	7.0
79.05471	1.9
80.01366	1.8
80.04965	3.4
82.06555	3.1
83.01324	5.4
83.04938	2.5
84.04523	14.7
84.08149	66.3
85.02892	3.0
85.04040	16.0
85.06505	3.4
86.09713	66.8
86.90846	1.8
87.05595	64.3
88.03986	3.7
91.05428	2.1
94.06568	21.0
95.04977	51.0
95.07325	2.4
95.08570	6.9
96.04489	3.0
96.08138	10.3
97.02872	2.1
97.06543	9.6
98.02425	25.0
98.06067	12.5
98.09696	3.7
98.97554	5.4
99.04436	7.1
100.07592	2.8
102.05516	2.9
105.07005	3.3
109.06509	2.8
110.02413	52.6
110.06041	9.6
110.09645	2.6
110.97483	2.5
112.07619	32.5
112.88422	2.0
113.05994	9.3
113.10052	2.2
113.10775	36.2
114.05499	3.3
115.04999	2.0
115.07513	2.3
116.98596	2.6
120.08111	2.0
121.06461	4.3
122.06074	9.0
122.09675	13.9
123.04378	7.8
123.08060	16.6
124.03969	14.5
124.07551	2.6
129.10254	16.1
130.05019	3.3
130.08611	7.6
132.10229	19.3
137.05949	1.9
138.09091	3.6
139.07501	2.4
140.07072	100.0
141.05481	12.4
141.10228	73.8
143.11774	4.1
147.11232	5.4
150.05418	2.7
150.09155	11.7
151.07480	5.4
155.07036	39.5
155.11728	7.4
156.03319	13.8
158.08134	73.4
158.09398	3.9
161.04584	2.0
166.08652	65.3
167.07002	4.2
168.03253	7.5
168.06464	5.4
168.10207	13.3
169.08534	5.2
169.09686	4.5
174.00507	5.4
174.04300	5.0
175.11839	3.5
179.06947	3.4
181.04953	9.7
183.11444	9.7
184.09688	3.9
186.04398	19.1
187.10777	55.5
196.06018	3.4
196.09691	15.7
197.08102	44.6
200.13992	31.0
201.12105	2.3
202.10612	3.5
204.05365	5.9
210.11357	2.3
211.09421	3.7
211.11053	2.2
212.09187	75.5
214.08884	2.3
214.10765	43.5
228.05374	12.3
228.12195	6.2
228.13612	1.7
229.07002	6.3
229.11865	52.6
229.15399	3.2
246.06535	4.9
246.09735	9.2
246.13292	73.0
246.17577	3.8
247.08247	2.4
264.78473	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44390	0.9
55.05507	8.3
56.05027	2.6
56.71677	0.9
56.96550	1.8
57.03426	2.4
60.04552	1.3
61.91214	0.8
67.05504	9.2
68.05006	1.8
69.03426	1.6
69.07069	9.5
70.02943	1.7
70.06597	9.1
71.04959	1.7
71.05598	1.6
72.08140	4.9
74.06055	1.2
79.05482	1.9
80.05023	4.5
81.07054	1.9
82.06568	2.1
83.01328	2.6
83.04967	1.0
84.04512	7.5
84.08144	33.9
85.02882	1.8
85.04003	1.1
85.06507	1.6
86.09707	21.5
87.05585	6.8
87.10053	1.4
88.03993	1.8
91.05441	1.5
93.07043	1.8
94.06570	24.5
95.04971	18.8
95.07333	2.7
95.08607	6.6
96.07566	1.1
96.08129	8.2
97.02874	1.4
97.06535	6.7
97.07545	0.8
98.02407	1.8
98.06068	7.4
98.09689	7.2
99.04423	1.7
102.05516	1.9
105.07014	2.4
107.07326	1.4
107.08607	5.2
108.08142	1.9
109.06496	1.5
110.02402	4.3
110.06051	9.9
111.04420	1.3
112.06848	2.1
112.07608	33.7
113.05997	3.3
113.10768	4.2
114.05579	1.2
115.05051	1.6
116.07087	1.0
120.08096	1.7
121.06508	3.2
122.06058	8.5
122.09675	19.3
123.04433	7.4
123.08080	7.8
124.07622	1.2
127.07509	1.8
127.40942	1.0
129.10219	3.9
130.04984	1.6
130.06473	1.0
130.08624	1.2
132.10214	9.5
135.08043	1.0
136.07614	1.1
138.05531	1.4
140.07066	100.0
140.14359	4.9
141.05452	10.1
141.10225	7.9
143.11754	2.5
147.11270	1.0
150.05527	0.8
150.09157	9.1
151.07530	4.9
152.10724	1.1
154.08632	4.1
155.07036	6.3
155.10606	1.4
158.08131	24.1
158.09399	1.4
158.15393	1.5
166.08632	5.8
168.06541	2.0
168.10188	6.4
169.08577	1.7
170.08092	4.4
172.09692	41.9
175.11906	1.1
178.08643	2.3
182.11757	5.6
183.10051	1.1
184.13338	3.2
187.10779	3.8
189.12325	1.3
192.20438	1.1
196.09685	9.8
197.08075	2.8
200.14024	1.8
201.12288	1.7
210.11276	11.6
211.09641	24.3
212.09206	6.0
214.10742	26.1
228.12299	26.8
228.15785	1.7
229.11832	3.9
246.13353	44.8
246.17308	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	245.1862
Annotation	Ile Ile
Peak:m/z	Relative Intensity
51.33426	0.2
56.05043	0.3
58.06592	0.4
69.07071	9.9
69.61249	0.4
69.61642	0.6
73.93369	0.3
86.09710	100.0
97.48964	0.2
101.72761	0.2
110.32780	0.2
116.41202	0.2
132.10222	1.8
148.08231	0.2
199.18147	0.7
245.18629	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	245.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07072	0.4
70.06586	0.3
71.37634	0.3
80.51070	0.2
86.09711	100.0
98.21512	0.2
104.43670	0.2
132.10211	3.5
157.23268	0.2
199.18034	1.5
227.17702	0.2
237.89590	0.2
245.18633	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	245.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92770	1.0
55.05518	7.1
57.07071	4.9
61.37693	1.2
62.40414	1.0
63.98561	1.1
67.05521	8.4
67.31744	1.1
69.06729	1.5
69.07072	16.5
71.51614	1.2
79.05494	5.9
81.07063	22.8
83.08624	8.2
90.67252	1.2
91.05489	4.8
93.06552	1.8
93.07056	15.4
95.08614	29.1
97.10144	4.5
105.07030	21.2
107.08601	26.6
109.10171	18.0
119.08598	19.1
121.10141	17.9
123.11724	14.7
125.74134	1.2
126.34671	1.2
133.10121	15.8
135.11711	15.7
137.13245	4.9
142.03171	1.3
145.10153	1.7
147.11703	14.1
149.13284	16.1
161.13292	14.6
163.14851	20.6
164.91475	1.2
175.14824	20.4
187.14850	2.6
189.14670	0.9
189.16396	24.0
203.17972	8.7
209.15111	1.6
224.01221	1.3
245.22672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1386
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
52.54670	1.2
53.03947	1.5
55.01871	12.2
55.05511	6.5
57.03440	2.1
57.07076	5.4
63.48253	1.4
67.05514	14.5
69.03427	7.9
69.07079	15.7
71.04995	6.8
71.12948	1.2
71.51999	2.0
75.01072	1.3
79.05500	20.7
81.07066	25.8
83.04974	3.6
85.06557	20.7
86.09709	4.8
91.05473	9.7
93.07048	56.5
95.04975	6.6
95.08637	9.5
97.06531	16.6
97.98227	1.2
99.04472	15.3
101.06034	2.7
105.07043	31.4
107.04930	2.8
107.08602	72.6
109.06522	12.8
111.08119	6.7
113.06005	12.1
117.07031	6.4
119.08586	19.4
120.56828	1.4
121.06515	23.0
121.10152	48.2
122.06889	1.5
123.08054	9.3
126.19146	1.5
127.07525	1.8
130.07774	2.1
131.08594	3.8
131.82146	1.6
133.06500	3.2
135.08069	9.6
135.11710	18.4
137.09659	2.1
138.06325	2.3
139.11186	3.9
143.08580	2.3
145.10136	35.2
147.11699	5.1
149.09612	15.0
151.07513	6.5
153.12805	2.6
163.11189	100.0
167.10689	31.9
169.08617	57.9
171.11668	2.6
173.09622	8.0
177.01512	1.3
181.12254	39.1
185.11760	13.3
191.10680	57.1
209.11755	40.9
227.12781	24.3
245.17323	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1385
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
53.03936	2.2
55.01868	7.9
55.05516	68.1
57.03441	25.5
57.07051	2.1
59.04988	3.1
67.05510	20.1
69.03436	8.0
69.07069	11.0
69.54888	3.8
69.55296	6.6
79.05079	1.7
79.05495	18.5
81.07064	19.7
83.04980	3.9
83.08158	2.8
83.08624	43.2
85.06563	2.2
86.09713	2.7
87.04473	1.5
91.05438	2.4
93.07043	7.4
95.08608	3.0
97.10178	100.0
101.09668	3.3
105.07028	2.9
107.08602	24.2
109.10139	3.3
111.08088	3.1
125.09639	90.5
125.90935	1.6
133.10100	1.8
134.64925	1.4
135.08083	10.5
143.10695	4.9
153.09108	6.1
171.10178	9.2
175.14894	2.1
182.57671	1.5
189.11230	92.1
227.12759	3.0
245.13855	89.7
245.19058	2.9
245.22626	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	245.1384
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
51.51144	1.3
53.03931	2.8
55.01853	5.7
55.05513	77.0
57.03437	27.4
61.50663	1.5
67.05502	19.1
68.64679	1.5
69.03423	8.7
69.07066	11.6
70.81362	4.0
79.05487	22.8
81.07066	18.3
83.04958	5.3
83.08621	48.9
85.06541	2.4
86.09687	2.5
87.04480	2.9
91.05466	4.3
93.07023	7.4
95.08613	2.8
97.10173	98.9
105.07040	4.0
107.08598	29.4
109.10139	6.8
111.08076	4.7
113.03477	2.0
117.07013	3.1
125.09631	97.0
135.08076	9.7
143.08632	1.7
143.10625	7.0
153.09091	5.2
171.10170	10.0
189.11227	96.3
227.12781	6.3
245.13834	100.0
245.19034	3.5
245.22636	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0059
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96581	8.7
60.08161	2.7
63.20539	1.9
70.06579	3.5
71.51019	1.8
72.08163	1.6
79.89732	1.7
84.04531	2.2
84.08152	8.2
86.09714	2.7
98.97559	5.3
101.00881	3.6
104.10747	100.0
105.11082	6.5
112.05093	11.3
112.89608	7.4
113.05457	8.2
116.98626	3.5
119.01946	6.0
124.00714	5.5
126.12793	1.7
129.07245	1.5
131.01865	1.6
133.03500	2.5
135.61441	1.5
141.30959	1.5
141.91273	12.9
142.01776	18.6
143.01920	3.7
143.91133	4.9
144.13844	26.4
160.02820	7.1
161.02986	4.5
166.81761	1.9
185.02505	2.3
190.79333	1.7
203.03401	17.7
206.93240	1.5
212.66544	1.6
221.04460	9.4
245.00562	3.1
245.05124	4.4
245.11432	6.2
245.14972	2.4
263.02798	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1384
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
54.10095	4.9
55.01876	9.9
55.05505	9.6
64.51056	4.3
67.05493	9.9
69.03437	6.2
69.07092	10.1
71.04993	8.9
71.25513	9.5
79.05502	17.8
81.07056	19.0
83.04977	4.8
85.06546	15.3
86.09709	9.3
86.54294	4.5
91.05492	6.6
91.09778	5.3
93.07050	45.4
95.08612	20.2
97.06525	11.2
99.04459	12.1
105.07030	23.0
107.08595	50.2
107.88592	4.2
109.06511	11.4
110.92397	4.5
111.08059	5.5
113.06004	10.5
117.14975	5.0
118.06515	4.9
119.08598	12.6
121.06510	16.4
121.10155	34.6
123.08094	15.4
130.06529	10.3
132.08098	49.5
135.08064	6.6
135.11659	10.9
145.10155	25.0
147.11641	4.7
149.09631	8.8
156.08099	5.6
157.07600	11.1
158.08415	9.1
159.09175	100.0
159.10394	8.2
160.07619	5.4
163.11176	68.5
167.06032	5.7
167.10620	23.2
169.08606	47.7
173.09567	4.8
181.12314	24.7
184.07581	20.1
185.07091	41.6
185.11688	5.9
191.10699	36.6
200.07025	7.2
201.10262	13.1
209.11725	26.8
227.08228	41.9
227.12820	20.7
245.09317	31.4
245.99062	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	243.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
56.05035	3.4
58.51370	0.2
59.04962	0.3
60.05640	0.8
67.05505	0.5
69.07066	2.1
70.06594	5.7
71.51481	0.6
72.08157	0.9
79.05505	0.5
80.05010	0.4
81.07057	0.4
84.04507	87.5
84.08147	5.1
85.02945	0.4
86.09708	100.0
95.04984	0.6
96.04488	0.7
97.06525	0.6
98.09701	1.9
101.06018	0.3
102.05538	0.5
110.06003	0.4
110.07166	1.0
111.05608	0.6
113.07129	1.7
116.07090	0.8
121.06511	0.4
123.04450	0.5
123.05538	0.4
127.12312	0.5
128.07042	0.4
129.06596	4.4
129.10262	0.8
130.05043	0.6
132.10207	49.3
135.04424	0.3
140.14336	1.2
141.06590	4.2
152.10654	0.7
155.02777	0.4
156.07736	0.4
158.09221	0.4
175.11852	0.5
179.11787	1.0
180.10191	0.5
197.03796	0.5
197.12859	46.2
198.16154	0.3
215.13985	0.6
225.10136	0.5
225.12354	3.7
225.15933	0.9
243.04314	1.1
243.08517	0.9
243.13400	18.0
243.17981	2.2
244.15440	1.7
255.07852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61865	0.2
56.96566	0.9
71.50705	0.3
76.93459	0.2
82.99842	0.6
83.99928	0.3
84.08144	0.2
98.97588	3.1
99.97946	0.9
100.97221	0.3
101.00890	6.4
101.97182	0.4
102.00956	2.1
102.96877	0.2
103.00623	0.2
116.98611	1.5
117.98972	0.6
119.01929	13.6
120.02016	3.9
120.97891	0.3
121.01652	0.3
124.02425	0.3
130.93329	0.2
134.99709	0.7
135.99939	0.3
137.02950	2.3
138.03058	0.5
140.98831	0.4
141.98932	1.3
142.03505	1.8
143.01920	0.4
155.01857	0.2
157.03435	0.2
158.99870	0.6
160.00011	2.8
160.04509	0.3
160.99687	0.2
161.02962	4.3
163.36331	0.2
176.03177	0.5
177.00987	3.0
178.01056	17.1
179.00691	1.5
179.04016	3.8
183.99963	0.9
184.04539	0.7
184.99683	0.3
185.03003	0.4
187.04443	0.2
194.04205	0.3
196.02135	0.2
200.03235	0.4
201.00943	0.4
202.01035	3.1
202.02686	0.2
202.05612	0.5
203.00743	0.3
203.04008	0.8
214.50314	0.2
218.04210	3.1
219.01979	1.9
219.03809	0.2
220.02132	22.1
220.94243	0.4
221.01788	4.2
221.05019	0.4
226.00983	2.2
228.17664	0.2
243.03865	0.3
244.02130	13.0
245.01974	0.6
245.05048	0.4
261.03143	0.3
262.03204	100.0
263.02859	5.4
264.03653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
55.93818	0.3
57.07080	5.1
58.06593	0.8
62.93921	0.3
67.05511	8.6
69.07072	1.1
70.05902	1.1
70.06238	0.3
70.06592	6.3
72.88731	0.3
81.07053	1.1
84.08149	5.2
88.62103	0.3
96.08147	0.5
98.09695	89.9
103.07587	0.7
109.10165	2.7
111.10477	1.5
112.11236	1.1
120.81644	0.4
132.88124	0.3
140.14343	46.0
158.15416	3.8
197.10141	0.4
242.21150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
57.07078	4.0
58.06599	0.5
67.05175	0.7
67.05507	7.5
69.07065	1.3
70.06601	6.2
70.47323	0.8
70.47667	0.7
79.46288	0.4
81.07070	1.6
82.38191	0.4
84.08151	4.5
85.06546	0.7
97.08929	0.5
98.09695	82.4
105.76572	0.4
108.67187	0.4
109.10172	2.5
110.32465	0.4
111.10480	1.2
112.11244	1.5
117.15379	0.4
140.14346	34.5
158.15417	5.5
228.67307	0.4
242.21150	100.0
243.21454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91528	0.3
55.05513	0.6
56.05033	3.4
56.96562	0.4
58.06601	0.4
60.04529	0.4
60.05653	2.6
61.85735	0.3
63.47750	0.3
67.05505	0.7
69.07074	5.1
69.49928	0.3
70.06599	9.8
71.05037	0.4
71.19224	0.6
72.08157	1.2
73.02939	0.4
79.05517	0.4
81.07017	0.6
83.06106	0.6
84.04513	85.8
84.08153	6.7
85.02925	0.5
86.09714	100.0
87.04466	0.4
93.07074	0.4
95.04951	0.7
95.08626	0.4
96.04502	0.9
97.02884	0.4
97.06526	1.3
98.09695	1.4
98.97604	0.4
102.05535	0.9
105.07020	0.3
109.06522	0.6
109.10119	0.3
110.07172	1.8
111.05555	0.6
112.08737	0.7
113.07140	1.5
114.05509	0.4
115.08698	0.6
116.07104	2.3
121.06535	0.6
123.04491	0.5
127.12295	0.8
128.11847	0.4
129.06624	4.7
129.10263	1.4
130.04984	0.6
130.09764	1.3
132.10216	46.8
133.09724	0.4
136.11226	1.4
141.06583	3.4
150.05396	0.4
152.10719	1.2
154.01978	0.5
155.02730	0.4
156.07697	1.3
158.09285	1.0
158.53735	0.4
159.54912	0.3
166.08577	0.3
175.11908	1.3
179.11792	1.1
180.10136	0.7
186.41505	0.3
197.03740	0.9
197.12872	46.6
198.11198	0.4
198.16045	0.8
208.09619	0.5
209.07918	0.5
215.13902	0.8
225.10153	0.6
225.12340	3.5
225.15884	0.7
226.10680	1.1
237.02789	0.4
242.03293	0.4
243.04291	1.4
243.10851	1.3
243.13402	15.4
243.18312	8.7
244.15462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.05515	1.4
56.05043	1.0
56.96575	0.9
57.03427	0.8
58.06604	0.9
67.05508	5.6
69.03438	1.9
69.07079	2.5
69.89046	3.0
70.06596	6.0
71.05005	0.9
72.08167	2.3
79.05505	4.6
80.05036	0.5
81.03438	0.8
81.07084	2.8
82.06588	0.7
84.04524	1.8
84.08160	8.9
85.02907	1.5
86.09711	4.4
88.04015	0.7
88.26727	0.7
91.05486	5.0
93.07053	3.3
94.02927	13.8
94.06567	1.0
95.04984	1.5
96.04514	1.6
97.02892	1.0
98.09698	28.5
98.20786	1.2
98.97617	0.9
99.04443	1.0
103.05485	1.0
105.07012	1.1
106.06577	6.1
107.04966	2.6
107.07360	1.5
108.08139	1.3
109.06538	1.8
109.10151	1.5
110.06036	1.7
110.07183	2.7
110.33703	0.6
111.04443	0.9
111.06827	0.9
111.10465	0.6
112.04009	2.8
112.07579	0.8
117.05792	1.1
118.00011	0.7
118.06554	6.7
119.04948	2.2
119.07365	1.3
120.04508	0.9
120.08097	5.4
121.06507	4.4
122.06029	1.8
122.09695	1.2
123.04421	1.1
123.08047	0.8
124.07605	2.2
126.05508	1.0
127.03937	0.8
127.06311	1.6
128.07095	0.7
129.10243	6.3
130.06526	1.5
133.05258	2.7
133.06259	0.6
134.06026	37.7
135.04445	2.4
135.06822	1.4
135.08034	1.0
136.07593	11.0
137.06020	2.4
137.08366	0.9
138.05542	0.7
138.09189	0.9
140.14351	19.6
146.06026	10.1
147.04401	1.6
147.06790	4.7
148.03897	0.7
148.07591	7.8
148.08748	0.9
149.05992	4.7
150.09152	11.8
151.06354	1.4
151.07578	1.6
152.07100	4.0
152.10692	1.3
156.07680	0.9
157.07664	1.1
158.15407	4.2
160.07573	0.9
161.04750	1.6
162.05516	4.3
162.09126	3.9
163.06329	4.1
164.07071	11.5
165.05476	1.1
166.08662	8.7
167.07071	0.7
168.10258	0.9
174.05585	3.4
176.07072	7.2
177.05464	0.8
178.07062	0.9
178.08636	22.3
179.05800	22.8
179.07050	1.1
179.09412	1.6
180.06610	2.1
180.10193	1.7
181.04941	0.7
182.08150	1.9
183.06448	0.6
184.98686	0.6
186.74707	0.7
192.06549	8.2
194.08139	100.0
195.06526	1.8
196.09686	4.2
206.08133	9.7
207.06619	0.9
209.06883	4.1
210.07625	1.8
212.09192	1.2
214.10716	1.0
224.09189	69.7
225.16039	0.6
242.10266	20.8
242.14017	1.0
242.17508	38.0
242.21144	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	241.2162
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
50.16153	1.8
55.01872	2.6
55.05513	30.6
57.03425	4.1
57.07079	14.2
58.06600	2.5
59.04993	3.8
65.03932	3.3
67.05509	31.6
69.03428	16.8
69.07071	50.9
70.06595	4.6
71.04657	2.6
71.04998	29.4
71.08629	2.6
71.51453	3.2
71.83334	1.5
79.05495	18.4
81.03439	2.1
81.07056	100.0
83.04998	10.4
83.08617	32.5
84.08146	14.0
85.02911	3.4
85.06544	44.1
87.04469	5.9
87.08092	1.8
91.05480	8.6
93.07047	38.4
95.04972	4.9
95.08611	89.4
97.02915	2.9
97.06527	10.5
97.10169	12.1
98.09698	7.8
98.97578	4.1
99.04448	4.4
99.08096	37.3
99.10056	2.0
101.06016	6.0
105.07017	6.9
107.04929	2.5
107.08597	35.2
109.06482	2.5
109.10163	58.7
110.07152	2.4
111.04468	2.4
111.08078	16.5
111.11719	3.8
113.09644	6.0
115.03901	6.5
116.98619	1.6
119.08577	7.4
120.08120	2.3
121.06507	5.9
121.10146	28.4
123.08080	4.4
123.11705	35.3
125.05943	2.2
125.09630	6.4
127.03919	2.5
127.11193	6.7
127.12294	1.8
129.05495	9.3
129.09166	9.1
129.10100	2.0
131.08559	5.4
133.10124	6.4
135.08080	2.1
135.11699	22.4
137.09665	2.2
137.13266	47.4
139.07562	8.2
139.11197	4.2
140.14322	2.5
141.06985	1.9
141.12744	5.8
141.14664	1.7
143.07034	4.6
143.08586	2.7
145.06430	2.0
145.10159	4.4
145.39072	1.8
147.11655	2.9
149.05965	3.6
149.09637	2.0
149.13266	27.7
151.11191	3.4
152.14314	4.5
153.12737	9.2
157.08630	7.3
157.10170	5.7
159.11687	8.5
163.14809	7.6
167.07080	2.3
167.14270	1.8
171.11662	5.6
177.12770	5.6
177.16385	2.8
180.86484	1.7
181.08537	4.2
183.11681	2.0
185.13304	3.6
187.14760	3.4
193.19530	4.5
195.11874	2.4
195.13803	11.9
199.11305	2.0
199.14836	2.9
205.12238	2.7
205.15901	2.1
205.19492	13.6
209.08183	2.1
211.20572	46.2
223.11371	2.9
223.13330	7.6
223.16949	2.7
223.20576	15.5
241.06828	2.0
241.12161	4.4
241.14174	30.3
241.19505	14.1
241.21658	48.0
242.21304	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	241.1799
Annotation	Phomapentenone A
Peak:m/z	Relative Intensity
53.00295	2.2
53.03950	2.6
55.05516	11.1
56.96558	3.4
57.03432	2.9
57.07073	4.1
67.05510	11.5
69.03429	12.0
69.07072	14.1
70.06581	1.7
71.04992	9.2
71.08633	98.2
71.18299	1.6
79.05499	27.3
81.07060	20.8
82.44963	1.6
83.04987	10.0
83.08596	8.7
84.08121	7.4
85.02915	2.4
85.06545	5.2
87.04460	4.3
91.05474	6.5
93.07037	27.6
95.04951	5.6
95.08611	15.0
97.06551	9.8
98.09693	3.8
98.97572	3.5
99.08096	100.0
99.09958	2.1
101.06022	2.7
105.03388	7.1
105.07030	6.7
107.04945	3.5
107.08595	20.1
109.06523	11.2
109.10129	6.1
111.08092	12.1
115.03935	3.9
115.07594	2.2
116.44234	1.8
116.98582	4.3
117.07015	5.7
117.09135	1.9
119.08548	7.0
121.06485	4.0
121.10145	11.6
123.08055	2.7
123.11704	2.5
125.09631	3.0
127.03952	2.1
127.11160	3.1
129.05455	6.5
129.07048	2.0
129.09114	6.6
131.08539	6.7
133.10118	6.0
135.08095	9.4
135.11673	6.6
137.09668	2.7
139.07535	3.9
139.11168	2.3
141.07027	2.2
143.07027	3.1
143.08566	3.0
145.10110	6.1
148.97690	2.6
149.09628	11.2
149.13269	4.6
151.11145	2.7
156.09186	1.8
157.08624	5.3
157.10115	4.5
159.11679	8.5
161.13268	1.8
163.03870	5.8
163.14853	4.1
164.62041	1.7
171.04750	1.7
171.11714	4.9
177.12750	4.8
177.16399	4.0
185.13286	5.9
187.14799	8.1
195.13763	6.6
205.15866	34.3
223.13379	3.6
223.16922	48.9
236.45139	1.6
241.08702	3.1
241.12077	2.5
241.14250	25.0
241.19867	14.6
242.21068	3.1
242.28542	2.0
259.27463	1.5
261.63483	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97486	1.0
53.03939	1.4
55.01860	3.7
55.05320	0.9
55.05513	10.3
56.96566	1.3
57.03430	2.4
57.07072	1.8
63.42846	1.3
67.05508	14.7
67.47638	0.9
69.03432	9.2
69.07071	12.6
70.06564	1.7
70.63876	2.9
71.04985	3.4
73.02900	2.0
79.05497	21.0
81.03394	3.0
81.06606	1.2
81.07057	21.6
83.04974	9.5
83.08620	11.2
84.08135	4.0
84.12739	0.9
85.02878	1.0
85.06541	6.3
85.66514	1.1
87.04460	3.4
91.05490	7.4
93.07048	33.6
93.07639	1.7
95.04961	6.9
95.08612	33.5
97.02885	3.4
97.06545	5.9
97.10170	1.3
98.09676	3.9
98.97563	4.8
99.04462	3.4
99.08081	2.7
99.10050	2.1
101.06013	3.2
103.05462	1.8
105.07021	8.0
107.04957	7.0
107.08604	20.9
109.06511	2.3
109.10143	3.7
111.04445	3.3
111.08088	8.6
113.06015	2.1
115.03902	1.4
116.24513	0.9
116.98601	1.8
117.07025	7.3
119.08572	8.6
121.06492	4.9
121.10157	13.6
123.08052	1.3
125.05981	3.1
127.12311	0.9
129.05446	4.8
129.09125	6.8
130.07777	1.3
131.08601	1.0
133.10114	4.5
134.99690	1.1
135.08107	2.1
135.11697	35.7
135.12723	1.8
139.07518	4.8
140.14203	1.1
143.07022	3.3
143.08569	1.4
145.09064	1.5
145.10126	19.0
147.11717	1.2
149.09570	1.1
150.50415	1.0
151.11165	2.8
151.15744	1.0
157.08606	4.6
157.10008	1.6
159.11664	2.7
163.11180	48.2
163.12549	2.4
171.11781	1.2
173.09662	1.7
177.12747	3.5
181.12233	13.0
185.09604	1.5
195.13806	4.3
199.14870	1.6
209.11707	3.3
223.13269	1.9
227.12785	100.0
241.12013	2.5
241.14241	21.3
241.19859	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	240.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05270	0.3
55.05515	3.4
58.06609	0.5
67.05512	4.7
68.05022	0.2
69.07069	0.6
69.12106	0.2
70.02915	0.6
70.06212	0.3
70.06598	6.2
72.08169	0.3
76.31692	0.2
81.07072	0.8
81.35203	0.2
83.04981	4.6
83.07370	0.2
83.08654	0.2
84.08147	2.9
95.38651	0.2
96.08137	0.3
97.08910	0.4
98.09702	100.0
99.10033	0.4
101.06028	0.6
109.10172	1.4
111.10498	1.1
112.11255	1.2
140.14352	43.7
158.15398	0.4
240.19598	76.5
241.19971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11565	0.4
55.05511	4.8
58.06591	0.5
64.45322	0.4
67.05504	5.7
68.09406	0.4
69.07079	0.6
69.15622	2.3
69.16042	2.2
70.06592	5.0
81.07040	1.1
82.54276	0.4
83.04977	14.7
84.08141	3.0
98.09692	100.0
99.10037	0.5
109.10152	1.8
111.10442	0.9
112.11247	1.1
126.21508	0.4
138.12012	0.4
140.14340	45.6
158.15411	3.8
218.85886	0.5
240.19585	89.7
241.19952	0.8
252.32770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12776	0.3
55.05505	1.5
56.05013	0.6
56.96554	0.8
57.03432	0.5
57.19197	0.3
62.50394	0.3
65.28455	0.3
67.05482	1.0
69.03407	1.1
69.06799	0.2
69.07068	2.7
70.06606	1.8
70.48434	0.7
70.48798	0.4
72.04488	1.0
72.08148	0.5
73.02891	0.9
74.06069	0.7
74.91512	0.3
79.05468	0.6
81.07050	1.5
82.06589	0.5
83.04939	0.4
84.04478	0.8
84.08160	2.5
85.02893	0.9
86.09672	1.3
86.10152	0.3
86.50565	0.3
91.05497	2.7
93.07052	1.6
94.06548	0.5
95.07342	0.3
95.08603	1.1
96.08160	0.6
97.02869	1.0
97.72644	0.3
98.06029	0.4
98.09681	0.9
98.97578	2.8
99.04416	0.3
100.07600	0.6
105.03345	0.3
105.07019	0.5
106.06506	0.4
107.08552	0.8
107.51502	0.3
108.08090	1.1
109.02778	0.3
109.06520	0.3
110.06034	0.3
110.07167	0.7
110.97564	1.1
112.07575	0.7
114.09178	0.3
115.03913	0.3
116.98618	0.8
117.98033	0.3
119.01795	0.6
119.08661	0.3
120.08087	1.3
121.06509	0.7
121.10172	0.4
122.09641	1.0
124.07588	4.0
124.08418	0.6
126.09144	0.6
128.02356	0.7
128.98575	0.4
129.10223	1.2
133.10126	0.3
134.06021	0.5
135.11697	0.8
136.11195	1.6
137.13336	0.6
138.09111	1.4
139.09920	1.0
140.07120	0.4
140.10674	1.0
142.12277	2.6
145.01549	0.3
146.02296	0.3
148.07526	0.5
150.09117	0.3
150.12772	1.3
151.13567	0.7
152.07042	0.8
152.10690	2.5
152.14349	0.5
153.11432	0.6
154.12277	3.1
158.99667	0.9
160.10036	0.3
166.12267	3.2
167.13084	1.9
168.13818	1.3
169.03342	0.4
170.08165	0.3
170.99687	0.7
174.07263	1.4
176.03371	5.6
176.07030	0.3
177.00740	0.6
178.15901	0.5
183.07742	1.0
185.03889	3.1
189.00716	0.3
190.08719	0.4
194.08145	0.6
194.15474	2.2
194.58582	0.3
196.16971	100.0
197.17278	0.5
198.18535	0.8
204.10202	0.3
208.06082	0.4
218.93932	0.3
222.11290	0.3
240.08893	3.5
240.12471	1.0
240.19591	61.7
241.19974	0.5
249.02866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01868	0.7
55.05516	2.9
56.05037	1.1
57.03439	0.4
57.07087	0.3
58.06585	0.6
58.88309	0.2
59.46570	0.2
61.57944	0.2
62.06103	0.3
65.03928	0.4
67.01867	1.5
67.05504	2.2
68.05024	0.7
68.99802	0.3
69.03436	0.7
69.04588	0.2
69.07074	1.8
70.02956	1.0
70.06594	1.5
71.05006	0.9
71.51648	0.3
72.04510	5.0
74.06083	4.3
75.16750	0.2
78.92680	0.2
79.05486	1.8
80.05016	0.8
81.07053	2.8
82.03001	0.3
82.06577	2.1
82.07381	0.5
83.04979	0.8
83.08646	0.6
84.08138	2.0
85.02928	0.5
85.06531	0.5
86.06072	1.0
86.09729	0.3
91.05477	6.0
93.05801	0.7
93.07041	3.9
94.06573	2.4
95.01281	0.2
95.04967	1.0
95.08613	3.5
96.04478	0.6
96.08136	1.7
96.08936	0.7
97.06535	0.9
97.08920	1.9
98.06055	0.8
98.09696	8.8
98.97595	0.3
99.04455	0.5
99.08099	0.4
100.07625	0.5
103.05463	0.6
105.03391	0.5
105.04505	0.3
105.07030	2.3
106.06589	0.4
106.07338	0.4
107.04957	0.7
107.07355	0.3
107.08605	1.1
108.04482	0.7
108.08121	1.6
108.08896	0.6
109.06501	1.3
109.10191	0.5
110.06037	0.9
110.09685	0.4
111.08092	0.7
112.07609	3.0
112.11233	0.4
114.05535	6.4
115.05439	1.5
117.07021	7.5
118.04232	0.3
118.06545	0.4
119.07333	0.7
119.08588	5.4
120.04468	1.6
120.08098	0.9
120.08900	0.5
121.05263	0.4
121.06490	1.1
121.10136	0.5
122.02370	0.7
122.06033	1.0
122.09687	1.8
122.10442	0.4
123.04410	0.6
123.08060	1.7
123.11704	0.7
124.03949	0.4
124.07593	1.8
124.11227	0.4
125.09728	0.3
125.10813	0.3
126.05463	0.3
126.09147	2.1
128.07047	0.6
129.06996	0.5
129.10237	0.4
131.07341	0.5
131.08589	0.3
132.05695	0.3
132.08110	0.4
133.05252	0.4
133.06490	0.4
134.06020	1.1
134.09654	4.7
135.08072	0.4
135.26324	0.2
136.03949	0.6
136.07570	2.2
136.11211	2.9
136.12128	0.2
137.06065	0.3
137.08447	0.4
137.09576	0.7
138.05504	2.1
138.09123	0.8
138.12784	0.7
139.09932	0.3
140.03371	0.3
140.10707	2.9
140.14355	3.6
142.08611	0.4
142.12216	0.5
144.08083	0.8
145.06482	2.7
146.06013	0.3
146.07161	0.4
146.09641	0.3
147.06790	1.6
147.08064	2.1
148.03915	2.7
148.07584	0.7
148.12054	0.3
149.09619	13.0
150.05479	0.5
150.09137	1.7
151.11092	0.4
152.07048	0.4
152.10710	0.4
153.07919	0.5
154.04999	0.3
154.08614	2.7
154.12282	1.2
156.13841	2.0
162.05463	0.3
162.09146	10.8
162.13556	0.3
163.07516	0.9
164.10716	1.5
166.05052	1.1
166.08549	0.3
166.12277	10.0
168.10205	3.2
168.13843	0.3
170.08138	0.8
173.05983	3.1
176.04840	0.2
177.05470	2.3
177.09084	1.7
178.08621	0.7
180.06572	0.4
180.10167	2.2
181.08701	0.3
182.11726	1.6
182.15436	0.5
184.13332	90.4
185.13615	0.3
190.08635	14.3
191.07071	0.4
194.11803	0.8
194.15572	0.3
196.13425	0.4
204.18326	0.3
205.08601	10.5
205.13277	0.3
208.09688	31.9
210.11269	1.1
212.10896	0.3
222.11238	5.1
222.15602	0.3
237.99974	0.2
239.68858	0.4
240.15939	100.0
240.19415	7.4
241.14085	0.3
241.16315	0.6
241.19690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1597
Annotation	Isoetharine
Peak:m/z	Relative Intensity
52.12133	0.5
52.17743	0.5
53.03918	0.6
54.03456	0.7
55.01885	0.9
55.05513	4.6
56.05044	6.3
57.03426	0.5
57.07074	1.3
58.06590	0.9
65.03947	0.5
67.05512	3.9
68.05020	1.4
69.03433	3.9
69.07070	5.6
69.61530	1.2
69.61933	2.5
70.06600	5.8
71.04990	0.9
72.08152	3.5
73.00060	0.5
74.02444	5.7
79.05490	2.6
80.05015	0.5
81.07063	7.1
82.06581	4.9
83.04993	7.1
83.08617	1.5
84.04523	1.2
84.08151	18.1
85.02882	0.6
85.06548	3.7
86.09723	3.3
91.05498	3.3
93.07050	13.0
94.06602	1.4
95.04957	2.3
95.08614	5.4
96.04526	0.7
96.08142	9.6
96.89952	0.5
97.02898	1.0
97.06534	1.8
98.06029	0.7
98.09695	2.4
99.08105	4.0
100.03986	4.7
100.07572	0.6
103.05454	1.2
105.07040	2.1
106.06579	1.1
107.04969	0.9
107.08601	6.5
108.08125	1.1
109.06525	2.3
109.10143	1.8
110.06041	1.3
110.07191	1.0
110.09689	22.5
111.04446	1.4
111.08067	1.0
112.08675	1.0
112.11234	0.7
114.05535	1.0
117.07024	1.1
119.04967	3.5
119.08591	2.9
120.08132	7.6
121.02983	0.5
121.06527	3.7
121.10161	3.5
122.09710	0.7
123.08120	1.4
123.11707	1.5
124.07602	1.6
125.05988	2.4
127.03893	0.7
128.07065	1.7
128.79474	0.5
129.10255	3.6
131.08626	1.3
133.10117	4.4
134.06001	1.9
134.09673	0.8
135.08043	1.3
135.11714	5.8
136.11218	7.7
137.05946	0.7
138.09135	3.1
139.03944	1.1
139.07550	2.5
140.07069	1.0
140.14313	0.7
142.07587	1.0
142.08643	13.5
147.04404	2.1
147.95419	0.5
148.07468	0.7
149.05986	1.8
149.09662	0.7
149.13261	3.8
150.09111	0.9
151.11198	21.3
152.07051	2.5
156.08998	1.1
156.10208	15.1
159.11707	8.6
161.13307	0.7
165.09117	0.6
166.08623	1.8
176.14319	2.5
177.12758	16.0
180.10219	1.1
182.11787	39.6
184.09695	3.3
187.11145	0.8
194.08174	1.2
194.11783	1.4
194.15422	32.5
196.13171	0.8
197.08189	0.7
197.10315	1.4
205.12202	6.9
205.13646	0.6
208.05966	0.7
214.13063	1.2
222.07588	1.1
222.11459	1.0
222.14854	9.1
223.13321	5.2
237.26411	0.5
240.06476	1.2
240.08737	3.2
240.15955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.237
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.03933	0.6
55.05234	0.5
55.05513	16.3
57.07078	100.0
65.03943	0.5
65.21130	0.4
67.05509	36.1
69.07071	20.8
69.34206	1.5
69.34612	1.4
71.04979	0.6
71.08635	62.5
79.05497	2.8
81.07059	40.0
83.08621	23.1
85.06552	2.4
85.10187	31.2
89.06037	1.9
91.05474	1.3
93.07045	2.4
95.08612	59.0
97.10178	9.7
99.04469	2.5
99.08105	0.8
99.11731	1.2
105.07027	0.8
107.08588	1.0
109.10160	22.3
111.11721	1.7
119.08588	0.9
121.10159	0.5
123.11697	7.4
125.13264	0.6
131.00031	5.1
131.08527	0.5
133.10129	0.5
137.13264	2.0
147.11681	0.5
151.14807	0.9
154.01617	2.1
155.08551	0.8
165.16367	0.7
169.10127	0.7
171.11685	0.5
172.02704	0.6
179.10631	0.4
181.09998	0.4
183.11671	2.3
195.11693	0.5
197.13255	1.5
216.01675	0.8
221.22685	0.6
239.08865	2.5
239.14389	1.0
239.18013	4.3
239.23622	1.8
240.19536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78769	0.5
53.03953	0.6
67.05495	0.9
68.53906	0.5
70.06590	0.8
70.49406	1.7
71.04992	1.6
76.47771	0.5
81.07047	1.0
82.06574	0.7
83.04964	0.7
83.38441	0.6
84.08134	0.5
91.05481	1.5
93.07044	2.1
94.02917	0.7
94.06585	1.0
95.08609	1.0
95.30392	0.6
96.04460	0.9
96.08994	0.5
98.09691	4.7
99.04459	10.8
105.07027	3.6
106.06541	0.8
107.07343	4.0
107.08565	0.9
108.08152	0.8
109.06505	0.9
110.06047	8.1
111.06834	1.1
117.07112	0.6
118.06556	13.7
119.07346	3.4
120.04501	1.8
120.08101	3.1
121.06505	0.7
122.09654	1.5
123.08073	2.4
124.07631	1.0
126.05519	5.4
127.06283	1.2
130.06509	0.6
131.07378	0.8
132.04416	0.8
133.06505	1.3
134.06009	0.7
134.09694	1.3
135.06786	5.3
136.07579	3.8
137.09598	0.7
140.14348	2.3
141.07872	1.2
142.08641	13.8
146.06021	2.2
147.06786	9.8
148.07597	3.1
149.05899	0.8
150.09143	100.0
151.09932	1.4
152.10712	2.0
162.09138	25.8
162.10493	1.2
164.07013	0.7
164.10715	2.1
175.06288	0.8
176.07083	0.6
178.08644	24.3
180.10162	3.8
190.08632	3.1
192.06566	3.3
194.11798	5.0
207.08896	5.3
208.09657	8.3
210.11258	60.8
222.11256	29.0
240.12309	29.3
240.19507	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03942	1.1
55.01873	1.9
55.05518	11.9
57.03431	2.5
57.07072	3.1
59.05006	1.5
65.03940	1.3
65.46600	0.9
67.05508	29.0
69.03428	1.4
69.07069	16.8
70.06617	1.4
70.77190	2.5
71.05002	8.4
79.05501	11.1
81.07066	38.7
83.04990	4.9
83.08612	5.7
84.08147	2.2
85.02904	1.8
85.06549	47.7
89.06065	4.7
91.05489	7.1
93.07052	27.5
95.04980	2.6
95.08614	100.0
97.06533	9.6
97.10179	4.3
98.09721	1.4
99.04455	4.2
99.08102	13.1
102.59584	0.9
105.03391	1.1
105.07040	21.3
107.04980	1.1
107.08605	34.3
109.02857	1.5
109.06526	2.4
109.10161	36.7
111.04385	1.1
111.08125	4.6
113.09667	6.7
115.07584	1.0
119.08591	30.2
121.10152	53.1
123.11713	13.9
125.09612	3.3
127.11191	7.5
131.08534	1.3
133.10143	14.3
135.08124	1.2
135.11691	9.5
137.09608	3.1
137.13255	3.6
139.11185	5.3
143.08511	1.1
145.10156	1.3
147.11700	18.8
149.09636	1.4
149.13278	2.8
151.11157	2.1
151.14804	1.1
155.08510	1.2
159.11708	1.9
161.09604	1.5
161.13283	9.6
163.14830	17.0
165.12772	3.6
169.10143	1.4
175.11118	1.0
175.14865	6.1
177.16382	9.6
179.10625	2.7
181.15891	3.4
183.11702	1.6
189.12653	1.2
192.91052	1.3
193.15958	0.9
197.13286	1.8
203.17982	35.0
207.10213	2.0
221.11702	1.6
221.15384	1.8
221.19006	13.9
238.17970	1.1
238.68213	1.9
239.08820	10.9
239.10603	1.5
239.12636	1.3
239.14548	1.5
239.17950	4.9
239.20326	8.1
240.19589	2.6
247.12662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03938	1.7
55.05515	33.8
57.03439	2.7
57.07077	16.6
59.04712	1.6
59.05005	29.4
67.05513	17.5
67.20615	1.2
69.03451	2.8
69.07071	44.6
70.09547	6.4
71.05000	6.9
71.08622	4.9
73.06551	1.6
79.05492	11.2
81.07059	87.3
83.04979	3.6
83.08621	28.5
84.08149	2.2
85.06540	7.5
87.04485	2.3
89.06034	3.2
91.05487	8.2
93.07047	27.6
95.04960	1.8
95.08611	100.0
97.06532	10.8
97.10172	21.9
99.04460	13.3
99.08082	3.6
101.05979	1.7
105.07031	15.2
107.07876	2.4
107.08600	38.4
109.06510	3.8
109.10161	47.3
111.08080	11.1
111.11729	22.5
113.09641	2.9
115.07576	6.3
115.50058	1.3
117.06950	1.4
119.08592	23.8
121.10152	33.5
122.63303	1.3
123.08058	4.2
123.10835	2.7
123.11719	40.2
125.09630	11.1
127.11134	1.6
129.09079	2.3
129.70067	1.1
133.10146	28.9
135.10701	2.2
135.11703	34.4
137.09607	3.9
137.13264	83.2
139.11197	28.4
143.10637	11.2
147.08017	2.0
147.11703	28.6
149.09576	4.2
149.13268	18.3
151.11192	9.0
151.14833	2.4
153.12798	3.1
157.12289	6.2
161.13254	15.3
163.14832	39.3
165.12761	7.8
169.12294	2.6
175.14832	6.2
177.16335	8.3
179.10713	1.6
179.17859	1.4
189.12758	1.3
193.19496	9.7
197.11911	1.3
203.17969	68.0
218.49800	1.3
221.15500	3.0
221.19016	76.0
231.55414	1.4
239.08917	8.6
239.18181	2.7
239.20081	47.0
240.19646	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	239.2008
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.85803	0.9
53.03944	3.2
55.01872	1.7
55.05518	13.4
56.96569	1.6
57.03433	1.8
57.07081	7.4
59.04996	4.7
62.78913	0.9
64.34385	0.9
65.03936	1.6
65.05845	0.9
67.05503	14.5
69.03423	1.7
69.07070	24.1
70.06590	2.4
70.70329	0.9
70.70670	1.5
71.04996	16.5
71.08629	0.8
72.21059	0.8
73.06544	1.2
79.05495	30.0
80.53459	0.8
81.03418	1.3
81.07059	100.0
81.45287	0.8
83.04965	2.7
83.08618	8.1
84.08129	3.2
84.37096	0.8
85.02914	2.7
85.06547	14.5
89.06031	3.3
91.05470	8.8
93.07047	29.9
95.04949	3.8
95.08613	44.5
97.06538	10.9
97.10181	5.8
98.09690	2.3
99.04455	20.8
99.08095	10.9
101.05998	3.4
101.16051	0.8
105.03369	1.2
105.07030	17.2
106.07398	0.9
107.08600	36.7
109.02867	1.7
109.06528	3.6
109.10160	35.1
111.08103	4.8
111.11714	3.7
111.87148	0.8
113.06020	1.2
113.09627	2.1
115.05486	0.9
117.07036	1.7
119.08583	18.5
121.06524	2.5
121.10149	14.5
123.08100	4.2
123.11716	27.4
125.09618	3.7
127.11206	5.9
129.06987	1.0
129.10208	1.1
131.08571	2.1
133.08618	1.3
133.10136	20.1
135.11700	49.8
137.05981	1.5
137.09590	3.7
137.13249	11.3
139.11162	3.8
141.12740	4.5
143.08519	1.7
143.10635	1.1
145.10132	1.9
147.08057	4.0
147.11707	13.2
149.09618	2.5
149.13248	3.2
151.11198	3.0
151.14810	1.8
153.12753	41.4
155.08586	1.1
157.10153	2.6
157.12238	1.3
161.09628	2.3
161.13252	5.8
163.11211	1.4
163.14862	5.0
165.12727	3.3
169.10147	2.3
175.11185	1.5
175.14841	2.3
177.16417	6.4
179.10710	2.0
183.11658	3.5
189.12721	3.6
191.17947	4.6
193.19482	0.9
195.11749	1.5
195.17424	0.9
197.13318	2.4
203.14325	1.4
203.17940	19.7
209.18962	2.4
221.11694	2.1
221.15665	4.1
221.19037	16.9
238.17946	1.2
238.68156	2.5
239.08861	16.3
239.12737	2.6
239.16345	6.1
239.18176	6.0
239.20334	12.4
240.16077	1.5
240.19675	2.6
254.15306	1.0
254.21811	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03941	3.0
55.01871	3.3
55.05513	36.4
57.03430	4.8
57.07078	26.9
59.05003	29.1
65.03940	3.0
67.02425	1.8
67.05503	30.5
69.03429	3.9
69.07070	43.3
69.79086	2.8
69.79496	6.4
70.06570	3.1
71.04994	10.5
71.08625	5.6
73.06545	2.4
79.05497	17.2
81.03430	3.0
81.07059	91.1
83.04977	20.4
83.08627	27.4
84.08145	6.1
85.02900	4.5
85.06555	11.2
87.04473	2.2
89.06020	5.8
91.05492	13.6
93.07048	32.7
95.04963	9.5
95.08611	100.0
96.08169	1.7
97.02869	3.1
97.06527	30.7
97.10178	15.4
98.09684	2.2
98.20827	2.3
99.04450	15.2
99.08095	6.1
105.03445	2.0
105.07034	26.0
107.04938	2.4
107.08594	50.2
107.09315	3.0
109.02904	2.1
109.06528	8.0
109.10159	56.3
111.04459	3.9
111.08081	10.8
111.11707	12.2
113.06013	2.2
113.09650	2.7
115.05434	1.9
115.07571	5.2
117.07051	3.9
119.08582	36.0
120.08114	2.1
121.06524	3.0
121.10149	35.1
123.08028	8.5
123.11709	34.6
125.09642	13.0
127.11175	2.6
131.08577	8.7
133.06526	3.3
133.08615	3.6
133.10135	46.8
133.11102	3.1
135.08086	2.3
135.11684	40.7
137.06001	2.2
137.09630	6.7
137.13268	65.0
139.11182	19.1
141.09097	3.1
143.08562	4.1
143.10672	8.0
145.10190	2.5
147.08058	6.0
147.11681	28.9
149.09607	4.6
149.13258	13.8
151.11163	15.5
151.14896	4.5
153.12733	7.5
155.08517	3.3
157.10147	5.6
157.12259	4.3
159.11705	8.7
161.09659	2.7
161.13271	16.0
163.07455	1.8
163.11180	2.6
163.14824	29.1
165.12730	8.7
169.10121	4.3
169.12248	2.6
175.11107	2.7
175.14880	5.3
177.16429	9.2
179.14316	3.8
179.17944	2.0
181.10208	2.0
183.11720	4.5
185.13275	5.4
189.12659	2.0
191.14278	2.4
192.91162	3.0
193.19528	7.0
195.13828	4.6
197.13268	3.7
203.14386	10.8
203.17961	59.8
210.92221	3.0
210.94034	1.7
221.09634	2.5
221.11781	4.1
221.15543	15.6
221.19000	67.5
238.17978	2.8
238.68323	4.9
239.08885	32.2
239.10652	2.2
239.14268	4.7
239.16380	9.1
239.18199	6.8
239.20207	31.5
240.19640	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05511	38.6
57.03446	4.6
57.07069	25.6
58.69000	2.3
59.05001	29.7
59.24856	1.9
67.05503	21.6
69.03409	2.2
69.07066	48.0
69.51743	5.7
69.52154	8.4
71.04980	9.2
71.08617	3.6
73.06523	2.4
79.05505	12.7
81.07055	92.4
81.07535	4.6
83.04970	2.9
83.08624	32.1
85.02917	2.6
85.06532	6.3
91.05458	9.6
93.07045	34.1
93.88912	1.9
95.08606	100.0
97.06541	13.3
97.10172	23.8
99.08076	5.7
105.07037	50.6
106.07362	29.1
107.08598	53.4
109.06504	2.4
109.10152	55.1
111.08080	9.4
111.11712	22.3
113.09609	3.3
113.93405	2.0
115.07563	8.2
119.07816	2.7
119.08592	29.7
121.10151	36.3
123.08034	3.7
123.11701	49.8
125.09614	14.0
127.11196	3.4
133.10132	34.8
135.11693	64.1
137.09622	5.8
137.13255	84.9
139.11194	23.4
143.10689	17.3
147.11693	37.3
149.13261	21.5
151.11174	14.5
151.14745	2.4
157.12253	9.2
161.13252	18.7
163.14813	40.8
165.12801	8.6
175.14824	7.1
177.16409	8.8
180.65248	2.4
193.19504	10.4
200.99130	2.2
203.17966	80.8
221.18997	87.2
239.16293	33.9
239.20062	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.96369	1.7
53.03949	3.0
55.05517	13.9
56.96557	2.7
57.07076	4.8
59.04999	3.9
59.32937	1.6
61.18965	1.7
62.47775	1.6
67.05508	23.8
69.07075	56.8
69.98981	8.2
71.05003	8.0
71.08634	3.5
79.05506	18.9
81.07062	76.7
83.04977	3.3
83.08625	9.5
85.06540	6.2
89.06039	7.8
91.05483	16.0
93.07053	55.6
95.08614	89.2
97.06543	34.8
97.10191	7.2
99.04457	6.6
99.08084	4.3
105.03368	2.6
105.07037	40.2
105.07652	1.4
107.08600	84.2
109.06533	7.2
109.10162	45.8
111.08105	5.4
111.11738	2.8
113.09651	4.2
119.08583	38.3
121.10152	63.3
123.08063	4.5
123.11722	13.5
125.09627	17.2
129.07162	2.0
131.08562	2.5
133.10135	26.5
135.11705	25.3
137.09608	7.4
137.13254	4.4
139.11212	17.8
147.11703	45.5
149.13252	5.5
151.11189	8.6
151.14861	3.3
153.12735	4.7
154.79404	1.7
155.08604	2.8
155.10654	7.2
161.13268	15.1
163.14856	23.1
165.12779	21.2
169.10161	4.7
169.15807	2.3
171.11726	4.2
175.14888	11.6
177.16402	100.0
181.15865	4.9
183.11713	6.4
183.13715	2.7
185.91219	1.7
191.17903	3.3
197.13275	4.3
203.17961	59.0
220.64719	1.6
221.19020	51.2
221.21085	3.7
239.08893	13.5
239.17961	15.1
239.20100	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2008
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05515	38.1
57.03428	3.9
57.07079	15.7
59.05015	23.2
59.16719	2.5
61.19540	2.1
67.05506	22.6
69.07070	37.2
70.07711	11.0
71.04980	9.8
71.08636	3.7
75.77649	2.5
77.48269	2.9
79.05473	11.5
81.06592	5.2
81.07059	83.9
83.04974	3.3
83.08611	22.9
85.02923	3.3
85.06541	6.0
89.06039	3.1
91.05484	6.6
93.07043	29.9
95.04953	5.1
95.08613	100.0
97.06540	15.2
97.10184	16.2
99.04386	2.3
99.08102	5.0
105.07048	18.7
107.08597	42.4
109.06535	4.6
109.10163	50.4
111.08085	9.1
111.11733	19.4
115.07605	5.2
119.08596	30.1
121.10139	33.0
123.08062	5.7
123.11710	37.4
125.09634	13.0
129.09119	3.6
133.10126	30.4
135.11707	45.0
137.09622	3.8
137.13258	77.3
139.11183	21.4
143.10684	12.2
143.13986	2.3
147.11676	30.9
149.09653	3.5
149.13251	16.6
151.11165	13.2
153.12796	3.0
157.12233	7.8
159.11891	2.5
161.13289	16.6
163.14842	32.3
165.09071	3.1
165.12744	7.0
175.14891	4.8
177.16386	10.1
193.19531	9.3
203.17960	65.9
221.18996	74.5
231.69734	2.3
239.08806	4.5
239.20155	40.8
240.19588	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	239.1643
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
53.03940	3.8
55.01866	8.9
55.05510	15.3
57.03440	4.9
57.07078	5.6
59.04994	6.5
65.03958	2.3
67.05508	34.6
69.03424	6.0
69.07070	100.0
70.06590	9.9
71.04991	11.8
71.08624	3.4
71.51612	2.4
72.08138	2.3
79.05499	32.4
79.63645	2.0
81.07055	63.7
83.04969	6.9
83.08613	12.8
84.08141	10.2
85.02895	8.0
85.06541	13.5
86.09709	3.6
89.06013	9.1
91.05474	14.9
93.07049	28.0
95.04977	11.1
95.08608	66.8
97.06536	26.9
97.10177	5.3
99.04453	30.8
99.08096	6.3
105.03376	5.5
105.07030	56.1
106.07327	11.2
107.04960	5.4
107.08578	33.2
109.06524	17.8
109.10162	20.3
111.04395	3.1
111.08067	5.7
113.05992	3.9
113.09650	5.1
115.07578	3.0
117.07042	4.8
117.95851	2.0
118.31363	2.1
119.08574	21.3
120.08110	2.6
121.06498	6.6
121.10144	17.6
123.08073	82.1
123.11702	8.4
125.09628	15.6
127.07520	2.8
129.07036	2.8
131.08607	4.6
133.06480	6.5
133.08658	2.8
133.10150	13.4
135.08025	7.6
135.11693	6.5
137.05989	8.0
137.09631	12.3
137.13245	2.4
139.07561	2.6
139.11252	3.4
143.08553	5.1
145.10117	7.4
147.08002	10.1
147.11728	9.9
149.09633	7.8
151.07545	25.9
151.11191	4.2
155.08551	4.9
155.10730	2.6
157.10141	7.1
159.11649	5.1
161.09592	8.9
161.13300	10.4
163.11171	4.3
163.14836	2.8
165.06857	3.1
165.09128	6.9
169.10123	6.9
175.11186	3.9
175.14795	7.5
179.10658	8.2
179.14325	3.7
182.10846	2.7
183.11726	14.1
185.13326	12.4
189.12746	7.6
193.12135	2.1
193.15884	3.8
195.13824	2.6
197.11713	2.5
197.13266	9.8
203.14253	16.4
203.17940	7.1
211.14862	3.6
211.16823	3.2
220.16951	2.4
221.11769	5.5
221.15367	38.6
221.18983	4.0
238.68158	7.7
239.08865	33.5
239.10776	4.0
239.14165	2.7
239.16377	36.4
239.18361	16.5
240.19618	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	239.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01820	0.3
55.05513	3.9
55.05763	0.5
55.42994	0.3
56.05011	0.5
57.03406	0.5
57.07043	0.7
58.06567	0.4
58.99544	0.2
60.04504	0.4
60.05620	0.4
61.01111	0.3
63.03241	0.2
63.95541	0.3
65.03901	0.5
66.95231	0.3
67.05507	16.9
67.73016	0.3
69.03383	0.4
69.07031	0.9
69.22921	0.2
70.06598	6.6
70.73430	0.6
70.73756	0.4
71.05001	1.4
71.06897	0.4
72.08157	3.9
73.06518	0.3
74.06039	0.4
77.00632	5.4
79.05454	0.9
81.07053	3.3
82.06552	0.4
83.01332	0.4
83.04945	0.5
83.08598	0.4
84.04497	0.6
84.08152	6.9
85.02928	0.6
85.06518	0.5
85.08475	0.4
86.09708	3.1
89.06041	2.5
91.05466	1.3
93.07030	0.6
95.01658	0.4
95.04955	0.7
95.06042	0.4
95.08620	1.7
95.74318	0.3
96.08150	0.3
97.06518	0.5
98.06023	0.4
98.09679	1.1
99.08056	0.3
99.10011	0.3
100.08942	0.3
101.10757	0.3
103.05472	0.4
105.03368	0.7
105.07020	1.0
106.06544	0.8
107.04934	0.6
107.08579	1.0
108.08111	0.4
109.06525	0.8
109.10161	10.5
110.06030	0.6
110.07041	0.3
112.08719	0.5
115.08728	0.4
117.93143	0.3
118.06532	0.7
119.04918	0.4
119.08570	0.4
120.08113	2.5
121.02847	0.3
121.06577	0.5
121.08475	0.6
123.04488	0.4
123.05441	0.4
123.08088	0.4
123.11755	0.4
124.11251	0.3
127.08764	0.3
127.11157	0.4
129.05536	0.4
129.10234	3.0
133.06516	0.5
133.08569	0.8
133.10132	0.7
134.06018	100.0
135.06479	0.4
135.07962	0.3
136.07584	5.3
137.05949	1.1
138.05492	0.3
138.06500	0.6
140.10684	0.4
141.06580	0.8
145.06456	0.4
146.03264	0.3
147.04410	0.7
147.07921	0.3
148.03920	0.3
149.06303	3.1
149.07942	0.6
149.09631	0.5
151.04161	0.8
152.10588	0.4
155.08273	0.3
162.05510	36.1
165.05466	0.5
175.07526	0.3
175.11238	0.5
175.13211	0.4
176.11646	0.3
178.05919	0.4
179.03418	0.5
179.08141	6.5
179.10620	0.6
180.06558	12.3
183.02911	0.6
190.04980	2.2
193.08577	0.6
193.14253	0.5
194.08127	8.1
196.13466	0.8
197.04562	0.4
197.10289	1.6
203.10997	2.2
207.07657	29.3
207.18642	1.2
208.06065	5.4
208.07932	0.4
212.09190	3.6
212.11017	0.3
215.63387	0.4
221.10001	0.4
221.12010	6.4
222.07596	4.0
222.11823	0.3
239.10451	20.3
239.13177	2.2
239.14981	0.7
239.17694	1.4
239.21364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1592
Annotation	N-Methyl-(R,S)-tetrahydrobenzylisoquinoline
Peak:m/z	Relative Intensity
53.03944	0.8
55.05495	0.4
60.86579	0.2
67.05489	0.3
69.07068	0.4
70.37585	0.6
74.35636	0.2
77.03918	0.4
79.05496	5.9
79.46154	0.2
81.07059	1.2
85.02920	0.4
91.05460	0.2
91.86483	0.2
93.07049	0.4
93.35439	0.2
95.04982	0.8
95.08615	1.0
97.10152	0.2
98.09674	0.2
103.05460	3.9
105.07031	100.0
106.07362	0.5
107.08587	0.8
109.10148	0.5
110.09637	0.2
110.83537	0.2
118.06573	0.3
119.08561	0.3
121.10111	0.3
123.11705	0.5
133.10165	0.5
134.09651	2.7
135.11720	0.6
137.13271	1.0
138.96272	0.2
147.11624	0.3
157.91187	0.2
163.14752	0.3
166.61449	0.2
168.38824	0.2
177.11011	0.2
184.54448	0.2
203.17972	0.6
221.19058	0.6
226.49847	0.2
238.15903	63.7
239.16260	0.4
239.20230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1803
Annotation	Piroctone
Peak:m/z	Relative Intensity
55.05526	9.8
56.96562	10.2
57.07074	6.0
67.05503	15.5
69.03418	7.5
69.07066	12.6
69.94479	5.8
70.06599	11.2
70.18285	5.4
71.51504	7.0
71.51919	7.8
79.05506	6.5
80.91945	6.4
81.07048	11.2
83.08641	5.9
84.08144	17.2
93.07050	11.9
95.04982	6.5
95.08601	14.9
98.09703	18.7
105.07051	22.8
107.08585	11.0
108.08157	7.4
110.07161	6.1
112.76087	6.0
119.08617	11.0
120.08875	6.4
120.69481	5.7
121.06521	6.0
122.09671	6.3
124.23505	6.3
135.11624	7.0
137.06030	7.5
140.14381	15.2
146.09470	6.2
147.08049	7.6
152.83353	6.5
178.04959	8.0
192.06575	9.9
220.17081	18.4
221.03102	6.3
238.12070	18.9
238.14781	10.0
238.15547	7.9
238.18056	100.0
239.08752	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	237.1849
Annotation	[R-(R*,S*)]-6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one
Peak:m/z	Relative Intensity
50.48795	0.7
51.63057	0.7
53.03944	1.3
55.01873	1.3
55.05514	5.5
57.07065	2.7
57.80535	0.7
64.05889	0.6
64.87135	0.8
65.03946	1.1
67.05507	40.5
69.07069	4.8
71.05001	1.1
71.51683	0.8
79.05494	11.9
81.07058	100.0
83.04993	1.9
83.08649	2.2
85.06558	1.1
91.05489	2.4
93.07046	9.0
95.04980	1.7
95.08607	68.8
97.06548	1.8
97.10174	1.5
105.07037	2.6
107.08595	6.0
109.06525	1.6
109.10159	27.0
111.04418	1.2
111.08105	1.2
117.07006	0.9
119.08589	4.0
121.10143	7.8
123.08060	1.7
123.11694	6.8
131.08565	3.0
133.10147	2.2
135.08038	1.6
135.11719	7.1
137.09628	2.7
137.13303	0.8
145.10161	4.4
148.07611	0.8
149.09607	2.2
149.13342	1.2
159.11725	2.5
163.11197	2.1
167.10632	1.2
173.13220	1.8
176.92439	0.7
177.12805	1.0
177.16406	1.7
181.12218	2.4
191.10660	1.0
192.06535	2.0
195.11696	1.2
195.13660	1.0
201.12698	0.9
201.16408	7.3
207.11568	1.3
208.12373	0.9
209.11662	3.9
219.13893	1.2
219.17413	4.6
222.13998	1.4
237.14752	2.3
237.16466	2.5
237.18494	24.7
237.22289	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	238.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.0
56.05020	0.9
56.96569	0.7
58.06602	8.2
60.04517	1.2
65.34015	0.6
67.05188	0.8
67.05513	8.6
68.05017	1.9
69.03416	2.3
69.07065	3.7
70.06598	8.8
70.07540	2.7
72.08154	10.9
73.08462	0.7
74.06077	0.7
74.64555	0.6
75.09232	2.3
77.00600	1.0
79.05501	1.5
80.05016	1.1
81.07050	1.6
82.06583	3.3
84.04495	2.9
84.08149	24.1
85.02901	1.0
85.08482	1.6
86.09711	17.9
86.62720	0.6
87.09235	5.5
87.10033	1.0
88.04006	2.3
91.05497	1.4
93.07069	1.3
94.06593	1.4
96.04503	0.7
96.08115	1.6
97.02880	2.1
97.07681	0.9
98.06057	7.2
98.09700	5.1
101.10765	1.6
105.07040	0.8
106.06552	6.3
107.04961	1.5
107.07354	0.8
108.08126	2.2
109.02896	0.9
109.10168	3.5
109.10766	0.7
110.06011	1.2
112.08692	0.8
115.18959	0.6
116.07121	1.3
117.03378	0.9
117.05761	1.3
118.06546	1.7
120.08129	2.5
121.06485	0.9
121.08423	1.6
122.06015	1.1
122.09673	7.7
124.03918	3.5
125.10762	100.0
126.05499	1.5
126.09161	5.8
129.10248	11.7
130.08687	1.3
130.10599	1.1
132.04442	0.6
132.08070	1.5
134.09662	1.3
135.04451	2.8
135.06888	0.8
136.07570	6.0
136.93054	0.7
140.14348	2.2
143.11807	1.3
146.06032	2.8
146.09674	0.8
147.06355	0.8
147.11337	1.3
148.03903	2.4
148.07555	1.2
148.09935	0.7
149.06026	0.9
150.05489	0.7
150.09151	15.5
151.08690	1.6
152.07080	12.7
164.07079	17.8
164.10753	1.7
166.08655	4.9
167.09024	1.3
167.11838	1.8
169.09692	1.6
172.26494	0.6
172.95238	1.1
174.05617	0.7
175.12105	0.7
176.10712	1.2
176.13127	3.6
177.05478	1.2
177.10175	1.2
178.08644	69.7
192.06569	6.0
192.10194	8.6
195.11298	25.4
203.11447	1.5
204.10220	2.5
209.12843	2.4
220.06123	1.0
220.14499	5.8
221.10158	0.7
221.12491	3.9
238.07088	1.1
238.12364	5.0
238.15707	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	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03947	1.4
55.01872	3.8
55.05515	11.2
57.03433	1.1
57.07085	5.3
59.05010	17.3
65.03961	0.8
67.05509	8.7
69.03440	4.2
69.07075	12.8
69.58163	5.4
70.06606	1.8
71.05003	8.6
71.08630	1.1
79.05067	1.3
79.05496	16.4
80.52837	0.8
81.07062	100.0
82.20227	0.8
83.04998	6.5
83.08619	7.0
84.08146	2.2
84.09461	0.7
85.06550	3.8
87.04464	1.5
91.05483	7.6
93.06477	1.5
93.07047	20.7
95.04975	3.1
95.08616	20.6
97.06532	7.4
97.10174	11.0
99.08099	10.4
105.07035	19.5
107.04948	2.9
107.07877	1.4
107.08601	23.2
109.06514	8.6
109.10166	10.8
111.04430	1.3
111.08094	2.4
113.06017	1.8
113.09601	0.9
117.07024	2.5
117.21371	0.8
119.04969	1.0
119.08590	12.2
121.06517	4.9
121.10154	20.7
123.08064	4.2
123.11712	6.6
125.06003	1.0
125.09638	10.5
127.07567	4.9
129.07001	0.8
129.09077	2.2
130.07840	0.8
131.08554	3.4
133.10143	14.0
135.08060	2.7
135.11708	16.3
137.05960	1.3
137.09613	1.9
139.07529	1.0
139.11169	3.5
141.09113	1.4
143.10713	3.9
143.28484	0.7
145.10147	6.0
147.04416	1.1
147.11700	13.2
149.02396	2.0
149.09630	2.1
149.13269	25.3
151.07538	1.1
151.11208	2.7
151.14822	1.5
153.09189	1.0
159.11708	7.7
161.13268	19.0
163.07570	1.5
163.11208	2.3
163.14909	1.0
173.13246	3.0
175.14854	2.0
177.12743	4.2
177.16444	1.8
179.14294	3.5
191.14319	3.9
191.17998	4.5
193.10168	1.1
195.11754	1.0
201.12741	1.6
201.16391	9.8
203.70193	0.8
219.14034	5.2
219.17458	22.0
237.07404	1.4
237.14709	9.1
237.18466	9.4
237.22180	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
50.07215	1.4
53.03928	1.5
55.05515	36.4
57.07058	2.6
59.04995	1.6
67.05511	11.7
69.03436	4.1
69.07059	10.0
70.85989	4.1
71.04995	27.1
73.06548	1.8
79.05505	7.7
81.07051	27.6
83.04989	42.6
85.06546	1.8
91.05492	9.6
92.10669	1.6
93.07043	23.5
95.04964	8.2
95.08613	12.0
97.06535	8.3
99.08089	4.2
105.07037	29.0
107.08607	15.8
109.06512	6.6
109.10165	15.4
111.08069	5.5
117.06992	5.3
119.08579	8.8
121.06555	1.5
121.10143	23.9
123.08078	4.0
123.11733	9.1
125.09675	1.8
127.11191	9.0
127.12058	1.6
129.07076	1.6
131.08548	10.8
133.10139	100.0
135.11694	13.4
137.09546	3.1
137.13217	1.7
139.11189	16.5
143.10681	1.9
145.10143	14.5
147.11702	12.5
149.09624	2.6
149.13293	8.4
151.11205	24.0
151.81517	1.4
153.12781	13.2
159.11674	15.6
161.13187	3.1
163.11171	4.7
175.14784	3.0
177.12753	4.7
185.43399	1.4
201.16376	13.5
219.17474	16.4
237.18510	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1487
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
51.37412	0.4
53.03946	1.1
55.01859	1.4
55.05510	4.4
57.03417	1.0
57.07078	2.7
57.93548	0.7
59.04994	2.2
65.03936	0.5
67.05508	6.6
67.27118	0.5
69.03416	1.7
69.07070	5.3
70.06581	1.5
71.01332	0.6
71.04995	3.2
71.08615	0.5
71.52062	0.5
73.06512	0.5
79.05495	5.8
81.03394	1.6
81.06598	0.7
81.07062	13.0
83.04980	5.5
83.08631	2.9
84.08150	2.5
85.02909	4.8
85.03382	0.7
85.06553	3.1
86.09687	0.6
87.04431	0.6
91.05481	5.4
93.06489	0.9
93.07049	12.9
95.04968	5.9
95.08607	9.5
97.06532	3.9
97.10170	1.1
99.04456	8.8
99.08076	0.8
103.05450	0.7
104.94843	0.8
105.04500	0.7
105.06393	0.8
105.07034	9.0
105.98291	0.4
106.96400	2.0
107.04954	2.0
107.08611	9.4
109.02821	0.6
109.05806	0.7
109.06525	11.7
109.10163	8.0
111.04440	1.1
111.08068	2.6
113.09601	0.6
115.05424	0.7
115.96434	0.6
117.07025	3.4
119.04929	0.8
119.08591	5.4
120.08090	0.7
120.97919	0.5
121.06504	8.8
121.10151	7.2
123.04381	0.7
123.08092	2.8
123.11720	2.5
125.05983	0.6
125.09620	2.0
127.03875	0.7
127.07525	0.7
129.07016	1.2
130.07750	0.8
130.72090	0.4
131.08588	6.2
133.06551	0.5
133.10143	5.0
134.95853	3.3
135.08066	8.8
135.11684	4.2
136.07516	0.5
136.08742	0.8
136.97484	0.6
137.02332	0.8
137.05992	6.4
137.09612	1.6
137.13268	1.1
139.07542	3.2
139.11160	0.8
143.08432	0.5
144.09331	2.9
145.06488	0.7
145.10156	3.2
146.95787	0.6
147.04366	1.4
147.08038	1.0
147.11649	1.6
148.97406	1.5
149.06012	0.6
149.09621	1.8
149.13235	3.1
149.94588	5.0
151.07568	3.2
151.11163	1.6
152.96892	0.9
153.09109	1.7
157.10150	1.7
159.11696	18.8
161.09656	2.1
161.13254	0.7
163.07571	6.7
163.11195	2.0
163.14833	0.5
163.98248	0.5
164.08351	0.8
173.13278	3.0
175.11189	0.6
175.14928	0.6
176.10712	0.6
176.96935	8.8
177.05493	0.7
177.09093	0.8
177.12735	7.1
177.16373	1.0
179.10686	2.5
181.08612	10.6
181.10110	0.6
183.11705	0.9
188.96916	1.3
191.14255	2.2
191.17967	0.6
192.06609	1.7
192.13748	0.5
195.12228	0.5
195.13699	2.4
201.12730	1.9
201.16397	1.2
205.04970	1.2
206.98148	0.6
219.13797	8.5
219.17368	3.0
237.14845	100.0
237.18629	4.0
237.21904	2.8
238.15764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1843
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03934	2.5
55.01860	3.7
55.05515	20.9
56.96564	2.2
57.03428	3.3
57.07069	4.5
59.00246	1.2
59.04988	4.5
59.54403	1.0
61.02948	1.4
65.03973	1.3
67.05175	2.0
67.05513	21.4
69.03441	14.8
69.07079	13.2
69.38358	2.9
69.38763	6.2
70.06579	3.0
71.05001	38.9
71.08631	1.2
72.08150	3.4
73.06555	2.7
79.05500	31.0
81.07066	100.0
82.76637	1.2
83.05000	17.0
83.08615	4.1
84.08141	5.6
85.06557	8.1
86.09698	4.7
91.05497	18.0
93.07050	34.2
95.04978	18.8
95.08622	27.2
97.06541	16.7
97.10168	3.7
98.97598	6.3
99.07499	2.1
99.08109	34.6
105.03410	1.9
105.07043	46.3
107.08609	37.0
109.06531	19.2
109.10168	30.3
109.16666	1.3
111.08088	4.8
112.45964	1.2
113.09674	2.2
115.05465	2.2
116.98607	1.7
117.07027	4.8
119.08598	15.6
120.08091	4.2
121.06500	5.6
121.10165	28.0
123.08105	6.9
123.11734	13.7
125.09652	9.4
127.07567	15.3
127.11208	35.2
129.09203	1.1
129.10254	1.9
130.07790	1.4
131.08583	15.1
133.10147	99.8
134.06003	2.9
135.08069	4.8
135.11726	16.2
137.06013	2.0
137.09599	6.0
137.13263	2.3
139.11195	10.8
143.08595	1.6
143.10721	8.3
145.10143	26.0
147.04385	1.8
147.11703	19.0
149.05989	2.1
149.09651	3.1
149.13300	9.5
151.09979	2.7
151.11200	54.4
153.09117	1.4
153.12744	7.6
155.10684	11.6
157.10109	1.4
158.99655	4.5
159.11713	16.4
161.13290	6.0
163.04074	1.3
163.07652	2.1
163.11241	5.7
165.12738	3.2
169.12279	6.4
173.13284	3.3
175.14842	3.4
176.10715	9.8
177.00688	3.1
177.05498	1.4
177.09114	1.4
177.12798	4.0
177.16385	3.3
179.14328	1.6
191.10670	3.4
191.14374	2.2
191.17970	3.3
201.16428	15.6
219.09964	3.3
219.13821	2.1
219.17456	23.3
228.10236	2.6
229.15504	1.7
237.09216	2.8
237.11221	3.8
237.14725	7.1
237.18523	37.5
238.16006	4.9
238.18153	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	236.1644
Annotation	Huperzine W
Peak:m/z	Relative Intensity
55.05516	7.2
56.05021	1.9
57.06801	0.7
57.07075	11.7
58.02918	0.7
58.07393	0.9
59.71086	0.7
63.46547	0.7
67.05507	1.8
69.03419	1.1
69.07063	1.5
71.52370	0.8
75.47247	0.7
79.05484	1.0
81.05809	0.7
81.07065	6.8
83.08626	5.1
84.08130	0.8
90.39230	0.7
91.05465	3.0
91.35279	0.7
93.07049	8.4
94.06537	1.1
95.04981	0.9
95.08588	2.1
104.07082	4.9
105.07063	2.5
106.06606	0.9
107.07327	1.0
107.08586	1.7
108.08099	2.8
109.06529	3.6
110.09686	1.7
111.11105	0.7
117.07017	1.4
118.06574	1.2
119.04919	0.8
119.08582	1.8
120.08109	12.7
121.06490	1.6
122.05994	0.9
122.09672	3.5
126.09122	0.8
131.08528	0.7
133.10219	1.5
134.09651	10.0
135.10422	2.6
135.11600	0.9
136.07539	2.5
138.09131	2.9
145.08855	0.8
146.05995	0.8
146.09630	2.8
147.06779	2.7
148.07582	6.0
148.11200	4.7
149.12010	3.5
149.13081	0.8
150.09108	1.5
150.12764	1.1
154.08623	2.4
155.22406	0.7
159.11714	1.7
160.11234	2.7
161.08273	1.1
161.12045	4.6
162.09161	17.5
162.12863	0.8
163.09932	28.6
163.13560	1.0
166.08653	17.6
167.09406	1.5
174.12741	0.8
176.14355	75.0
177.14615	0.8
178.12224	3.9
180.10231	2.5
188.10672	4.5
190.15962	4.1
191.16695	19.0
192.13979	1.1
194.11775	2.6
202.12263	1.5
203.12996	2.3
204.13817	7.7
208.16951	0.9
218.15398	2.0
219.16179	9.2
236.16466	100.0
237.16762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1696
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
52.34566	1.7
55.05512	12.0
57.07090	10.5
59.04993	6.7
59.05264	1.6
64.07059	1.6
65.03939	2.7
67.05517	22.6
69.03430	3.5
69.07075	15.0
70.11087	1.5
70.55977	4.9
71.05002	43.1
73.06552	3.6
79.05503	17.2
81.06606	2.6
81.07069	43.8
83.04972	7.5
83.08638	3.4
85.06536	2.9
86.09705	2.2
89.06022	9.5
91.05491	22.6
93.07056	38.1
95.04967	17.7
95.08060	3.2
95.08614	32.0
96.93858	1.7
97.06544	6.9
97.10184	3.6
98.97587	2.2
99.08125	3.4
105.07043	57.3
107.04942	2.6
107.08605	83.9
109.06528	9.2
109.10170	45.6
110.97516	1.7
111.08092	25.1
113.09650	1.6
117.07037	3.2
119.08594	49.4
121.06515	4.1
121.10162	28.4
123.08056	4.8
123.11697	3.4
125.09637	36.4
129.06946	3.2
130.07816	3.6
131.08578	17.7
133.10144	38.3
135.08060	3.5
135.11713	33.7
137.09659	1.9
139.07538	3.4
141.74397	1.7
143.08562	3.4
145.10139	31.4
147.08029	7.9
147.11702	95.6
149.09631	4.5
149.13283	3.6
151.11214	2.7
153.09084	2.8
153.12776	18.8
157.10144	11.4
159.11713	12.9
161.09615	7.3
161.13254	5.4
163.11177	4.6
165.09058	2.3
165.12773	6.9
171.11687	3.3
173.13329	8.4
175.11186	10.2
175.14822	13.1
177.12741	1.8
179.07147	2.7
179.10733	9.5
179.11990	1.8
189.12756	1.9
189.16400	47.3
191.17976	2.8
193.12340	2.2
193.15895	4.0
199.14832	5.8
217.15894	49.1
221.07230	1.8
235.16949	100.0
235.20856	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	235.1693
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
55.05505	10.9
57.07061	4.1
60.04828	2.3
66.24903	2.8
67.05511	19.9
69.07081	13.7
70.14692	9.2
70.15034	3.4
71.05000	34.7
73.06564	3.0
76.30457	2.8
79.05505	15.5
81.07058	34.5
83.04993	5.6
83.08601	3.7
88.23019	2.8
89.06031	11.9
91.05492	19.2
93.07060	36.5
94.47918	2.6
95.04975	15.3
95.08612	26.7
96.70715	2.6
97.06511	3.6
97.10155	3.5
97.88963	2.7
98.20789	4.1
105.07034	52.1
107.07886	5.1
107.08604	85.5
109.06529	5.4
109.10162	40.9
111.08086	27.8
119.08595	40.0
121.06572	3.6
121.10158	25.9
123.08041	3.8
125.09642	47.3
130.07823	3.2
131.08585	20.2
133.10155	24.2
135.11699	33.7
137.09622	3.6
139.07552	3.3
145.10127	30.5
147.08043	7.5
147.11700	100.0
148.77495	3.0
149.09691	4.1
149.13226	3.7
153.12776	17.7
157.10159	8.3
159.11693	10.6
161.09604	8.6
161.13306	4.5
163.11252	5.2
165.09026	3.1
165.12738	9.1
173.13281	4.4
175.11151	9.7
175.14825	9.3
179.10690	3.1
180.24631	2.6
189.16408	49.7
193.15938	5.5
199.14857	3.9
217.15909	40.4
223.78001	2.6
235.16933	89.1
241.06178	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1697
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
51.01352	1.1
53.03930	1.3
53.13857	1.3
55.01863	1.4
55.05507	10.6
57.07084	3.2
59.04991	4.3
64.27439	1.1
65.03944	1.6
67.05509	19.4
69.03427	2.4
69.07072	11.6
69.42235	3.3
69.42645	6.0
71.04996	43.2
73.06540	5.3
74.06069	1.2
79.05490	11.7
81.07066	36.5
83.04999	6.3
83.08603	4.8
85.06544	2.2
89.06036	12.3
91.05495	15.8
91.83041	1.5
93.06485	2.4
93.07058	39.8
95.04973	15.0
95.08617	25.9
97.06535	2.4
97.10178	2.6
98.20761	2.4
99.08104	1.7
103.05501	1.3
105.06333	2.3
105.07037	54.2
107.08605	89.3
109.06522	10.0
109.10164	49.5
111.07388	2.0
111.08089	26.8
113.05926	1.6
117.07040	2.2
119.08590	46.5
119.20617	1.3
121.06504	2.6
121.09322	2.5
121.10152	29.5
123.08039	4.6
123.11691	3.6
125.05983	1.5
125.08782	2.5
125.09646	44.4
127.11218	2.3
130.07741	1.7
131.08580	17.1
133.10146	30.8
135.08064	2.2
135.11710	34.9
137.09633	2.5
139.07558	3.2
142.07768	3.0
143.08572	4.7
145.10136	26.7
146.10898	1.4
147.08058	6.9
147.11699	100.0
148.11989	1.3
149.09663	3.9
149.13245	5.4
151.07549	2.1
153.12755	18.4
157.10146	8.2
159.11768	8.4
161.09618	7.0
161.13213	6.9
163.11150	3.5
165.09169	2.2
165.12753	9.8
173.13210	8.2
175.11195	8.2
175.14818	10.7
179.10666	4.8
187.18858	4.8
189.16402	58.6
189.18144	2.9
191.17972	2.4
193.15878	3.4
199.14839	6.1
202.30681	1.4
207.17456	2.9
217.15886	45.7
235.16940	87.9
235.20946	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	235.1693
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
51.29522	1.3
55.01872	3.3
55.05504	8.7
57.03398	1.5
57.07071	7.8
59.05004	2.9
64.40986	1.3
67.05508	14.1
69.03421	6.4
69.07074	14.1
69.98003	2.3
69.98381	1.9
71.05003	8.5
75.12733	1.2
79.05505	11.0
81.07058	17.0
83.04959	4.1
83.08595	5.5
85.06527	5.1
89.97703	1.7
91.05482	19.2
93.06496	1.7
93.07045	24.0
95.04982	9.1
95.08614	20.1
97.06506	5.4
103.05480	2.4
105.06333	1.6
105.07034	32.7
107.04984	1.8
107.08601	37.0
109.06515	9.6
109.10162	18.1
110.07120	1.4
111.08063	4.8
117.07011	8.2
119.08584	93.8
121.06491	3.6
121.10154	18.9
123.08060	4.8
123.11687	5.6
125.09584	1.8
128.06218	3.2
129.07013	3.8
131.07710	2.1
131.08586	19.1
133.06511	2.8
133.10138	55.4
135.08060	15.5
135.11687	9.7
137.09612	6.7
142.07802	4.4
142.97968	2.2
143.08571	11.9
144.09331	1.7
145.10120	15.7
146.07210	2.0
147.08026	4.9
147.11697	19.4
149.09625	4.5
149.13162	2.8
151.11192	7.5
156.09357	2.9
157.10141	14.9
158.10901	2.2
159.08037	2.5
159.11710	13.5
161.09625	70.0
161.13161	3.3
162.10188	2.0
170.10889	3.0
171.11684	6.9
173.11794	2.3
173.13261	20.4
175.11177	13.6
175.14830	18.1
177.12790	7.7
179.10695	12.5
183.95129	1.3
184.12469	5.6
187.11122	2.2
187.14835	4.3
189.12738	3.0
189.16409	25.5
191.14299	3.5
193.15929	2.8
199.14851	12.2
202.13638	1.9
217.15884	100.0
218.67487	1.4
235.16931	81.7
239.74699	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85545	0.7
53.71221	0.7
55.01860	0.9
56.05007	0.7
56.96567	37.3
57.03425	1.3
61.02913	2.4
67.01473	0.7
69.03413	2.1
70.06590	3.8
70.98100	2.2
71.50612	1.1
71.95238	2.6
72.96018	1.5
73.02885	3.0
76.07811	0.7
82.05299	1.7
82.99847	1.2
84.04512	1.0
84.08126	2.2
85.02885	2.4
85.08443	0.8
86.09673	2.7
97.02860	2.1
98.97587	100.0
100.99139	4.4
101.00893	4.8
103.00609	1.3
105.02186	0.8
110.07159	9.4
110.97532	1.5
112.99136	88.5
115.00663	1.0
115.02393	1.1
116.98628	31.0
119.00140	2.4
119.01896	7.9
121.01641	1.8
127.00682	1.6
128.98581	1.9
131.00171	77.2
131.01718	2.2
133.01685	2.9
133.03438	1.9
133.35812	0.8
134.99641	5.4
135.03218	2.2
136.07587	1.4
136.94017	0.9
140.00153	1.6
143.01840	2.5
145.01677	3.9
145.03445	4.0
149.01228	28.0
154.01743	1.9
154.03761	1.4
155.01862	1.0
156.07710	1.5
156.98070	0.9
157.03427	2.4
158.99620	1.3
161.02908	2.4
163.02696	2.9
166.06189	0.9
167.02260	2.5
168.05008	0.8
170.99652	0.8
172.02766	1.4
174.99202	5.0
175.02782	12.7
175.04434	1.9
177.04092	1.0
187.02773	1.0
187.04495	1.0
188.97011	1.9
189.00673	1.0
189.04074	0.9
191.02301	1.0
193.00211	6.2
193.03854	47.1
193.99677	2.2
203.02171	1.1
206.04341	1.2
207.05563	0.9
211.04893	26.0
212.00784	2.0
216.05510	1.2
217.05730	1.2
218.04756	0.8
219.01573	0.9
229.05762	0.9
235.04811	51.0
235.06895	10.8
235.11852	15.4
235.16667	1.4
253.05937	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	235.1094
Annotation	Polyprenyl phosphate
Peak:m/z	Relative Intensity
55.01867	0.5
55.05506	2.5
55.32111	0.5
57.07077	7.1
59.05031	0.6
65.67539	0.5
67.05508	10.3
69.03430	0.8
69.07074	10.9
69.57081	0.5
70.06543	0.5
71.04999	1.7
71.08647	0.8
71.18398	0.8
79.05498	8.2
81.03411	1.2
81.07059	100.0
83.08629	0.5
84.08154	0.6
85.06625	0.6
86.09664	0.5
87.04465	0.7
88.31858	0.5
91.05492	2.2
93.07051	4.8
95.04984	2.2
95.08611	45.6
97.06557	0.9
98.98478	4.8
105.07032	3.8
107.04983	0.7
107.08591	4.2
109.06528	1.4
109.10151	4.1
117.07058	0.5
119.08598	3.1
121.06500	0.7
121.10169	1.6
123.08112	0.6
125.09664	0.9
129.07024	1.1
131.08589	1.1
133.10107	2.2
135.11697	0.5
137.09639	1.1
137.13264	37.0
142.07852	0.5
145.10161	1.1
147.04382	2.6
147.08044	0.9
147.11700	2.3
149.09673	1.5
151.08720	0.5
152.09447	3.0
155.07086	0.8
157.10194	0.7
159.11717	0.8
161.09621	1.6
161.13266	0.8
164.84413	0.4
171.11763	1.2
175.11220	1.9
175.14880	0.7
177.12849	0.7
179.10721	1.8
189.09125	1.5
189.11130	0.5
189.12775	1.9
189.16409	1.0
193.12199	0.5
199.11192	0.7
206.11798	1.0
217.12241	4.5
217.15933	1.7
217.19458	0.6
219.64131	0.5
235.11108	0.8
235.13396	3.0
235.16853	10.2
235.20621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.165
Annotation	(S)-2',6'-Pipecoloxylidide
Peak:m/z	Relative Intensity
55.05514	0.6
56.05044	1.3
59.16941	0.2
64.72268	0.2
67.05508	0.4
69.03440	0.8
69.07074	0.2
70.06584	1.2
71.15778	0.3
72.08149	0.5
74.06060	0.4
79.05496	1.4
80.05031	0.4
81.07062	0.4
82.06583	0.7
84.08143	1.3
86.09715	1.2
91.05479	0.7
93.07038	0.4
94.06580	2.4
96.08140	0.7
98.06054	1.8
104.77244	0.2
105.07037	1.8
106.06541	0.4
107.07294	0.2
108.08128	0.3
110.06052	12.1
112.48595	0.2
119.08582	1.8
120.08081	1.6
121.06519	0.3
122.06058	1.4
122.09676	27.0
124.07597	1.7
124.11219	1.1
129.10231	0.9
131.08577	1.0
132.08113	0.7
133.08882	0.3
134.09682	1.7
135.10355	0.2
136.07596	1.0
136.11211	0.9
146.09624	0.4
147.10379	0.4
148.10008	0.4
148.11217	12.5
150.09151	42.9
152.10712	0.3
160.11159	0.5
161.11893	0.3
162.09108	0.2
162.12781	1.4
164.10745	0.3
174.12740	0.3
175.09941	2.1
178.12279	5.9
188.14343	1.1
190.12276	37.0
204.13930	0.5
205.16974	0.9
216.13818	0.6
233.16495	100.0
234.16786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1748
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
53.03947	2.3
55.05500	5.5
57.07062	2.3
59.04988	1.5
62.95756	1.1
67.05505	9.4
69.03413	4.5
69.07063	6.2
70.05448	3.9
71.04975	3.3
74.06094	1.7
77.34705	1.2
79.05486	9.6
81.07059	21.0
83.04974	2.2
83.08638	5.4
84.08136	1.7
85.06550	7.9
86.09700	8.0
91.05466	10.4
93.07043	10.4
95.04961	4.8
95.08611	19.3
97.06532	6.5
97.10150	2.6
98.20773	1.4
99.08080	2.2
103.05481	1.4
105.07024	13.8
107.04932	4.7
107.08595	8.6
108.05282	1.3
109.06494	4.9
109.10123	2.5
117.06977	2.6
119.08572	15.8
120.08087	8.5
121.06509	9.5
121.10096	4.7
123.08031	2.7
125.05991	1.2
129.06964	2.6
131.08574	9.2
133.06479	1.6
133.10117	9.6
135.08057	2.4
135.11682	4.0
137.09613	2.0
137.13232	5.2
143.08542	2.2
145.06470	2.1
145.10129	9.8
147.08057	1.4
147.11693	1.4
149.05949	2.3
149.09595	8.5
155.08575	1.9
157.10155	3.1
158.10925	1.6
159.08076	9.2
159.11658	3.0
161.11977	2.1
161.13249	21.4
169.10081	1.5
171.11662	2.0
172.12340	1.6
173.09602	4.7
173.13281	5.5
175.11140	2.2
179.14308	14.2
182.10878	2.8
187.11121	3.1
187.14778	5.2
189.12691	2.8
191.14316	3.4
197.13251	8.1
197.15343	10.1
215.10689	2.6
215.14311	21.3
233.11609	3.2
233.15343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
57.03447	2.3
67.03023	0.2
70.06597	0.4
70.56026	0.5
70.56372	0.3
79.05521	1.2
81.07055	4.3
86.09704	0.4
87.04446	0.2
91.05485	0.5
93.07056	0.7
94.04058	0.9
95.04974	0.2
99.08074	0.5
103.05450	0.3
105.06972	0.3
111.04421	0.3
114.09192	0.4
119.03551	2.4
120.08121	0.4
121.06510	6.1
136.06189	100.0
137.04588	0.8
147.04420	0.2
148.05090	0.3
148.06190	0.4
149.06013	0.4
155.07048	0.4
161.05972	0.7
164.07036	1.2
173.08089	0.4
175.07541	0.8
190.10916	2.0
204.41811	0.2
217.10612	0.6
217.12466	1.0
234.13478	80.6
235.13782	0.4
246.01642	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88280	0.2
53.00784	0.2
53.03708	0.2
55.05505	0.6
56.05040	1.0
67.05505	0.5
69.03437	0.9
69.86221	0.9
70.06594	1.4
72.08162	0.5
74.06079	0.6
74.68925	0.2
77.03983	0.2
79.05508	1.4
80.05035	0.3
81.07053	0.5
82.02959	0.2
82.06580	0.5
84.04478	0.2
84.08145	1.5
86.09713	1.9
91.05482	0.9
93.07043	0.7
94.06577	2.5
95.08641	0.3
96.08141	0.7
98.06078	2.4
98.21486	0.4
98.97567	0.3
103.05472	0.3
105.07040	2.2
106.06544	0.3
107.04949	0.2
107.07345	0.5
107.08604	0.2
108.08142	0.5
110.06054	12.6
110.09693	0.3
117.07039	0.3
119.08593	2.5
120.08106	2.2
122.06079	1.6
122.09676	26.1
124.07594	1.8
124.11218	1.1
126.05569	0.2
129.07048	0.3
129.10245	0.5
130.00499	0.2
131.08589	1.2
132.08090	0.6
133.08885	0.3
134.09656	1.8
135.06822	0.2
136.07600	0.9
136.11250	1.3
138.09151	0.2
146.09671	0.4
147.10413	0.3
148.04654	0.3
148.09998	0.4
148.11218	12.8
150.09154	42.6
152.10693	0.2
154.55157	0.2
157.94476	0.2
160.11244	0.6
161.11996	0.3
162.12753	1.3
174.09172	0.3
175.09962	2.0
176.10858	0.2
178.12292	5.6
179.87257	0.2
188.10663	0.2
188.14323	1.3
190.12280	34.4
191.12643	0.2
204.13776	0.3
205.17021	0.7
216.13898	0.7
233.16501	100.0
234.16759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03946	1.8
55.05510	2.7
56.96578	0.5
57.03439	0.3
57.07075	0.5
59.78619	0.3
64.06026	0.3
67.05518	1.1
69.03436	3.2
69.07066	1.1
70.06593	0.3
70.79414	0.4
70.79751	0.5
71.05006	0.6
72.08157	0.3
74.06086	0.3
75.30597	0.3
77.03938	0.7
79.05497	37.0
81.03433	0.4
81.07056	2.9
83.04969	1.6
83.08620	3.8
84.08144	0.6
85.06551	0.4
91.05479	2.6
93.07045	3.5
95.04973	2.9
95.08609	1.5
97.06533	0.8
105.03400	0.3
105.04533	0.9
105.07043	5.1
106.06571	0.3
107.04961	42.3
107.08603	7.5
109.06531	1.1
109.10180	0.8
111.04464	0.7
111.08085	3.7
115.05506	0.3
117.07064	0.7
119.08592	4.3
121.06516	2.0
121.10152	4.2
123.08056	0.9
123.11690	0.9
125.09654	2.2
129.06973	0.4
131.08575	3.9
133.06485	0.4
133.10129	4.0
135.08054	1.4
135.11713	0.4
142.07776	0.7
143.08556	0.8
145.06491	0.5
145.10129	2.3
147.08070	0.6
147.11690	6.9
149.09624	5.8
149.13277	2.3
150.10428	0.4
156.09315	0.3
157.10133	2.4
158.10913	1.2
159.08058	0.9
159.11691	1.1
160.08836	1.0
163.14810	0.7
163.50008	0.3
167.08577	0.4
169.10118	0.4
171.11722	0.5
173.09621	1.1
173.13290	3.9
175.11203	6.6
177.09007	0.4
182.10947	0.9
187.11308	0.3
187.14780	0.9
189.12717	0.5
190.13470	0.4
191.14316	49.2
197.13306	1.4
215.14285	2.2
225.14424	0.3
233.15372	100.0
234.15677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03946	2.3
55.05507	7.4
56.96559	2.3
57.07071	3.0
67.05182	1.7
67.05512	19.7
69.03426	3.3
69.07056	6.2
70.06598	1.5
71.11331	2.1
78.74416	1.5
79.05499	19.9
79.77339	1.3
81.07064	34.6
83.04980	3.0
83.08618	3.0
87.11910	1.3
91.05486	19.0
93.07046	19.1
95.04959	3.4
95.08061	2.3
95.08622	30.7
105.07040	36.5
107.04958	11.0
107.08607	21.7
109.06535	2.8
109.10174	14.5
111.08127	1.8
117.07035	9.1
119.08605	21.8
121.06511	8.0
121.10144	11.1
123.08087	2.6
123.11681	3.1
129.07031	3.7
131.08583	35.8
133.06461	3.6
133.10168	12.7
135.08035	3.7
135.11674	3.6
137.06003	3.2
139.07593	3.4
143.08521	3.8
145.06490	1.9
145.10147	40.6
147.08061	3.3
147.11722	11.2
149.09618	3.6
149.13297	2.3
150.99571	1.4
151.07576	4.4
155.08546	4.3
156.57484	1.4
157.10097	5.1
158.10890	1.6
159.08102	7.6
159.11731	17.6
161.13254	10.9
163.07573	4.0
165.09201	1.8
169.10104	2.1
171.11653	1.7
173.09605	7.6
173.13280	4.3
174.10387	1.4
175.11176	2.1
177.05493	3.3
177.09154	12.1
178.06232	2.7
182.10951	2.3
187.11201	4.9
187.14841	100.0
191.10628	2.1
191.14368	9.1
197.13286	9.0
200.61436	2.1
205.15913	8.3
215.10948	2.1
215.14334	32.4
233.09584	2.5
233.11790	20.7
233.15367	96.9
233.18736	8.5
233.22585	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	233.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88731	0.3
54.96596	0.3
56.05038	15.2
56.11046	0.3
57.03440	2.4
58.06606	3.3
60.08421	0.3
66.08520	0.4
68.13025	0.4
68.29555	0.3
69.39375	0.3
70.75314	0.7
74.06083	100.0
75.54536	0.3
84.04515	2.9
86.06081	0.4
86.09708	21.1
101.07143	1.9
130.08626	0.5
132.10214	19.1
142.12270	0.7
143.11777	0.5
158.53728	0.4
169.13374	1.2
171.11293	0.3
187.14424	12.0
215.13914	4.9
233.14966	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1498
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
56.05040	15.7
57.03444	2.7
58.06600	3.6
60.87341	0.3
67.63434	0.3
69.46474	2.3
74.06084	100.0
77.61020	0.3
84.04508	2.8
86.09711	20.0
98.00912	0.3
99.30582	0.4
101.07162	1.9
126.09084	0.3
126.12762	0.6
132.10213	18.0
142.12299	0.8
143.11839	0.7
147.62849	0.3
169.13399	1.7
172.09650	0.4
187.14423	10.7
215.13907	4.0
233.14981	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03941	1.6
55.01867	0.5
55.05516	2.7
57.03403	0.5
57.07078	2.1
58.83379	0.4
67.05514	4.2
68.45262	0.4
69.03435	4.3
69.07056	1.9
70.06581	0.6
70.69524	0.4
71.04990	1.2
71.32319	0.6
74.06081	0.6
77.03915	0.4
77.87106	0.4
79.05499	31.6
80.06307	0.4
81.07056	4.0
83.04990	2.1
83.08626	3.8
83.33560	0.4
85.02885	0.8
85.06566	3.3
86.09721	0.5
87.04472	0.7
91.05484	5.4
93.07056	7.2
95.04971	6.4
95.08617	3.5
97.06550	2.1
99.08069	0.8
105.04519	0.9
105.07037	9.8
107.04962	32.3
107.08599	9.3
109.06527	2.3
109.10145	1.6
111.04424	0.8
111.08083	3.0
113.06001	1.8
115.05460	0.9
117.07024	3.6
119.08585	12.7
121.06509	2.3
121.10151	5.2
123.08052	1.3
123.11686	1.2
125.09612	1.7
128.06184	0.6
129.06987	1.9
130.07768	0.9
131.08572	11.5
133.06488	0.9
133.10139	8.4
135.08084	3.9
135.11707	1.2
137.09615	3.8
141.07066	0.6
141.91472	0.4
142.07777	1.7
143.08553	2.2
145.06535	0.4
145.10132	12.3
146.10899	0.8
147.08057	14.6
147.10541	0.6
147.11691	12.1
149.09639	6.7
149.13266	2.3
151.07603	0.4
151.11258	0.5
153.09096	0.5
155.08583	1.1
156.09294	1.2
157.10150	6.3
158.10912	2.0
159.08066	1.6
159.11713	1.7
160.08852	1.7
161.09651	0.5
161.13252	0.7
163.11179	3.7
163.14821	0.6
167.08588	0.6
169.10161	0.6
171.11696	2.0
172.12447	1.2
173.09659	1.9
173.13284	9.7
175.11185	20.3
177.09137	0.7
182.10924	1.2
185.09669	0.4
187.11200	0.5
187.14790	3.5
189.12744	7.4
191.14319	42.7
197.13260	3.5
203.08589	0.4
205.15813	0.8
215.14342	9.1
215.17894	1.3
233.15376	100.0
234.15738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.1
56.96564	0.1
67.05478	0.1
70.12592	0.5
71.04984	1.0
76.11016	0.1
83.16957	0.1
91.05505	0.2
93.07048	0.4
94.06573	0.2
98.20872	0.1
105.07035	1.1
112.37712	0.1
117.07040	0.2
118.06567	0.1
119.07329	3.5
121.15629	0.1
122.06042	1.7
134.09663	100.0
135.10036	0.5
135.89983	0.1
140.14410	0.1
146.06006	0.5
160.07619	0.3
162.09149	0.1
188.10725	0.2
204.13866	8.9
211.40475	0.1
232.13351	4.3
232.15251	0.2
245.31667	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	232.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.7
55.05512	16.4
56.05031	0.8
57.03440	0.6
59.05005	0.7
59.76561	0.5
67.05510	10.6
69.03430	1.3
69.07070	16.9
70.06595	6.4
71.04996	3.7
72.08134	0.8
72.80717	0.6
73.06543	1.2
79.05506	4.4
81.07059	29.2
83.04953	1.6
83.08618	13.7
84.08151	6.4
85.06539	4.3
86.09704	1.5
91.05470	5.2
93.07033	5.8
95.08612	32.2
97.06529	6.2
97.10162	5.0
98.09686	0.9
98.21542	1.4
99.08083	2.1
105.07034	6.5
107.08573	2.4
109.06512	1.2
109.10139	2.8
111.08080	1.6
113.09663	0.6
115.07560	1.2
119.08579	9.7
120.08091	2.7
121.10126	3.0
123.08024	3.1
127.07577	1.2
129.10220	2.1
133.10121	6.9
135.11710	4.2
137.09627	1.8
137.13251	5.8
141.09082	0.9
149.13219	0.7
155.01930	0.8
161.13255	21.6
166.08464	0.9
173.02914	0.7
175.08830	0.8
176.36285	0.7
178.15924	1.2
179.14337	9.4
186.09183	0.7
196.16956	13.4
197.15372	4.8
214.18024	100.0
215.18277	0.8
232.09715	1.0
232.19083	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.3
56.05029	2.5
56.96556	0.6
57.03437	6.9
57.07064	2.0
57.13700	0.5
58.06593	0.8
59.04992	0.7
60.04519	0.6
60.95863	0.5
61.02647	0.6
61.02927	5.6
67.05500	0.7
68.05023	1.8
68.41721	0.5
69.03431	17.1
69.07044	0.8
70.02983	0.7
70.06322	0.4
70.06596	4.8
70.61097	1.2
70.61413	0.6
72.08152	3.1
73.02925	0.7
73.06546	1.9
73.08482	1.9
74.05666	0.9
74.06081	15.2
74.16128	0.5
75.04476	2.7
75.86300	0.5
75.99314	0.5
79.05502	0.7
79.96565	0.4
81.07057	0.9
82.02935	1.8
82.06569	1.1
83.03699	1.0
83.04955	1.1
84.04507	7.3
84.08152	4.1
85.02908	12.5
86.06064	1.3
86.09227	1.0
86.09710	13.5
87.04466	10.3
87.09479	0.9
87.10036	10.9
91.03957	4.3
91.05464	1.5
95.04979	1.1
96.04505	4.5
97.02896	42.0
97.06512	1.4
98.06059	54.9
98.09694	1.4
98.97581	1.2
100.07614	2.5
101.06004	1.4
102.05571	2.5
105.06999	0.5
112.07594	0.8
114.05534	11.2
115.03937	16.9
116.98645	0.7
118.08669	1.3
118.59226	0.6
119.04957	1.1
120.08117	0.7
121.06503	0.8
124.07597	34.0
129.10252	1.1
132.06586	3.0
132.98039	0.5
133.04010	1.0
133.04962	13.1
134.52470	0.5
136.06163	1.3
140.07021	1.5
140.14360	0.6
142.08636	52.7
146.29796	0.5
147.04413	4.6
152.07079	3.3
170.08127	1.0
174.12801	0.5
188.09184	50.7
193.00175	1.2
207.01765	0.7
214.10725	1.3
214.14398	0.9
232.11803	100.0
232.17325	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	232.097
Annotation	p-Hydroxyphenopyrrozin
Peak:m/z	Relative Intensity
50.81446	0.4
52.57066	0.3
53.03926	0.4
56.96585	0.5
57.07066	0.6
61.89863	0.4
67.05503	0.8
69.03430	0.8
69.07063	0.7
70.06599	2.3
71.08613	0.6
72.08156	0.4
72.85146	0.4
79.05484	0.7
81.07053	1.2
84.08146	1.3
88.07646	2.3
91.05483	2.0
92.05026	0.6
93.07034	1.5
94.06571	1.4
95.04961	0.4
96.04496	0.7
97.02829	0.4
98.09658	0.9
98.20769	0.6
103.05463	0.9
105.07025	1.7
106.06577	4.1
106.07291	0.6
106.08656	1.5
107.08644	0.5
110.06069	0.5
110.07221	0.4
112.07639	0.5
115.05441	0.6
117.07028	0.7
119.07334	0.5
119.08580	0.9
120.08102	1.0
121.06502	4.5
122.06038	25.5
127.03867	0.4
129.06940	0.4
130.06580	0.4
131.08545	1.2
134.06021	1.1
134.09648	5.5
134.10564	0.6
135.10437	1.0
136.03926	0.4
137.05959	1.5
139.34650	0.4
140.14330	1.4
141.06970	1.3
142.06535	0.4
143.07269	0.5
143.08492	0.8
144.08139	0.6
144.09232	0.4
145.10098	1.6
146.06007	11.7
146.32486	0.4
147.06808	0.6
148.07588	8.0
148.11288	0.5
148.77171	0.4
153.05679	0.7
154.05005	0.7
156.08060	0.9
157.10077	0.4
158.09654	2.6
158.10774	0.6
158.15375	0.5
159.08028	0.5
159.11778	0.4
160.07571	0.9
161.23758	0.4
162.09071	0.8
167.07249	0.7
168.08087	3.6
170.09563	0.8
171.62776	0.4
172.07422	0.5
173.09665	0.8
173.13289	1.7
174.09181	1.8
174.12779	1.1
176.07042	2.7
176.10658	3.3
186.09154	16.7
187.09709	0.7
188.10684	3.2
204.10262	1.0
214.08658	1.1
214.21677	1.0
232.09705	100.0
232.13417	3.1
232.17078	14.5
232.20154	2.0
232.22722	13.3
236.31982	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	231.1704
Annotation	Val Ile
Peak:m/z	Relative Intensity
53.03952	0.3
55.05513	10.7
56.05046	0.3
57.05811	0.6
58.81224	0.2
69.71632	1.1
72.08157	100.0
84.08123	0.2
86.09706	5.0
110.66608	0.2
112.73306	0.2
132.10208	4.1
133.99800	0.2
185.16528	1.0
216.16058	0.2
231.17046	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	231.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19888	0.2
53.03939	0.4
55.05512	9.4
56.05032	0.4
57.05817	1.0
61.64805	0.2
66.55392	0.2
68.83908	0.2
69.71397	0.4
69.71812	0.6
69.78407	0.2
72.08156	100.0
74.39179	0.2
84.08147	0.4
85.49094	0.2
85.75206	0.2
86.09708	5.5
98.21495	0.3
107.26653	0.2
117.03081	0.2
123.58073	0.2
125.69311	0.2
129.10258	0.4
132.10197	4.0
185.16469	1.4
214.10786	0.2
227.28635	0.2
231.14748	0.4
231.17041	4.8
231.19228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1745
Annotation	(1S)-7-Methoxy-1,2-dihydrocadalene
Peak:m/z	Relative Intensity
52.69653	1.9
53.48222	2.0
55.05520	10.0
57.07073	6.6
67.05519	17.3
68.39834	1.9
69.03422	6.7
69.07076	15.7
69.90799	11.1
71.04977	5.1
72.08170	5.2
79.05491	9.5
81.07070	24.6
83.04973	2.0
83.08604	5.8
86.09718	2.7
91.05480	17.1
93.07051	28.4
95.04973	8.7
95.08620	23.3
97.06510	4.7
97.10138	2.1
99.09995	2.3
105.07044	39.4
107.00773	2.9
107.08599	26.6
109.06535	9.6
109.10162	24.4
111.08061	3.7
117.06998	7.0
117.95980	6.0
119.08588	37.1
120.98690	3.5
121.06510	18.2
121.09464	2.2
121.10165	25.5
123.08057	9.1
123.11672	8.0
128.06241	2.6
129.06996	6.6
131.08548	10.8
133.10141	24.5
135.08044	5.5
135.11659	11.9
135.97058	3.3
137.09605	7.1
141.06985	3.0
141.14693	2.6
142.07782	8.5
143.08545	18.6
145.10138	27.2
147.08014	11.0
147.11707	19.2
149.09612	6.9
149.13266	4.1
151.11159	2.3
156.09328	7.4
157.10146	40.7
159.11719	8.6
161.09634	9.7
161.13254	9.2
163.11163	4.1
170.10971	2.6
171.11714	24.8
173.13280	9.9
175.11209	15.4
185.13309	14.5
187.14836	7.5
189.12794	4.7
189.16501	4.4
195.35533	2.3
203.14273	2.6
203.17995	5.6
213.12808	3.7
213.16396	45.9
231.14058	13.3
231.17447	100.0
231.21039	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	230.9902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78496	5.6
56.96569	73.7
66.91074	6.5
67.05473	9.4
70.06586	22.2
71.23310	7.8
71.23661	7.9
84.08145	28.6
84.96038	19.5
86.09726	9.8
91.11737	5.4
98.09714	17.3
98.97581	100.0
101.00909	12.3
101.94981	7.9
103.00647	12.5
110.97589	10.4
112.99142	8.4
116.98642	41.9
119.01919	10.8
121.01674	26.5
124.95487	8.4
128.98595	12.7
129.10220	13.3
131.00246	9.2
133.03448	13.8
134.99612	13.6
137.02864	7.1
140.14351	16.7
140.98656	8.9
142.96460	8.6
143.00186	7.5
146.99657	12.7
157.03557	8.8
158.99748	8.3
161.01331	7.8
161.02910	11.9
167.99567	6.8
170.99710	7.4
174.99133	10.0
176.37505	7.1
184.97568	9.2
185.02933	14.2
186.00793	10.6
186.04401	7.7
187.04530	8.2
189.00734	14.4
189.02434	12.7
193.00273	7.4
202.98737	7.6
204.01752	9.6
208.04588	8.8
217.00162	12.3
219.03543	8.9
230.17632	36.6
230.98520	22.4
231.03406	13.0
231.06934	8.9
231.17896	10.7
248.99139	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	231.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34686	0.6
53.03943	2.8
55.05515	37.7
56.05030	0.6
57.03435	2.8
57.07071	2.7
58.21199	0.7
59.05010	2.1
60.04516	0.7
65.03931	1.0
67.05523	4.1
68.99791	2.4
69.03436	8.7
70.06591	2.7
70.90701	1.9
71.05000	8.2
71.08646	3.7
72.08159	6.0
79.05499	25.3
80.38502	0.6
81.03428	0.9
81.07062	100.0
83.04982	14.2
83.08629	16.3
83.33695	0.7
84.04512	1.2
84.08147	2.4
85.06548	10.6
86.09729	3.4
87.00835	39.3
91.05470	1.5
97.02897	1.1
99.08099	10.4
101.06042	0.9
105.01891	3.8
107.04956	1.0
109.06523	57.8
109.10165	1.1
117.09155	5.0
127.07565	68.4
135.04433	1.1
145.08603	19.6
147.04428	2.6
158.99712	0.7
160.22508	0.7
168.04510	0.9
185.08199	1.0
203.09206	0.9
231.08618	11.0
231.10710	0.7
231.15030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1907
Annotation	ROLICYCLIDINE
Peak:m/z	Relative Intensity
55.05511	0.5
56.05017	0.2
56.96568	1.4
57.07080	0.2
58.06595	0.2
67.05506	2.5
68.05833	0.4
69.03422	0.5
69.07059	0.5
69.24512	1.9
70.06596	13.6
72.08148	0.5
73.69822	0.2
75.79197	0.2
79.05488	0.8
81.03415	0.3
81.07064	1.9
82.07384	0.4
84.08146	2.7
85.02903	0.2
85.06568	0.3
86.06049	0.5
86.09707	0.5
89.22318	0.2
91.05474	2.0
92.05814	0.2
93.07035	1.1
94.07342	0.3
95.04988	0.2
95.08605	2.6
96.08114	1.0
96.08968	0.3
97.02877	0.3
98.06036	0.3
98.09693	1.0
98.97594	1.8
99.66315	0.2
105.07039	1.5
107.08583	0.8
108.08066	0.2
108.08871	0.3
109.02881	0.2
109.06507	0.2
109.10175	1.3
110.09688	0.7
110.10497	0.6
111.08092	0.4
112.08768	0.2
112.99117	0.4
115.05465	0.2
116.98619	0.8
117.07011	0.9
119.08587	14.5
120.08898	0.4
121.06529	0.3
121.10131	0.4
122.09647	0.5
122.10490	0.5
124.11250	0.5
129.06982	0.3
129.10220	0.4
131.00156	0.3
131.08549	0.7
133.10103	0.8
136.11176	0.3
140.14404	0.5
142.07761	0.3
143.07433	0.2
143.08563	0.5
144.08098	0.3
145.10124	0.6
147.11665	0.5
148.11217	1.0
154.04637	0.6
155.08513	0.5
157.08894	1.0
157.10030	0.4
158.09618	0.8
158.99672	0.7
159.11699	0.6
159.99840	0.3
160.12094	0.3
161.01263	0.2
161.13281	1.0
162.05368	0.3
163.05159	0.4
165.55348	0.2
171.11641	0.3
172.11244	0.8
173.11986	1.9
173.13188	0.2
177.00655	0.5
182.07805	0.6
183.10316	0.3
183.11760	0.3
185.11923	0.3
186.12733	1.5
187.14845	0.3
191.08263	0.7
198.08943	0.5
200.14352	33.6
201.15115	6.5
202.15901	1.4
202.59166	0.2
208.73289	0.2
212.09198	0.3
212.14354	3.7
213.09250	0.2
215.16656	0.3
220.60548	1.5
221.10529	0.3
228.17522	1.0
230.19044	100.0
231.19406	0.4
231.57651	0.2
247.06483	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1905
Annotation	ROLICYCLIDINE
Peak:m/z	Relative Intensity
51.12178	0.1
54.31982	0.1
55.05502	0.4
56.05026	0.1
56.96562	0.3
57.07061	0.2
58.06591	0.3
67.05499	0.7
68.05830	0.2
68.21728	0.1
69.03423	0.2
69.07062	0.3
70.06593	1.6
71.04984	0.2
71.51659	0.2
72.08146	0.4
74.31775	0.1
79.05482	0.2
81.03435	0.2
81.07055	0.6
83.08615	0.2
84.08149	0.8
86.06054	0.4
86.09686	0.4
91.05480	0.4
93.07047	0.5
94.06569	0.2
95.04912	0.2
95.08600	0.4
96.08155	0.2
96.08892	0.1
97.02915	0.3
98.06042	0.6
98.09697	1.0
105.07008	0.5
106.65101	0.1
108.08135	0.1
109.10178	0.1
110.09698	0.2
110.10476	0.4
112.07619	0.2
117.07000	0.2
119.08600	0.9
120.08127	0.2
121.06474	0.3
129.10222	0.2
130.06512	0.4
131.08562	0.3
133.10071	0.2
140.14334	0.6
146.09584	0.3
148.11148	0.2
158.09671	0.9
159.10463	0.1
159.11668	0.2
160.12138	0.2
172.11185	1.7
173.12007	2.2
174.08971	0.1
186.12766	1.8
186.14580	0.2
187.13564	6.5
188.10883	0.2
188.14345	0.9
194.08189	0.3
200.14346	2.8
201.15102	0.8
202.15833	0.3
212.09151	0.2
212.14455	0.2
212.16461	0.2
214.15910	7.7
215.16693	1.6
228.17424	0.8
230.19040	100.0
231.19345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53193	1.3
55.05517	11.9
57.03439	19.5
57.07067	4.2
59.04996	5.8
60.08155	1.5
67.05508	100.0
67.30113	1.4
69.03403	2.2
69.07068	3.9
71.04986	4.0
71.52200	1.7
79.05486	2.9
81.07062	19.3
83.08620	6.6
85.06538	3.3
91.05482	11.4
93.07061	9.0
95.04961	1.5
95.08612	10.9
98.09683	1.9
99.00815	3.0
99.08047	1.5
105.07034	5.5
107.08563	4.2
109.10165	87.1
111.08076	4.4
115.96445	3.0
117.07026	1.8
119.08590	13.2
123.08017	1.9
129.25342	1.4
131.08578	2.6
133.10107	3.1
137.09647	10.2
142.07695	1.5
143.08603	2.9
145.10129	4.3
147.11697	2.7
155.08644	2.3
155.10649	6.1
159.11720	4.5
163.66463	1.4
171.11696	2.0
173.11758	29.8
173.13196	2.7
176.17448	1.5
181.04764	1.4
186.13844	1.7
187.11171	1.7
196.12537	2.2
201.16426	1.8
211.14839	3.1
229.12279	3.5
229.14336	40.4
229.15849	5.9
229.19426	6.9
229.23331	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	230.1752
Annotation	N-decanoylglycine
Peak:m/z	Relative Intensity
55.05513	0.8
58.06606	0.7
67.05508	9.5
67.15846	0.3
69.07065	1.3
70.06596	5.0
70.68884	0.4
70.69243	0.8
72.08150	1.4
73.02940	0.7
74.78885	0.3
81.07053	1.5
83.66620	0.3
84.08141	5.6
86.09701	0.6
98.06039	0.5
98.09696	61.9
109.10171	2.7
112.11266	0.8
123.35684	0.4
137.16467	0.3
140.14348	41.0
144.38538	0.3
158.15370	2.4
167.16519	0.3
212.16409	0.8
230.17522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
56.96566	0.3
58.06603	0.8
61.72119	0.3
64.12666	0.3
66.96838	0.3
67.05507	9.4
69.07082	1.5
70.06596	5.4
71.05807	0.5
71.12054	0.3
72.08167	0.8
73.02911	1.3
81.07040	1.9
84.08144	5.9
86.09709	2.9
96.08126	0.4
98.09695	73.3
109.10162	2.9
111.10471	0.8
112.11240	1.1
126.12818	0.4
129.10219	0.4
138.42325	0.3
140.14345	48.8
158.15404	2.3
212.16441	0.5
230.17516	100.0
231.17821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01874	6.3
55.05503	6.5
57.03415	2.7
57.07065	1.1
59.04983	1.4
59.79663	0.7
67.05506	29.3
69.03413	1.7
69.07070	9.4
69.93583	3.7
70.06580	2.9
71.04982	2.9
71.40923	0.8
79.05495	11.8
81.03406	2.0
81.07057	47.9
83.04974	4.3
83.08620	7.1
84.08115	1.3
85.02856	1.0
85.06529	3.5
86.17254	0.9
91.05481	21.6
93.07048	11.4
95.04962	4.7
95.08613	10.1
97.06535	10.1
97.10126	0.9
99.08072	3.3
105.07031	27.9
107.04955	1.7
107.08591	10.0
109.06532	7.9
109.09480	1.4
109.10151	15.4
111.08037	1.6
113.06017	1.7
115.96416	1.3
117.06981	1.7
119.08585	25.8
121.10146	17.5
121.33127	0.7
123.08044	3.0
123.10854	1.2
123.11707	21.3
127.07544	1.5
129.07016	5.6
131.08586	6.1
133.10130	7.5
137.09605	2.9
137.13295	1.3
142.07779	1.4
145.10092	3.2
147.08018	1.4
147.11691	73.4
149.09593	3.0
150.27321	0.8
155.10629	1.0
157.10135	17.0
159.08009	1.2
159.11650	2.9
165.12752	33.7
168.09219	0.8
169.09966	1.2
171.11703	1.3
173.09531	1.2
173.11699	3.9
173.13153	1.9
175.11182	17.6
181.05035	1.0
183.13693	1.5
187.11186	0.8
187.14835	0.9
193.12280	7.9
205.15649	0.8
211.13097	3.9
211.14999	1.2
213.14520	1.3
229.14301	100.0
229.17914	4.4
229.19524	3.3
230.19003	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	229.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.1
55.05512	11.3
57.03437	18.2
57.07063	2.1
59.04994	3.9
64.81288	0.8
65.03947	1.1
67.05508	100.0
67.33488	0.8
68.05833	1.0
69.03401	1.2
69.07050	1.8
69.88122	3.4
71.04982	4.3
79.05474	1.1
81.07063	15.9
83.08629	7.7
85.06537	3.9
87.04437	0.9
91.05491	6.5
93.07040	4.5
95.08604	6.9
98.09724	1.1
98.21493	1.9
105.06979	1.3
107.08608	1.7
109.10162	88.8
110.10480	1.5
111.08073	3.2
119.08569	6.8
127.11193	1.0
129.48096	0.9
137.09613	4.1
155.10664	7.9
173.11742	29.5
229.14337	43.9
229.19421	1.3
229.23512	4.1
230.13963	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75904	2.0
59.90641	2.5
70.24756	6.9
82.01442	3.5
84.03006	10.0
84.04504	8.5
86.00916	2.5
98.97610	4.7
100.02476	18.6
101.00880	3.1
102.04042	11.8
103.02484	2.3
103.45350	2.5
108.42250	2.2
112.02436	1.9
112.89614	6.6
114.04012	2.6
117.31197	2.2
118.03522	20.5
119.01891	6.9
120.05042	2.7
124.02473	3.4
135.23831	2.2
136.04568	5.5
141.05096	24.2
142.03531	10.2
143.06639	9.1
150.06114	3.9
157.03552	2.5
159.06168	18.8
160.04562	3.5
161.07715	8.1
166.03505	17.2
183.06194	3.4
184.04573	75.0
185.07806	2.7
186.88521	2.6
187.05658	44.0
202.05640	28.6
205.06714	23.4
211.05713	12.1
229.06721	100.0
230.05106	16.3
248.06195	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	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05510	9.3
57.03440	18.8
57.07085	1.4
59.05001	5.4
65.03957	1.2
65.66725	0.6
67.05507	100.0
68.05837	0.7
69.07062	1.9
69.82114	1.4
69.82522	2.9
70.06579	0.7
71.05006	3.6
79.05507	2.0
81.07060	15.4
83.08627	7.8
85.06541	3.3
91.05484	5.5
93.07055	3.4
95.08601	6.6
107.08620	1.5
109.10160	92.5
111.08078	2.6
115.96455	0.8
119.08589	7.4
125.54240	0.6
137.09619	4.8
155.10675	8.0
169.78525	0.8
173.11739	36.5
179.39098	0.7
226.31544	0.8
229.14328	43.9
229.19702	1.8
229.23470	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	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
52.84230	0.8
53.03910	1.2
54.57809	0.9
55.05508	10.1
57.03166	0.9
57.03438	16.3
57.07078	1.8
59.05012	5.5
65.03941	1.0
67.05508	100.0
68.88583	0.9
69.07064	2.4
69.72107	0.9
70.06606	1.1
71.04980	2.5
71.53330	1.4
72.04641	1.0
74.12293	0.9
74.35361	0.9
79.05508	1.1
81.07061	15.5
82.39694	0.8
83.08624	7.4
85.06528	3.5
85.68914	0.9
91.05489	5.4
93.07064	4.6
95.08620	5.5
96.90044	0.8
98.09688	1.8
107.08571	2.8
109.10162	90.2
111.08058	3.5
119.08583	6.4
121.36185	0.9
137.09595	5.1
146.96117	0.9
155.10634	7.0
165.30533	0.9
173.11749	29.4
178.84618	1.0
229.14331	41.8
229.19403	2.2
229.23335	3.5
229.27150	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
58.06602	0.6
65.57297	0.2
67.05509	8.5
69.03426	0.7
69.07077	0.7
70.02617	0.7
70.06211	0.3
70.06596	5.5
71.05020	0.5
76.15684	0.2
79.05495	0.3
81.07059	1.6
83.08578	0.2
84.08144	4.9
96.08141	0.4
97.08945	0.2
98.09697	81.8
98.97565	0.3
99.10061	0.2
105.07042	0.4
107.08570	0.2
109.10168	3.0
111.10475	1.0
112.11269	1.1
127.91644	0.2
135.64078	0.2
140.14346	45.5
158.15413	2.2
162.04367	0.3
165.09122	0.9
171.04848	0.2
228.19592	100.0
229.19943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
56.05042	2.8
57.07077	8.3
58.06602	0.5
67.05507	5.6
69.03430	0.5
69.07066	0.6
69.47141	0.3
69.47427	0.9
69.47849	1.0
70.03744	0.3
70.06597	2.6
71.05004	0.4
72.08160	0.3
72.21523	0.3
79.05490	0.6
81.07066	0.8
81.15867	0.3
82.07386	0.4
83.08652	0.3
84.08147	100.0
85.06570	0.6
85.08498	0.7
85.21026	0.3
94.07370	0.4
95.08614	0.4
96.08975	0.3
97.08916	1.0
97.10165	0.4
98.09694	4.5
98.20797	0.5
103.07580	0.5
107.08586	0.7
108.08917	0.5
109.06458	0.4
109.10139	2.3
110.10528	0.3
122.10540	0.4
126.12797	84.1
127.13158	0.9
128.81204	0.3
133.53563	0.3
134.80084	0.3
140.14363	0.6
144.13850	5.9
192.14656	0.4
205.43948	0.3
210.18497	0.4
228.12334	1.0
228.19598	74.3
229.20033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96249	0.3
55.05529	0.8
56.05034	2.5
57.07080	5.2
57.22353	0.3
67.05507	5.2
69.96403	1.6
70.06599	2.5
81.07064	0.9
84.08147	100.0
85.06555	1.4
92.61158	0.4
96.08115	0.4
97.08887	0.7
98.09708	2.9
109.10175	1.6
126.12798	63.8
144.13850	7.8
210.14835	0.6
228.19594	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1748
Annotation	erythrinan
Peak:m/z	Relative Intensity
55.05493	0.3
57.03421	0.1
67.01866	2.5
67.05470	0.5
67.50636	0.1
69.03396	0.4
69.07037	0.4
70.06551	0.4
70.07423	0.2
71.04980	0.2
72.05298	0.2
79.05467	0.5
80.05776	0.1
81.07047	0.7
83.04928	0.2
84.08124	0.8
85.07707	0.2
86.09676	0.2
91.05453	0.3
92.05790	0.1
93.07015	0.3
94.07394	0.1
95.04933	0.2
95.08577	0.4
96.08926	0.2
98.09695	1.1
105.07015	0.4
106.07309	0.3
107.04941	0.2
107.08562	0.5
108.05256	0.1
108.08897	0.5
109.06468	0.2
109.10109	0.4
111.08077	0.2
112.03973	0.1
112.08415	0.1
119.08580	0.2
121.06467	0.2
121.10101	0.2
122.06845	0.2
126.09942	0.2
126.12749	0.4
133.10098	0.1
134.06808	0.3
135.07526	0.2
136.08334	0.2
137.09598	0.3
140.14307	0.5
146.33112	0.1
151.11182	0.1
152.11520	0.2
156.08092	1.0
158.09631	0.2
165.07809	0.3
165.09120	3.5
170.09688	0.7
171.10420	1.6
172.11102	0.2
174.13617	0.2
183.10139	2.2
183.11610	0.2
184.11169	1.0
185.11937	0.9
186.12834	0.3
192.14610	0.3
193.08611	6.0
198.12790	1.6
199.13556	0.4
200.14355	0.4
200.72455	0.1
210.11179	0.6
210.15250	0.2
211.11320	0.1
212.14339	25.5
213.15111	3.7
226.16020	0.2
228.12894	1.9
228.17473	100.0
229.17784	0.9
248.98772	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.2
55.01823	1.3
55.05505	4.0
56.05017	1.6
60.04519	1.5
67.05502	9.1
68.98198	1.2
69.07054	1.5
70.06572	2.6
71.04996	16.0
71.37000	2.5
79.05484	5.1
81.07056	21.9
84.08130	1.1
86.09685	2.9
91.05485	21.7
93.06487	1.9
93.07046	27.8
94.51227	1.1
95.04993	5.9
95.08613	2.4
97.06489	1.8
98.06062	10.2
98.09696	3.0
104.06509	1.1
105.07042	22.8
107.04913	1.4
107.08617	12.1
108.08098	2.3
109.06522	69.3
109.10161	10.9
110.06032	10.6
111.04451	2.4
113.09650	4.8
113.44657	1.6
117.07001	1.8
119.06038	1.4
120.08113	27.1
121.06489	3.6
122.06049	2.1
123.06809	5.6
123.08049	10.3
123.11696	13.9
131.08589	1.3
132.08084	1.6
133.06470	4.3
133.10126	11.8
134.09668	1.9
135.08034	6.0
135.10541	1.7
135.11707	7.4
136.11195	2.8
137.09564	1.7
143.08557	1.5
143.36273	1.3
146.07198	1.6
150.12808	2.7
151.11192	36.3
152.10710	100.0
153.09119	28.0
160.11243	2.9
161.09631	13.5
161.10815	1.8
168.13866	3.6
178.12300	19.8
179.10684	7.6
183.11629	1.3
193.12202	2.8
196.13339	52.5
196.15147	2.6
228.15921	4.4
228.19714	2.4
247.84648	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01852	0.5
55.05516	1.3
56.05019	0.8
59.05007	0.3
65.37907	0.2
67.05500	1.3
68.00694	0.3
68.44597	0.3
69.03431	8.9
69.07051	0.9
70.06580	0.7
71.04983	0.3
71.52354	0.5
72.08153	0.9
79.05490	1.5
80.05019	0.6
81.03403	0.3
81.07046	1.1
82.06580	0.7
83.04958	0.4
84.04508	0.5
84.08127	0.9
85.06572	0.4
86.09698	0.9
91.05476	2.4
93.07047	2.3
94.06564	2.7
95.04963	2.1
95.08615	2.1
96.04472	1.5
96.05320	0.3
96.08140	0.4
96.44655	0.3
97.02890	0.5
97.06531	0.8
98.06061	0.5
99.04463	0.3
99.08080	0.3
100.03973	0.4
100.11269	0.3
103.05450	0.5
104.04981	0.4
105.07032	1.6
106.06535	0.3
107.07311	0.6
107.08588	2.1
108.04494	0.7
108.08117	1.4
108.08847	0.5
109.06493	1.0
109.10143	0.7
110.06038	1.2
110.07156	0.4
110.09680	0.7
111.06834	0.3
111.08060	0.4
112.03960	0.8
112.07607	2.0
113.05923	0.3
117.05733	0.4
117.07026	0.6
118.06555	0.4
119.04996	0.4
119.05907	0.3
119.08596	2.2
120.08109	2.9
121.06535	1.6
121.08875	0.6
121.10141	0.4
122.06026	2.4
122.09706	2.4
122.10472	0.5
123.04429	0.6
123.08082	1.4
124.03941	0.4
124.07609	3.6
124.11227	0.3
125.09624	0.3
126.05515	0.3
126.09160	3.5
126.09986	0.5
128.06203	0.3
129.06998	0.4
129.10257	0.4
131.07338	0.4
136.07590	5.2
136.11209	2.1
137.08414	0.4
137.09599	1.2
138.09155	1.7
139.07538	3.0
140.07068	1.9
141.05432	0.4
142.08665	0.7
144.06535	0.5
146.06027	0.4
146.09637	1.2
147.08052	1.7
148.07585	2.8
149.05989	0.3
149.08435	0.3
149.09558	0.3
150.09131	2.8
150.10071	0.3
150.71075	0.3
151.09947	0.4
152.10683	0.8
154.08623	5.7
154.12262	0.5
164.10727	7.3
165.09103	0.7
166.08640	0.5
166.84926	0.2
168.10197	1.0
170.11801	0.6
172.09717	1.9
174.09177	2.2
175.07527	1.8
178.08522	0.3
182.11774	1.0
182.15475	0.4
184.13297	0.8
192.10191	16.6
192.97443	0.3
193.08563	1.1
196.09650	0.5
196.13298	0.5
210.07483	0.3
210.11220	5.6
210.12793	0.5
210.15524	0.5
211.09746	0.5
225.84242	0.3
228.12311	100.0
228.23190	1.0
229.12790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66442	0.6
53.03956	0.9
54.03473	1.1
54.49377	0.6
55.01875	1.7
55.05513	5.1
57.02171	6.3
57.07080	7.0
58.02956	1.0
64.09888	0.7
65.03938	1.2
67.01856	1.1
67.05506	18.2
69.03421	2.6
69.07080	3.2
70.06594	5.2
70.20684	2.5
71.04990	1.4
71.08639	1.1
73.48380	0.8
79.05492	10.4
80.05852	0.6
81.03411	1.0
81.07056	7.9
82.02947	4.0
83.01337	3.4
83.03725	10.9
83.04997	1.8
83.08651	0.7
84.04506	2.0
84.08147	3.0
85.02901	1.1
85.06544	2.6
88.07631	6.1
91.05478	7.4
93.07048	13.7
95.01315	1.4
95.04963	6.7
95.08607	6.4
97.02859	0.8
97.06535	1.1
98.06025	1.1
98.09702	3.7
99.03196	2.3
100.03970	2.2
102.09174	5.0
103.05455	1.1
105.07021	3.9
107.04932	1.3
107.08605	3.1
108.08921	1.2
109.02892	1.8
109.06507	2.7
109.10155	12.8
110.02416	1.4
111.03185	94.6
111.04435	2.5
112.03935	2.0
112.11308	0.9
119.08585	14.4
121.06502	1.6
121.10153	10.6
122.06024	2.1
122.10488	0.7
123.04463	6.1
123.08060	1.8
125.09628	1.5
126.05482	1.2
126.12811	1.0
128.03461	6.6
137.06081	0.7
137.09622	8.6
139.11214	0.8
140.14325	2.1
147.08054	5.6
149.09625	4.9
151.03978	1.1
154.12209	1.1
164.10713	8.0
165.09114	54.5
166.12190	0.7
167.10652	1.4
168.10228	1.1
175.07512	4.8
182.11763	2.5
182.15427	2.0
183.10124	1.0
192.10201	2.3
193.08612	31.0
200.64563	0.6
210.11250	100.0
211.09680	5.0
228.10568	0.7
228.12308	25.3
228.15973	2.0
228.19565	3.4
228.23228	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	228.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29764	0.5
55.01860	1.7
55.05510	0.7
56.96555	2.1
57.03425	2.1
61.18509	0.5
67.05505	4.0
69.03433	44.9
69.07072	0.8
69.72962	0.5
71.04978	0.5
71.51626	0.8
72.65958	0.5
79.05489	3.6
79.98344	0.6
81.07047	2.9
83.05039	0.5
84.08160	0.6
84.67227	0.6
84.96026	0.5
85.02888	2.7
86.09705	1.3
87.04460	2.2
91.05487	6.2
93.07050	6.8
95.04965	4.2
95.08612	6.8
97.02904	3.8
97.06522	1.0
98.97589	6.4
103.05449	0.8
105.07034	8.1
107.04955	1.1
107.08588	1.0
109.06509	2.4
109.10137	3.6
110.97570	1.9
115.03926	2.4
116.98644	1.4
117.06993	1.5
118.06553	0.5
119.08578	11.8
121.05753	0.5
121.06521	3.2
121.07263	0.8
121.10160	2.2
123.04436	10.0
123.08073	14.7
123.08961	0.7
124.07644	0.6
128.98595	0.7
129.07002	1.7
132.08125	0.7
136.07573	5.7
136.11229	0.7
137.05965	3.9
137.09607	3.1
137.80817	0.6
145.05182	0.9
146.06007	0.7
146.09656	1.7
147.08046	14.0
151.11220	0.9
154.12364	1.3
158.99704	1.5
162.04381	5.4
164.10707	8.9
165.09120	100.0
166.09384	0.6
170.11565	0.6
171.04935	4.7
174.09160	2.9
175.07565	1.2
177.00703	0.6
179.03783	1.8
182.55710	1.1
192.10216	9.3
193.08603	1.7
196.13295	0.9
197.04776	0.7
200.07088	0.9
210.11182	4.0
210.12984	1.1
211.09686	2.3
212.79294	0.6
219.01776	2.1
221.04916	1.4
228.06589	3.0
228.12260	1.0
228.15965	1.7
228.23291	0.8
237.02806	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	228.0869
Annotation	L-Arogenate
Peak:m/z	Relative Intensity
53.03944	2.6
55.01883	5.1
55.05517	4.7
56.05033	2.4
56.96569	37.3
57.03437	3.5
57.07063	0.8
59.04982	1.2
60.04514	1.9
60.05638	0.9
60.95853	1.0
61.02916	4.4
62.37611	0.8
65.03937	1.0
67.05513	5.2
68.05039	1.3
68.62928	1.1
68.99789	2.5
69.03433	7.6
69.07069	5.8
70.02950	1.8
70.06597	18.8
71.04986	2.7
71.06909	2.4
71.50945	1.5
72.04495	1.6
72.08160	13.2
73.02929	6.4
73.06564	1.0
74.06062	1.6
79.05501	15.9
80.05013	2.1
81.03420	3.5
81.07059	29.4
82.02949	1.1
82.06583	1.5
83.01296	1.1
83.04982	3.6
83.06091	2.5
83.97613	1.0
84.04512	10.2
84.08154	18.6
84.96050	1.7
85.02906	12.5
85.04016	4.6
85.04819	2.2
86.09710	40.0
87.04476	1.2
87.05575	4.1
88.03974	2.5
91.05487	13.8
93.05793	0.9
93.07052	14.4
94.06573	9.9
95.04979	5.8
95.06076	2.0
95.08602	2.5
96.04482	3.8
96.08147	5.2
96.08891	0.7
96.68716	1.1
97.02901	7.6
97.06531	4.4
98.02431	3.1
98.06041	3.9
98.09699	3.0
98.97597	18.6
99.04442	1.9
100.07658	1.0
100.99171	1.2
102.05491	1.0
103.05471	2.2
105.04536	1.5
105.06980	1.5
106.06567	4.7
107.04957	7.4
107.08563	1.5
108.04533	1.1
108.08138	4.4
108.08833	0.8
109.02917	5.3
109.06521	34.8
110.01290	1.6
110.02404	2.8
110.06054	4.3
110.07172	16.2
110.97588	4.6
111.04443	5.1
111.08133	0.9
112.03998	1.4
112.07617	1.3
112.08696	2.5
112.11226	1.5
112.99081	1.7
113.03513	2.2
113.10758	5.7
114.05577	1.4
115.00677	2.8
115.03953	1.1
115.08678	1.7
116.07082	3.7
116.98609	6.6
117.07458	2.5
118.06551	5.8
119.01835	3.5
119.04937	12.2
119.05859	1.0
119.06144	0.9
120.04462	1.2
120.08105	3.8
121.06519	23.5
122.06055	8.7
122.09688	1.7
123.04433	8.3
123.06827	2.0
123.08167	1.0
124.07626	4.7
124.11200	1.1
124.99148	2.2
125.06011	6.1
126.05504	3.6
127.03909	3.2
128.98604	2.7
129.10254	14.2
129.11156	1.7
130.05034	1.0
131.00142	1.4
131.01791	2.0
133.01698	1.3
134.06027	23.1
134.99646	2.1
135.04425	17.6
135.08107	0.9
136.03951	1.6
136.07593	31.1
136.08615	1.3
137.05983	41.8
138.05519	18.3
138.09137	3.7
139.03873	3.3
139.06299	1.0
140.02324	0.9
140.07071	12.5
140.14322	1.3
140.98605	1.7
141.02205	1.1
141.10233	12.5
142.01830	1.1
143.00156	2.8
143.01788	2.4
145.01675	1.2
146.06032	10.3
146.99615	1.6
147.03281	1.8
147.04396	7.9
148.07570	6.3
149.01196	1.2
149.05980	3.4
149.98656	1.7
150.05519	12.5
150.09114	1.6
151.03912	1.4
152.02327	11.1
152.07095	11.4
153.05463	10.3
154.05003	2.0
154.08601	2.2
155.04591	1.4
155.11812	7.3
155.54816	1.3
156.03331	23.6
156.06529	1.6
156.07719	2.9
158.99681	5.6
159.03276	3.5
160.02811	2.0
161.01283	1.7
161.02838	6.6
162.04320	1.2
162.05524	13.6
162.99208	1.0
163.03928	6.5
163.53120	1.1
164.07086	37.0
165.05492	35.6
165.09087	1.6
166.04974	1.4
166.08652	4.3
167.07101	5.0
167.99715	6.6
168.03319	5.0
168.06540	2.1
169.09755	5.4
172.06111	1.6
173.02829	1.0
174.04309	16.0
174.05768	5.1
175.03996	1.1
177.00740	2.9
177.04327	5.4
180.06535	16.9
181.04956	21.2
182.03348	2.7
182.08115	5.2
183.06592	1.9
183.11333	5.6
186.00784	17.0
186.04398	30.4
187.02809	1.5
192.06580	26.5
192.08168	1.8
193.05057	7.3
193.06673	1.6
196.09634	2.4
199.05977	4.4
200.13895	10.9
200.15269	0.9
201.00711	2.4
204.01863	4.0
204.05455	20.6
205.03825	1.8
207.53859	1.4
209.10359	3.0
210.07632	100.0
210.11105	4.5
211.06044	17.7
211.10490	8.1
216.54424	4.3
219.01883	2.1
222.06534	0.9
223.01187	1.2
228.01804	1.8
228.05267	7.3
228.08603	12.9
228.12152	8.8
228.16003	2.5
228.19670	2.4
228.23241	5.4
229.15253	1.0
237.02960	1.3
246.06465	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	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.25423	1.6
53.03944	3.6
54.20942	1.6
55.01865	3.6
55.05509	21.1
57.03430	4.0
57.07077	8.3
59.04989	3.9
62.64003	1.4
65.03934	2.5
67.05194	1.9
67.05511	31.4
69.03427	33.2
69.06686	2.4
69.07072	40.9
69.32304	13.9
71.04999	32.5
79.05493	42.6
81.03426	13.1
81.06598	2.9
81.07059	55.5
83.04556	2.1
83.04986	23.1
83.08617	18.2
84.08134	2.0
84.33747	1.7
85.06528	6.6
87.04476	3.2
91.05476	20.1
93.07048	42.1
95.04966	6.4
95.08609	43.8
97.06539	12.5
97.10168	22.2
99.08067	5.0
105.07039	24.5
107.04916	5.7
107.08598	100.0
109.06541	13.0
109.10155	39.6
111.08096	19.6
115.07540	10.6
117.07030	4.6
119.08595	12.3
121.06524	11.7
121.08327	1.9
121.09330	3.1
121.10147	35.1
123.08051	10.6
123.11686	13.6
125.05994	3.3
125.09641	32.6
125.10562	2.5
126.12772	1.6
129.09117	6.5
131.08568	15.5
133.10129	22.3
135.08064	21.6
135.11682	11.1
137.09628	10.8
139.07530	3.5
139.11244	2.4
143.08528	1.9
143.10686	7.4
145.10085	7.9
147.11691	18.0
149.09627	16.3
149.13268	17.5
151.11185	28.2
153.09097	9.1
158.10878	3.2
161.13239	4.9
163.11235	2.0
163.14839	28.0
165.12805	13.4
167.10670	4.1
169.89479	1.7
173.13278	32.7
191.14307	52.7
209.15375	31.2
227.16435	29.3
227.18536	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.33678	0.5
53.03947	2.1
55.01863	0.8
55.05508	5.6
56.02658	0.7
57.03445	0.8
57.07072	1.1
59.04995	0.8
61.18079	0.5
65.03960	0.9
67.05505	21.5
69.03434	4.1
69.07070	6.1
69.14656	2.8
69.15078	2.4
71.04993	100.0
71.60453	0.5
72.93780	1.0
79.05488	10.8
81.03440	0.9
81.07053	31.9
83.04985	3.2
83.08627	2.8
85.06532	3.3
86.09753	0.5
91.05477	6.1
93.07045	17.8
95.04967	2.3
95.08610	17.4
97.02890	0.5
97.06522	3.9
97.10171	2.7
99.04454	1.0
99.08098	1.2
100.11263	2.4
105.07034	5.1
107.04984	1.1
107.08595	14.0
109.06534	3.4
109.10147	4.9
111.08080	3.0
113.06029	1.5
113.96423	1.7
115.05475	0.7
115.07567	1.1
117.07004	4.2
119.08598	2.2
121.06515	2.4
121.10136	6.7
123.08070	1.5
123.11716	1.2
125.09649	3.0
130.46327	0.5
131.08551	4.6
131.97519	0.7
133.10132	6.4
133.25699	0.5
135.08075	3.4
135.11693	10.8
137.06033	0.6
137.09665	0.7
139.07523	0.8
139.11180	0.6
143.08629	0.7
145.10135	1.4
147.11716	1.8
149.09624	1.6
149.13242	7.0
149.14217	0.6
151.11176	3.2
153.09166	1.2
157.10126	1.0
159.11693	7.9
161.13258	0.6
163.11211	1.6
163.14815	2.9
165.12775	0.9
167.10773	0.9
169.08630	1.2
169.10020	0.5
171.11674	0.6
173.13290	2.8
177.12756	3.4
181.12245	0.6
191.10664	0.8
191.14351	3.7
195.13818	2.4
197.85808	0.6
209.11612	0.7
209.15291	4.1
227.10692	0.9
227.12770	1.7
227.14561	1.2
227.16284	1.2
227.17911	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	227.1279
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03932	2.0
55.01874	5.6
55.05272	0.9
55.05510	11.9
57.03427	2.3
57.07063	1.1
65.03931	1.1
67.05506	15.2
69.03419	2.2
69.07072	7.3
69.86829	0.6
70.68320	1.8
71.04996	3.9
73.02901	2.0
79.05496	24.1
81.03429	4.0
81.06590	1.1
81.07058	20.2
82.77913	0.5
83.04987	3.5
83.08624	10.6
85.06532	1.1
91.05477	7.8
93.07048	34.3
95.04974	7.1
95.08613	42.0
97.02914	4.2
97.06532	4.2
97.10169	1.1
99.04452	4.5
103.05473	0.7
105.07040	7.7
107.04310	0.9
107.04967	11.5
107.08598	27.6
109.06522	2.1
109.10163	3.2
111.04451	2.2
111.08040	1.5
113.05978	0.7
115.05441	1.1
117.07031	8.6
119.08577	10.8
121.06513	5.7
121.10150	12.9
123.08072	0.9
125.06017	3.7
125.09608	0.7
127.07529	0.6
129.06996	0.7
130.07776	1.8
131.08583	1.0
133.10146	3.0
135.08073	3.1
135.11699	48.7
137.09586	0.7
139.07541	2.8
143.08565	1.6
145.06429	0.8
145.10132	27.7
147.11656	0.8
151.11134	0.7
155.08632	0.6
163.11188	68.6
173.09544	1.3
173.13199	0.9
181.12234	17.4
191.14308	1.9
209.11798	3.2
227.12788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.91069	1.9
51.93797	2.1
53.03949	3.5
55.01868	3.8
55.05516	26.6
57.03435	3.6
57.07077	5.5
61.13381	1.9
63.63136	1.7
67.05508	28.5
68.75725	2.2
69.03439	32.2
69.07072	35.7
70.46986	2.9
70.47319	4.3
71.04991	33.6
76.25208	1.9
79.05501	38.8
81.03432	10.2
81.07060	56.0
83.05000	15.7
83.08627	14.3
83.55938	2.0
85.06558	4.6
86.90534	2.5
89.58131	1.9
91.05490	18.7
93.07049	44.2
95.04967	6.8
95.08018	2.2
95.08610	48.9
95.09125	1.8
97.06532	9.5
97.10183	18.1
97.64907	2.2
98.20797	2.1
99.08083	4.8
100.11235	4.4
105.07044	21.9
107.04948	6.2
107.08605	100.0
108.17093	2.1
109.06519	14.0
109.10165	34.3
110.83859	1.9
111.08090	17.7
112.28575	2.1
115.07579	6.8
117.07015	4.7
119.08578	8.2
121.06512	15.3
121.10159	37.2
123.08127	11.3
123.11703	10.5
125.09650	28.5
129.09097	4.3
131.08585	13.2
133.10147	17.9
135.08072	24.7
135.11665	10.6
137.09618	9.3
139.07581	2.3
141.11473	2.4
143.10686	5.4
145.10138	3.8
147.11710	13.4
149.09637	14.8
149.13278	15.4
151.11200	26.4
153.09116	7.2
158.10918	4.5
161.13237	4.4
163.14839	27.5
165.12788	10.9
173.13284	31.6
191.14320	46.0
209.15324	19.9
227.16493	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.80956	1.8
55.01876	33.5
55.05504	5.9
57.03433	4.2
57.07075	10.8
67.05507	31.5
69.03436	7.4
69.07070	21.3
70.33125	4.0
70.33508	3.4
71.04983	8.8
79.05499	19.5
81.07049	21.5
83.04977	5.6
85.06546	55.1
91.05482	9.9
93.06489	2.8
93.07050	43.0
95.04964	10.1
95.08608	21.5
97.06532	32.3
99.04469	15.3
100.52481	1.8
101.06028	2.2
105.07034	32.0
107.04972	2.8
107.08602	86.6
109.06535	10.6
111.08094	4.5
113.06013	22.3
117.07031	5.5
117.94534	2.0
119.08593	15.0
121.06515	24.4
121.10149	45.5
123.08077	20.9
130.07828	2.2
131.08588	3.5
133.06544	2.6
135.08078	13.3
135.11685	17.5
145.10136	34.5
147.11653	3.1
149.09613	13.3
151.07558	17.0
153.12718	1.9
163.11191	99.2
167.10699	20.0
168.82658	2.0
169.08614	100.0
173.09607	8.8
181.12244	34.6
185.11723	5.4
191.10678	45.1
209.11723	27.9
227.12813	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.128
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
52.01205	1.4
53.03945	2.7
53.37790	1.4
55.01876	33.8
55.05510	12.4
57.03427	4.6
57.07074	12.1
65.03946	2.0
67.05139	2.0
67.05506	37.6
67.80253	1.3
69.03439	16.7
69.07072	35.2
70.76088	3.2
70.76431	1.6
71.05000	16.8
77.42526	1.3
79.05500	28.3
81.03409	3.7
81.06603	2.0
81.07065	36.9
83.04986	11.0
83.08614	5.7
84.08159	2.0
85.06030	2.1
85.06546	51.3
91.05479	15.9
93.07050	54.6
95.04995	9.3
95.08612	35.8
97.05923	2.5
97.06532	36.4
97.10155	6.0
99.04453	11.3
99.08068	1.6
100.11259	2.8
101.05973	2.9
105.07034	32.4
107.04937	4.5
107.08601	92.5
109.02895	1.3
109.06522	20.7
109.10152	11.1
111.03188	5.8
111.08071	10.8
112.03508	4.5
113.06006	16.5
115.07571	3.7
117.07010	6.7
119.06139	2.0
119.08580	17.0
121.06511	22.4
121.10150	52.8
123.08068	20.1
123.11714	5.0
125.05952	1.8
125.09651	10.1
129.07025	1.8
130.07780	3.7
131.08546	7.1
133.06506	2.6
133.10133	7.5
135.08072	14.6
135.11710	17.1
137.05969	3.8
137.09601	3.9
139.07564	2.9
139.11186	4.0
143.08542	2.3
145.09065	2.3
145.10138	29.6
146.06795	1.9
147.11690	6.7
149.09628	19.1
149.13304	4.0
151.07549	13.5
151.11168	6.0
153.09109	2.9
157.10100	2.4
163.11194	82.2
163.14830	6.2
164.07907	5.2
165.12706	2.4
167.10692	24.2
169.08615	100.0
171.11699	2.8
171.46980	1.5
173.09634	6.0
173.13258	10.3
181.12224	25.1
185.09373	1.7
185.11713	5.2
185.13206	1.6
191.10680	44.2
191.14290	13.9
209.09959	5.0
209.11743	25.0
209.15311	5.4
212.14409	3.5
227.10605	3.2
227.12662	15.2
227.14342	1.9
227.16324	3.2
227.18077	2.3
228.17456	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	226.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05269	0.5
55.05518	5.7
56.05043	2.9
67.05505	4.2
67.32949	0.3
69.03434	0.6
70.06603	2.4
72.75993	0.3
81.07050	1.0
83.04991	31.9
84.08154	100.0
85.58702	0.3
89.11307	0.3
95.08667	0.3
97.08917	0.7
98.09705	2.0
101.06033	0.7
109.10167	1.4
125.85352	0.3
126.12807	71.9
127.13141	0.4
133.10129	0.3
144.13857	13.3
190.13110	0.3
194.58626	0.3
208.17003	0.5
226.18044	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05269	0.5
55.05518	5.7
56.05043	2.9
67.05505	4.2
67.32949	0.3
69.03434	0.6
70.06603	2.4
72.75993	0.3
81.07050	1.0
83.04991	31.9
84.08154	100.0
85.58702	0.3
89.11307	0.3
95.08667	0.3
97.08917	0.7
98.09705	2.0
101.06033	0.7
109.10167	1.4
125.85352	0.3
126.12807	71.9
127.13141	0.4
133.10129	0.3
144.13857	13.3
190.13110	0.3
194.58626	0.3
208.17003	0.5
226.18044	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01870	0.7
55.05515	2.3
56.05034	0.8
56.96561	0.2
57.03431	1.5
58.06602	2.9
60.04530	0.3
60.05661	0.3
65.03935	0.2
67.05516	2.0
68.05044	0.4
69.03426	0.9
69.07073	2.3
70.06598	3.7
71.01355	3.6
71.04979	1.0
71.51705	0.3
72.04521	0.5
72.08157	5.0
73.02901	0.3
73.06548	0.2
73.08484	0.2
79.05499	2.3
80.05032	0.6
81.03437	0.4
81.05808	0.2
81.07066	1.7
82.06581	4.0
82.07022	0.4
83.04979	0.3
83.06116	0.2
83.07361	1.0
83.08605	0.5
83.57603	0.3
84.04508	3.0
84.08142	7.6
85.02906	0.5
85.08498	0.3
86.06068	11.6
86.09714	1.1
87.04440	0.2
87.94154	0.2
91.05489	1.5
93.07040	2.1
94.06570	2.7
94.07162	0.2
94.07383	0.2
95.04968	0.9
95.08618	2.1
96.04491	0.7
96.08129	5.1
96.49928	0.2
97.02896	2.7
97.06533	0.6
98.06065	0.8
98.09689	0.9
98.97599	0.2
103.05441	0.5
105.03390	0.4
105.07031	1.2
106.06586	1.1
106.07169	0.2
107.04956	1.9
107.07352	0.6
107.08579	1.7
108.04478	0.3
108.08165	1.2
109.05313	0.4
109.06510	0.6
109.08889	0.3
110.06021	1.4
110.07155	0.3
110.09705	0.4
111.04451	0.4
111.08101	0.6
111.10469	2.0
112.07604	27.7
112.11226	0.8
113.07191	0.2
113.08377	0.3
113.09671	0.4
116.98628	0.2
117.07072	0.3
118.06540	0.2
119.01914	0.4
119.04948	0.3
119.08591	0.4
120.04453	0.6
120.05567	0.6
120.08107	5.2
120.08945	0.4
121.02854	0.4
121.06512	0.9
121.10198	0.5
122.06019	1.1
122.09680	1.2
123.04406	0.7
123.08076	0.5
124.03963	0.3
124.07575	1.9
124.11208	0.6
125.07130	0.3
125.09634	0.5
125.12016	2.6
126.05507	0.5
126.09168	1.1
126.12794	17.8
129.05484	0.8
129.10240	1.7
130.04959	0.3
130.08635	0.7
131.08603	0.3
132.08089	0.5
133.06477	0.3
133.10143	0.3
134.06013	2.2
134.09654	0.5
135.08044	0.3
135.10393	0.2
136.03969	0.3
136.07628	1.2
136.11214	4.3
136.12175	0.4
137.06006	0.4
137.09503	0.3
137.11995	0.9
138.05455	0.7
138.12793	3.8
139.07565	1.8
140.07051	0.9
140.10704	0.3
145.06464	0.3
147.06831	0.3
147.08014	0.3
147.11305	0.8
148.03876	0.3
148.07576	0.5
148.11154	0.2
149.08435	0.4
149.09567	0.3
150.05489	0.5
150.09090	0.3
150.12781	1.5
151.11235	0.4
152.07060	6.6
152.08289	0.4
152.11526	0.7
152.14340	0.4
153.09087	0.3
154.12271	67.3
156.13841	100.0
157.14192	0.3
160.07576	0.4
160.11243	0.3
162.05501	0.3
162.09169	0.9
163.07559	0.5
164.07036	0.3
164.10675	0.4
164.14355	7.2
166.05049	0.6
166.08626	0.7
168.06456	0.2
168.13841	0.6
170.08118	2.7
170.09462	0.4
175.11925	0.3
176.10727	0.3
178.08678	0.9
178.12271	12.6
180.06535	0.5
180.10152	1.0
182.08148	0.7
182.15411	0.4
182.72888	0.2
187.89565	0.2
190.08585	1.4
192.10161	0.2
196.13333	10.8
198.14900	0.3
204.13596	1.0
204.28937	0.2
208.06224	0.6
208.09753	1.0
208.13341	1.1
209.08173	0.4
209.12875	0.5
221.05167	0.2
226.14369	88.5
227.14278	0.6
228.37199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1075
Annotation	Radicamine B
Peak:m/z	Relative Intensity
53.03942	0.8
54.03468	1.1
55.01877	2.8
55.04255	1.1
55.05516	3.2
57.02182	7.2
57.03441	0.5
58.02942	0.7
65.03934	0.8
67.01865	1.6
67.05497	3.7
69.03436	0.7
69.07085	2.1
69.28828	1.4
69.29236	2.6
70.06591	0.8
71.05009	0.9
78.40671	0.5
79.05497	7.5
81.03411	0.9
81.06738	0.3
81.07056	3.5
82.02949	3.0
82.06564	0.6
83.01347	4.3
83.03722	12.8
83.04994	5.5
84.04501	1.9
84.08146	1.5
85.02901	0.9
91.04978	0.8
91.05492	9.3
92.04990	0.4
93.03439	0.8
93.07045	5.6
94.07365	0.7
95.04975	1.9
95.08600	1.2
97.06538	3.4
97.08954	0.7
98.02425	0.7
99.03196	3.0
100.03976	1.6
100.04714	0.4
103.05435	0.6
105.03374	1.0
105.07064	2.4
106.07349	0.7
107.04958	3.1
107.08600	8.9
109.02872	1.3
109.06552	2.5
109.10159	2.6
110.02419	1.1
110.06033	0.6
110.09669	0.5
111.03190	100.0
112.03987	5.3
115.05439	2.5
117.07023	15.3
119.08591	13.8
121.02900	0.8
121.06494	1.8
121.10134	0.6
123.04439	0.6
123.08100	0.5
124.04002	0.7
124.07617	0.8
128.03445	3.3
133.35492	0.4
134.09691	0.6
135.04393	0.5
135.08057	14.3
137.02330	0.9
137.09656	1.6
138.01875	2.1
138.05484	1.0
145.06490	15.3
147.08023	2.7
149.02454	0.7
151.07532	0.6
151.11194	0.8
152.03517	0.6
152.11559	1.7
154.04987	2.5
154.12288	0.7
156.08670	0.5
162.09161	2.0
162.13611	0.5
163.07552	33.0
165.09143	1.2
165.29080	0.4
166.05002	2.5
169.08624	1.0
173.06087	1.5
180.10201	1.4
190.08667	0.9
190.13167	0.6
191.07050	7.9
208.09694	54.7
208.13899	2.9
209.08220	0.6
211.26942	0.5
226.10773	15.5
226.14142	2.9
226.18126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1075
Annotation	3-hydroxy-O,5-dimethyl-L-tyrosine
Peak:m/z	Relative Intensity
50.85825	0.7
51.62064	0.7
53.03952	1.6
55.01844	0.7
55.05497	2.5
56.05033	1.3
56.96573	0.9
66.03456	1.3
67.05496	2.4
68.05029	1.9
69.03419	4.7
69.07056	1.0
69.50837	4.7
70.06587	2.6
71.04980	1.5
79.05508	4.4
80.05005	1.1
81.07053	4.2
82.06577	2.0
84.04505	1.4
84.08153	3.7
85.08474	0.9
86.09682	0.7
89.63218	0.6
91.05486	8.5
92.05824	1.4
93.05785	2.1
93.07049	13.1
94.02932	52.4
94.06567	1.9
95.04976	2.0
95.08611	2.4
96.04493	9.3
97.06535	1.6
98.97583	1.8
99.04457	13.8
100.03995	0.7
100.07624	1.3
103.05453	2.7
104.70042	0.7
105.03395	6.2
105.04507	0.9
105.07036	6.5
106.06567	1.8
107.04945	1.3
107.07350	3.1
107.08608	1.4
108.08122	8.6
109.05205	0.8
109.06500	4.4
110.06040	6.8
110.06802	1.4
111.04455	4.4
111.06824	1.4
111.08095	1.1
112.03964	1.9
112.07625	1.6
118.06554	10.2
119.04948	4.3
119.07332	2.4
120.04460	1.5
120.05286	0.8
120.08112	17.5
121.06528	3.8
121.08908	0.7
121.10127	1.4
122.09667	2.5
123.08075	4.3
124.07591	6.2
125.05941	0.9
125.08380	1.7
125.09590	0.8
126.05513	2.8
128.07082	20.6
130.06500	1.4
133.05278	0.8
133.06494	1.2
135.06805	4.8
136.07585	53.6
137.05991	3.9
137.09593	3.3
138.05397	1.6
138.06320	1.2
138.09140	1.7
139.07527	1.2
145.02888	1.0
147.06812	4.1
148.04898	0.8
148.07571	14.6
149.06001	1.9
150.09145	100.0
151.07550	22.7
151.09436	0.9
152.08330	6.0
152.10658	4.1
154.12300	2.3
162.09142	11.5
163.07507	0.9
164.07114	1.4
165.09140	1.5
166.05891	1.5
166.08614	7.1
168.10208	1.1
176.07089	3.3
177.05524	2.1
178.08643	30.8
179.07076	1.2
180.10205	41.7
181.08574	1.0
183.06735	0.7
183.32347	0.7
193.07254	0.9
194.08131	11.0
196.09694	43.8
197.08148	3.6
197.09801	0.9
198.11244	6.4
206.03459	1.0
208.09692	26.2
208.11671	1.3
208.99872	0.8
215.03825	0.9
219.01884	0.7
226.10754	65.9
226.14447	6.0
227.11024	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03937	1.4
53.81575	1.2
55.01886	1.3
55.05524	6.3
56.90517	1.3
57.03441	2.2
59.05010	11.8
61.79717	1.0
62.41167	1.1
65.03939	1.2
67.05510	8.0
67.68771	1.2
69.03432	12.8
69.07080	10.0
70.95455	2.6
79.05500	11.8
81.07068	16.0
83.04996	7.3
83.08634	2.1
87.04082	1.0
87.04488	10.2
91.05505	11.0
93.07057	41.1
95.04981	4.2
95.08621	15.0
97.06528	4.8
101.06040	2.9
105.07045	28.4
107.08611	36.8
109.06538	10.4
109.10163	6.5
111.08090	5.0
117.07050	2.8
119.08605	20.5
121.10153	5.6
123.08099	12.5
123.11692	2.4
129.06929	1.8
131.08592	4.1
133.06491	3.2
133.10127	8.3
135.08049	1.5
135.11719	1.2
137.05983	2.6
137.09592	2.1
139.11180	5.9
141.09171	2.5
143.08565	3.5
145.10153	2.6
147.08031	4.3
147.11720	13.9
149.09648	4.4
151.07558	3.3
151.11198	100.0
156.09334	4.3
159.11670	5.7
161.09641	4.2
161.13300	17.3
163.11159	1.8
171.11696	6.5
174.10461	1.2
177.12744	4.6
179.14371	3.5
189.12775	18.2
193.19478	1.2
207.13824	95.5
222.70628	1.2
225.14848	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	226.1075
Annotation	Radicamine B
Peak:m/z	Relative Intensity
53.03957	3.2
53.30807	1.3
55.01873	3.6
55.05511	6.9
56.05032	5.2
57.03442	3.7
57.07053	2.2
57.50369	1.2
58.02979	1.4
58.06595	5.7
67.01863	15.8
67.05508	8.1
68.05019	2.0
68.50407	1.3
69.03426	5.2
69.07071	6.0
70.06594	9.5
71.05000	2.6
71.52235	1.9
72.08152	2.7
73.70181	1.4
79.05494	12.8
80.05020	3.1
80.61235	1.4
81.03411	2.7
81.05796	1.6
81.07060	13.8
82.02955	1.7
82.06590	6.3
82.07392	1.5
83.01351	4.3
83.05000	2.6
84.04510	7.8
84.08144	14.2
85.02937	1.6
85.06504	1.3
86.09696	4.6
91.05486	13.6
92.05828	2.9
93.05788	1.8
93.07045	21.2
94.02934	22.1
94.06569	6.9
95.04986	8.2
95.08616	4.9
96.04505	6.6
97.02891	3.3
97.05302	7.9
97.06541	4.3
98.06120	1.8
98.09689	12.6
98.97622	2.2
99.04463	6.1
99.83273	1.5
100.03989	2.4
103.05474	4.3
105.07027	9.6
106.06581	2.8
106.07365	2.9
107.04955	6.8
107.08592	5.7
108.08142	7.4
108.08843	1.9
109.06521	10.1
110.06052	11.8
110.09641	1.5
111.04481	1.7
111.06827	4.8
111.08105	2.9
112.03979	6.2
112.07598	4.0
117.07082	1.6
118.06563	7.8
119.04954	5.3
119.07332	2.1
119.08595	2.2
120.04519	2.0
120.05602	1.9
120.08121	25.4
120.08934	3.3
121.06496	11.8
121.08918	1.4
121.10184	3.0
122.06043	14.5
122.06813	2.4
123.04433	5.7
123.06836	2.4
123.08057	10.1
124.03944	16.3
124.07623	5.6
125.06062	1.8
126.05531	2.2
127.12350	1.8
128.03439	13.7
128.07101	3.8
128.12752	2.0
129.10277	2.8
130.05029	2.9
130.06563	1.5
134.06064	6.5
134.09647	2.8
135.04471	2.8
135.06792	2.4
135.08055	2.3
136.07582	42.5
136.08566	2.9
136.11246	5.1
137.05968	12.5
137.08723	1.7
137.09599	10.2
138.05536	2.0
138.09174	5.8
139.07588	7.1
140.07048	1.3
145.10173	2.2
145.25642	1.5
146.05994	3.1
147.06827	12.7
147.07932	1.9
148.07568	25.1
149.06030	4.2
150.05437	2.2
150.09134	49.8
151.07530	9.3
152.07085	5.1
152.08244	2.6
152.10585	7.2
153.09129	1.8
154.08662	4.2
154.12207	9.3
156.06555	7.9
156.13860	2.5
162.05536	3.5
162.09137	44.9
163.07632	4.5
163.11157	2.4
164.07054	7.9
164.10751	3.6
165.07890	8.1
165.09181	2.7
166.04980	2.5
166.08604	9.6
167.07033	7.3
167.10684	1.8
168.07474	1.6
168.10190	2.5
176.04280	1.5
176.07103	8.7
177.05519	2.6
177.07890	4.3
178.05048	4.1
178.08650	15.7
180.06596	2.2
180.10197	42.1
180.11707	2.5
181.08652	4.8
181.12239	2.5
183.06685	1.5
183.08992	1.6
190.08620	13.1
190.13089	1.4
191.07135	3.0
193.07349	19.7
193.08824	1.8
194.08214	6.0
196.09698	35.6
197.08203	1.8
198.11272	3.5
208.06595	4.3
208.09689	94.1
208.14037	5.5
208.29099	1.4
209.08078	4.4
209.12888	2.6
226.10809	100.0
226.14273	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03931	6.5
54.93812	2.5
55.01863	4.9
55.05515	19.9
57.03426	3.7
57.07060	5.0
59.04996	11.5
61.02927	49.7
67.05511	34.8
69.03436	83.9
69.07069	58.1
70.46167	2.6
70.46513	6.4
71.04993	47.6
73.06552	4.6
79.05488	34.3
81.03406	5.8
81.07063	64.3
83.04979	26.0
83.06582	2.7
83.08611	9.0
84.08129	9.1
84.84456	2.4
85.06530	5.1
87.04449	9.3
91.05491	34.9
93.06493	4.1
93.07047	67.8
95.04951	15.7
95.08609	49.1
97.06534	24.6
103.05450	4.6
105.07037	100.0
107.04954	5.9
107.08591	52.4
109.06519	69.3
109.10165	22.7
111.08070	17.7
115.07575	40.9
116.35574	2.6
117.06952	5.6
119.08584	69.3
121.06530	15.2
121.10139	62.7
122.07275	7.3
123.04422	10.5
123.08062	35.1
123.11722	13.2
125.09642	3.6
126.12769	5.5
129.06973	6.3
131.08536	8.3
133.06499	18.8
133.10139	70.1
135.08057	14.1
135.11681	11.4
137.05933	6.4
137.09618	80.3
137.13274	3.0
139.11185	17.4
141.09084	6.7
141.75211	2.4
143.08574	6.6
145.10149	18.0
147.08025	19.2
147.11693	87.9
149.09628	64.2
151.07530	26.5
151.11185	72.2
153.09019	3.4
156.09361	18.9
159.08031	15.9
159.11687	11.5
161.09627	15.4
161.13251	39.7
163.11163	22.4
165.12735	23.8
171.11708	25.4
174.10428	23.2
177.12784	13.3
179.14369	7.5
189.12730	77.4
207.13814	51.3
225.14842	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	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.03125	0.6
53.03933	2.2
55.01863	1.4
55.05515	5.0
57.03410	1.1
57.07080	3.2
57.55915	0.7
59.04988	2.5
60.73769	0.6
61.02930	35.7
65.03921	0.8
67.05186	0.8
67.05508	8.4
69.03429	11.2
69.06734	1.2
69.07074	14.1
70.06574	2.2
71.04997	17.7
72.08127	0.8
73.06570	0.8
79.05493	7.3
81.03426	4.9
81.07058	18.4
83.04980	7.3
83.08637	3.4
84.04485	1.1
84.08152	7.7
84.76847	0.6
85.02892	1.6
85.06544	1.4
86.09693	1.2
87.04470	3.6
91.05482	10.1
91.50272	0.6
93.07048	15.2
95.04978	6.3
95.08614	15.4
97.06537	7.3
97.97601	0.6
99.04454	8.9
99.08076	1.2
101.06020	1.1
101.94996	0.9
103.05469	1.6
105.03371	3.9
105.07036	27.7
107.04950	2.2
107.08595	16.0
109.05802	1.4
109.06521	20.7
109.10159	6.1
110.07174	1.8
111.04447	1.0
111.08096	4.1
113.06006	0.8
115.07565	10.4
117.07018	2.0
117.66483	0.6
119.04918	2.5
119.06084	0.6
119.08588	26.1
120.08109	3.8
120.94968	0.9
121.06522	7.0
121.10146	16.9
122.07252	1.3
123.08067	12.9
123.11721	8.0
125.05983	2.7
125.09592	1.1
127.07524	1.0
127.11153	0.8
127.12287	1.8
128.06187	0.8
129.07037	1.3
129.09142	1.0
130.07808	1.0
131.05867	0.7
131.08556	3.9
132.09349	0.7
133.06531	3.9
133.10124	10.4
135.04408	0.8
135.08026	3.0
135.11707	3.2
137.05960	2.1
137.09622	20.0
137.13229	1.3
139.07568	0.9
139.11176	1.3
141.06985	0.9
141.09059	1.6
143.08551	1.7
144.09334	0.8
145.10120	5.4
147.04448	1.2
147.08055	6.9
147.11693	30.1
149.09631	24.6
151.03896	1.9
151.07555	10.3
151.11186	20.2
156.09370	4.2
159.08063	2.3
159.11697	4.0
160.08766	0.8
161.09605	6.0
161.13261	11.1
163.11191	6.7
165.05540	1.5
165.09117	2.1
165.12761	30.1
165.14151	1.6
167.07005	0.8
171.11713	5.6
174.10414	7.5
177.12772	5.1
179.08546	0.9
179.10568	0.8
179.14259	1.3
181.12210	0.9
183.13831	1.2
189.12752	19.2
193.13271	1.5
207.08107	1.6
207.13812	25.4
208.09731	1.8
208.13416	0.7
225.09375	4.4
225.14845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.33365	0.9
52.10925	0.9
52.69617	1.0
53.03936	1.1
55.05497	3.8
56.05033	1.6
57.07074	1.6
59.05001	1.7
67.05502	10.2
68.87914	1.0
69.03419	2.2
69.07065	2.2
69.39680	8.6
70.06568	1.5
71.04999	2.7
79.05499	4.9
81.07056	8.0
83.04977	3.4
83.08680	1.5
84.04491	1.2
84.08147	100.0
85.02857	1.3
85.06543	3.0
87.04441	1.1
91.05482	6.5
93.07045	6.2
94.70444	1.0
95.04972	3.6
95.08610	41.5
96.04492	2.1
97.06514	2.5
99.04472	3.0
100.06987	2.0
100.07620	26.5
101.06059	1.0
103.26456	1.0
105.03391	2.7
105.07037	5.7
107.04933	1.3
107.08602	7.9
109.06521	10.2
109.10158	2.4
111.08092	1.5
113.06003	4.6
119.04922	8.7
119.08590	7.0
120.08131	1.3
121.06490	3.9
121.10165	5.3
123.08083	17.4
123.11732	2.6
125.05991	2.6
126.09152	9.3
127.12302	1.4
131.08560	1.0
133.06506	1.5
133.10135	1.7
135.04420	2.5
135.08076	1.5
135.11682	4.6
137.05966	6.7
137.09596	1.7
137.13277	1.8
141.09091	2.1
142.08600	7.5
145.10149	1.4
147.04399	4.1
147.08032	1.5
147.11670	5.0
149.09616	7.5
151.07545	4.0
151.11179	8.6
159.11777	1.3
161.09656	1.1
161.13271	3.7
163.11203	2.9
165.05522	7.3
165.09122	1.7
165.12715	2.4
165.13959	1.6
166.12289	8.6
167.10678	1.1
169.08522	1.1
179.07063	1.3
179.14337	2.4
180.10243	2.1
183.14992	7.4
189.12726	7.2
193.04944	1.2
207.13765	13.4
225.07550	4.0
225.12448	2.5
225.16133	26.4
235.28555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.24455	0.5
53.03957	0.7
55.01869	1.2
55.05519	5.7
57.03454	1.2
57.07086	1.4
59.05008	10.9
61.02941	1.5
65.03967	0.6
67.05513	9.0
68.15490	0.6
69.03436	11.9
69.07078	9.4
69.37235	4.0
70.99133	0.5
71.05006	1.1
79.05502	9.2
79.50558	0.6
81.03436	1.6
81.07064	14.6
83.04988	9.1
83.08617	2.7
84.08141	0.6
87.04482	10.0
91.05489	11.2
93.07055	37.0
94.13598	0.7
95.04987	6.2
95.08621	13.4
97.06542	4.9
97.10184	1.0
99.68345	0.6
101.06036	3.0
105.03426	0.8
105.07040	29.7
107.04981	1.2
107.08604	34.8
109.06525	10.4
109.10176	5.4
111.08109	5.3
113.06023	1.0
115.07579	1.7
117.07037	3.4
119.04943	1.2
119.08596	17.1
121.06515	2.5
121.10157	7.7
123.08083	11.4
123.11709	2.7
128.06262	1.1
129.07014	2.1
131.08545	2.9
132.19841	0.5
133.06514	4.2
133.10147	8.2
135.02908	0.6
135.08070	1.2
135.11679	1.3
137.05995	1.8
137.09630	4.5
137.13269	0.9
139.07556	0.7
139.11229	4.1
141.09109	2.3
143.08585	2.8
145.10114	3.3
147.08083	5.0
147.11708	13.1
149.09630	4.2
151.07701	3.0
151.11198	100.0
156.09369	4.6
159.08067	0.8
159.11694	4.4
161.09657	5.1
161.13263	15.6
161.14622	0.8
163.11191	1.5
165.09109	0.9
165.12769	2.8
171.11734	5.4
174.10457	2.0
177.12758	5.0
179.14352	1.8
189.12767	16.5
207.13826	81.3
225.14864	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.15159	0.9
53.03955	0.9
55.05503	4.1
57.03422	1.5
57.07069	1.0
59.05014	0.9
59.09117	1.0
59.16323	0.8
61.02934	39.9
63.76527	0.9
67.05515	5.1
69.03440	10.4
69.07075	12.5
71.05002	11.7
71.51476	1.2
79.05503	5.6
81.03412	3.9
81.07071	11.3
81.55933	0.8
83.04993	6.6
83.08605	2.3
91.05486	5.6
93.07053	14.6
95.04986	5.3
95.08621	9.6
97.06539	5.9
99.22965	0.9
103.05454	1.3
105.07041	22.2
107.04942	1.5
107.08610	13.0
109.05822	1.0
109.06535	18.4
109.10152	3.9
111.08084	2.0
115.07581	12.4
117.07040	2.5
119.08597	21.2
121.06551	4.4
121.10156	14.6
123.08092	12.3
123.11722	7.1
129.07011	1.6
131.08502	1.6
133.06506	3.9
133.07457	1.0
133.10161	8.0
135.08075	4.1
135.11681	2.8
137.08675	1.5
137.09628	17.3
137.13237	1.4
141.09093	1.2
142.73433	0.9
143.08583	1.9
145.10088	3.4
147.08023	5.0
147.11699	27.2
149.09637	20.9
151.07529	8.3
151.11206	15.5
156.09370	2.5
159.08083	2.1
159.11703	3.9
161.09636	5.7
161.13275	9.0
163.11221	4.2
165.12772	29.6
171.11754	4.8
174.10432	9.0
177.12845	4.9
179.14281	0.9
189.12759	15.7
207.13814	15.1
225.14876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71723	1.6
71.27745	3.1
82.99845	6.5
84.96027	1.9
92.75981	1.6
96.85190	1.8
98.97589	3.9
101.00890	61.8
116.98634	2.2
119.01925	100.0
124.02461	9.1
132.37280	1.8
137.02972	13.2
137.96547	1.7
140.98811	2.6
142.03503	62.5
142.04610	3.0
158.99895	8.0
160.04533	7.7
161.02963	33.0
165.05109	2.9
177.00975	20.5
179.04013	33.0
182.99757	3.0
184.04573	6.0
187.99323	3.2
190.49492	5.3
199.50063	10.9
201.00755	3.6
202.05591	4.8
211.00777	1.9
219.01996	25.0
220.02071	2.3
238.95503	4.1
243.01990	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	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03942	3.0
54.80600	2.0
55.01864	3.6
55.05511	13.6
57.03436	3.5
59.05005	10.9
61.02932	33.1
62.23390	2.1
67.05513	13.0
69.03096	2.1
69.03432	24.9
69.07070	38.9
71.04998	35.6
71.51615	2.1
73.06557	4.2
79.05505	24.1
81.03415	4.1
81.07059	49.8
83.04986	19.6
83.08614	7.0
84.08127	5.6
85.06581	2.9
87.04465	9.1
88.18995	2.4
91.05486	24.4
93.07047	61.7
95.04972	9.0
95.08607	33.8
95.59068	2.1
97.06522	18.8
99.04469	5.4
105.03386	4.6
105.07040	68.3
107.04987	2.8
107.08598	50.4
109.06522	44.0
109.10141	16.7
111.08087	13.1
115.07582	31.1
117.07024	6.3
119.04985	3.5
119.08595	51.7
121.06508	10.5
121.10155	38.6
122.07307	3.5
123.08081	31.1
123.11693	10.6
127.07588	2.5
128.06224	2.9
129.07005	6.2
129.09039	2.2
131.08574	8.1
133.06453	6.3
133.10149	26.5
135.08040	6.3
135.11697	10.6
137.06013	3.9
137.09619	47.1
137.13260	4.3
139.11208	3.6
141.09113	8.2
143.08569	7.5
145.10114	13.5
147.08073	15.6
147.11699	54.0
149.09610	40.5
151.07555	17.6
151.11191	100.0
156.09375	12.7
159.08031	3.9
159.11668	10.1
161.09576	12.1
161.13254	35.1
163.11226	11.6
165.09161	3.2
165.12746	20.4
167.10770	2.9
171.11700	19.4
174.10435	14.3
177.12717	11.0
179.14316	4.0
184.25650	2.1
189.09128	3.1
189.12770	52.3
199.13538	2.2
199.79637	2.3
207.13808	67.5
225.14842	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1282
Annotation	Maokonine
Peak:m/z	Relative Intensity
53.03961	0.6
55.05518	1.6
56.05038	1.0
56.96574	1.6
57.03452	1.1
58.06602	3.7
59.05000	1.6
60.04533	0.9
65.03959	0.5
67.05494	1.1
68.05042	1.8
69.03429	3.0
70.06594	2.9
70.37495	1.8
70.53764	0.5
71.04993	1.0
72.08160	2.2
73.02923	0.8
77.10173	0.6
79.05479	4.7
81.07063	0.9
82.06576	0.6
84.04540	1.2
84.08150	6.6
85.02900	2.3
86.06090	0.6
86.09708	3.7
87.04484	1.0
91.05482	7.4
93.07038	1.8
96.04500	1.7
97.02903	1.7
98.06064	1.1
98.97602	1.3
103.05469	10.8
104.05012	0.7
105.03387	0.6
105.07037	33.5
105.42101	0.5
107.04971	4.3
110.06055	0.6
110.07182	1.0
110.97583	0.8
115.03911	0.7
115.05468	1.1
116.98611	0.7
117.05742	0.8
117.06991	1.2
118.06545	15.1
118.07372	1.0
119.04942	0.6
119.07317	1.4
119.08627	0.6
120.08108	22.2
121.06507	2.2
121.08424	1.1
122.06009	0.7
123.08038	0.7
124.04028	0.6
127.03929	0.6
128.06233	4.0
129.10226	3.5
130.06508	2.9
131.04947	4.3
131.07314	2.8
131.08560	1.5
132.08099	2.5
134.05992	0.6
136.06190	1.7
136.07591	1.9
143.08572	2.8
147.04375	1.0
150.02640	0.6
151.11166	0.9
152.07063	0.6
158.09607	0.7
158.99583	0.5
160.11224	100.0
161.11620	0.7
164.07091	1.4
178.07285	2.7
178.12277	89.8
192.47412	0.5
197.55550	0.5
206.04492	1.1
206.08162	1.7
206.11772	16.5
207.13669	0.8
219.01755	0.8
224.05649	1.3
224.07764	5.2
224.12810	53.0
234.98967	0.6
237.02858	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0919
Annotation	(-)-Cytoxazone
Peak:m/z	Relative Intensity
53.03922	0.9
55.01844	0.4
56.05003	0.4
56.96551	0.3
57.03424	0.3
59.44640	0.2
60.04521	0.2
60.05634	0.2
65.03905	0.3
66.23188	0.2
67.05479	0.3
69.03429	0.5
69.07040	0.4
69.43302	0.6
69.43724	0.8
70.06597	1.1
72.08131	0.6
79.05487	0.5
81.07079	0.3
83.04984	0.5
83.06102	0.2
84.08154	2.3
85.02885	0.4
85.06526	0.3
85.08438	0.3
86.03243	0.2
86.06070	1.1
86.09703	1.3
87.04446	0.3
87.42548	0.2
91.05486	5.2
93.07049	10.0
94.07369	0.6
95.04975	1.4
96.04483	0.7
96.08099	0.2
97.06535	0.2
102.04546	0.2
103.05475	5.0
105.04506	0.4
105.07017	0.3
108.08137	0.3
109.06545	0.3
110.06039	0.2
118.06514	0.3
119.04960	1.2
120.08123	0.6
121.06508	100.0
122.06049	0.4
122.06820	1.9
123.07093	0.8
123.08007	0.3
129.10219	0.6
134.06009	0.6
135.04405	0.5
136.06226	0.3
136.07590	1.3
138.09145	0.9
146.06030	1.5
146.10529	0.3
147.04424	1.2
147.05446	0.3
150.09085	0.4
158.99579	0.2
160.12039	0.2
162.05518	0.4
164.07074	33.5
176.11502	0.2
178.07242	0.4
178.08665	0.5
183.03175	0.3
192.06541	0.3
192.10202	1.1
194.08121	0.4
196.09776	0.3
206.04674	0.4
206.08125	3.0
206.11940	0.9
208.06108	0.3
210.04016	0.3
224.05624	0.6
224.09273	8.2
224.12616	1.8
224.16475	0.4
226.04312	0.2
237.19037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.05512	10.1
57.07077	1.7
58.99581	1.1
67.05513	1.4
67.46967	0.3
69.07070	100.0
69.27905	2.6
77.00630	11.9
83.08620	1.4
88.79704	0.3
93.07034	0.4
95.01698	1.0
105.07043	0.3
111.11724	12.3
121.06533	0.5
137.09631	0.4
139.03996	0.3
146.38506	0.3
205.12587	16.6
223.13605	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	224.0779
Annotation	Erinacean
Peak:m/z	Relative Intensity
50.35787	0.3
55.01899	0.3
55.05489	0.3
56.96572	1.2
57.03446	0.6
59.73679	0.3
61.02937	0.5
61.67355	0.3
69.03428	0.5
71.05006	0.4
72.08168	0.7
73.02922	0.7
81.03860	0.3
84.04519	0.7
84.08146	2.4
85.02932	0.7
86.09708	0.6
93.36935	0.3
94.04067	0.6
97.02870	0.4
98.97580	1.6
101.00835	0.4
106.13097	0.3
108.05597	0.3
110.97581	0.8
114.85856	0.3
116.98625	0.6
119.01907	1.0
119.03579	1.1
126.12854	0.4
128.98671	0.4
129.10231	0.7
130.08618	0.4
131.01839	0.4
133.03464	0.3
133.05121	0.7
136.06187	28.0
137.04781	0.5
137.06628	5.0
142.03488	0.4
143.32860	0.3
147.04416	0.5
148.06172	5.8
149.06976	6.4
150.07770	3.6
157.05191	0.3
158.99678	0.3
161.03157	0.3
164.07089	0.4
166.53755	0.4
173.02945	0.3
174.04543	0.3
178.07248	50.6
179.07520	0.3
181.05972	0.6
185.02936	0.3
201.00804	0.5
201.04236	1.3
206.06656	0.6
219.01749	0.6
219.05182	0.4
224.07779	100.0
224.09607	4.3
225.08197	0.5
237.02773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
51.02363	2.0
53.03954	41.4
55.01878	9.9
55.05510	10.8
55.90998	1.0
56.05037	1.3
56.65788	1.0
57.03432	4.7
57.07078	1.2
59.04994	2.5
65.03944	3.5
67.05508	64.8
69.03440	6.3
69.07079	10.5
69.86193	2.0
69.86593	3.3
71.05002	5.9
73.02917	1.3
79.05495	34.7
81.03422	100.0
81.07060	72.7
83.04981	11.1
83.08617	2.9
84.08134	2.2
85.02910	2.9
85.06544	4.4
91.05490	25.0
93.07048	40.1
94.06628	1.2
95.04971	25.2
95.08612	38.8
97.02872	1.4
97.06535	5.7
98.97580	1.0
99.08107	11.7
103.05453	2.7
105.07034	19.4
107.04963	25.9
107.08599	15.3
108.30805	1.0
109.06504	8.3
109.10172	4.6
111.08082	3.8
115.05455	2.0
116.06269	1.4
117.07018	15.7
119.04961	2.5
119.08589	7.9
121.02943	1.3
121.06496	16.3
121.10152	7.2
123.04434	3.0
123.08069	40.9
123.11706	1.8
125.06003	2.3
125.09608	1.4
125.11528	2.8
126.01080	4.9
128.06186	1.1
129.07024	1.8
129.63646	1.0
131.04941	2.6
131.08566	18.1
133.06487	2.5
133.10155	7.3
135.08058	6.2
135.11700	20.8
136.06209	3.9
136.07565	2.1
137.06079	2.0
137.07945	2.4
137.09630	3.5
138.10434	3.1
139.07533	2.5
141.06978	7.8
143.08640	2.6
145.06496	19.3
145.10130	7.3
147.08035	1.7
149.02330	7.7
149.09633	3.5
149.13249	7.9
151.11194	3.9
152.10344	4.2
153.11075	6.4
154.07748	2.3
158.99648	1.3
159.08133	5.5
159.11703	17.8
163.11215	12.3
167.12653	1.7
169.10138	8.4
177.00764	1.3
177.11313	2.0
177.12781	8.8
177.16418	1.8
181.10182	1.2
187.11180	13.6
191.10672	1.1
193.10176	2.1
195.12125	7.9
195.13844	2.8
205.10515	2.2
205.12288	5.3
208.12488	1.8
223.05815	1.4
223.07672	2.3
223.09320	2.0
223.11488	13.3
223.13362	11.3
223.15079	1.8
223.16920	1.8
225.04311	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03935	0.7
55.01857	1.2
55.05275	0.4
55.05517	5.7
56.05020	0.8
57.03429	0.3
57.07066	0.5
58.63786	0.2
59.04989	1.1
61.08171	0.2
65.03950	0.4
67.05508	5.1
69.03407	1.0
69.06741	0.4
69.07076	5.9
69.15159	2.7
70.06603	0.6
71.05002	0.6
71.85040	0.3
72.93805	0.4
73.02891	0.4
79.05492	3.7
81.03427	7.9
81.07060	4.8
83.04990	1.5
83.08631	2.1
83.88950	0.3
84.08135	0.4
85.02896	0.4
85.06548	0.5
86.09679	0.3
87.08071	0.3
91.05486	2.6
93.07060	3.6
94.04182	2.9
95.04980	14.5
95.08617	2.7
97.02916	0.6
97.06508	0.9
97.10184	0.4
97.36627	0.2
98.20727	0.5
98.97495	0.3
99.08092	0.5
105.03400	0.7
105.07048	2.4
105.11090	0.2
107.04295	0.4
107.04961	4.4
107.08594	2.3
109.06506	1.5
109.10133	1.1
111.08074	0.8
117.07020	2.1
119.08599	1.8
121.06553	1.6
121.10167	1.6
121.67489	0.3
123.08070	4.0
126.01077	1.7
129.07036	0.4
131.08543	2.0
133.10129	1.4
135.08078	1.1
135.11705	1.0
136.06163	0.9
137.09615	0.5
138.10402	0.9
139.07512	0.6
143.08572	0.3
145.06541	1.6
145.10150	1.8
147.11710	0.5
149.02330	2.4
149.09618	0.6
149.13283	0.4
151.11205	1.0
159.11691	1.0
161.09636	0.5
163.11200	1.9
165.09105	0.4
173.13281	0.5
177.12708	0.9
181.10124	0.7
181.12274	0.3
182.06654	0.3
187.11147	0.3
187.60558	0.3
193.10219	0.5
205.10231	0.6
205.12238	1.9
205.15884	0.7
213.01904	0.3
223.13292	100.0
224.13533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.2
53.03948	41.2
53.99100	1.2
55.01868	10.5
55.05514	11.1
56.05032	2.4
57.03434	2.3
57.07065	3.0
59.05008	3.4
65.03923	3.4
67.05507	65.0
68.13453	1.3
69.03433	7.5
69.07078	12.9
70.06586	4.7
71.01350	1.3
71.05008	6.4
71.51951	1.5
72.55502	1.3
73.02955	1.4
74.04860	1.1
75.28268	1.2
77.03883	1.5
79.05496	38.2
81.03419	100.0
81.07059	80.8
82.99256	1.2
83.04984	16.9
83.08620	5.5
84.08135	3.1
85.02898	3.9
85.06522	3.7
87.04464	1.3
91.05483	29.0
93.07048	53.3
95.04974	32.2
95.08609	52.2
97.02892	4.9
97.06534	8.1
99.08081	3.7
103.05449	3.6
105.04536	1.6
105.07030	25.2
107.04962	33.3
107.08593	19.5
109.06519	9.0
109.10187	6.5
111.08071	6.4
115.05466	2.7
117.07009	19.6
119.04924	2.7
119.08609	8.9
119.09334	1.6
121.06509	20.1
121.10124	9.5
123.04433	4.4
123.08072	57.5
123.11702	2.8
124.91536	1.3
125.05980	2.0
125.09599	2.1
126.01093	7.6
126.59628	1.2
128.06314	1.8
129.06993	3.7
129.10143	1.6
130.00157	1.4
130.07962	1.3
131.04919	3.6
131.08575	20.9
133.06477	4.1
133.10121	9.6
135.08029	4.6
135.11693	23.0
136.06216	8.1
137.09613	3.8
137.33983	1.2
138.10385	4.2
139.07469	2.7
139.11131	2.3
141.06976	8.1
143.08563	3.0
144.09357	1.9
145.05412	2.2
145.06493	23.4
145.10132	8.3
149.02344	19.0
149.05943	2.1
149.09637	3.1
149.13263	10.5
151.07507	1.9
151.11194	5.2
154.07805	2.9
158.99612	1.9
159.08063	4.7
159.11697	22.3
161.09726	1.9
163.07510	2.0
163.11237	10.5
165.09082	2.1
167.07118	1.8
169.10141	8.8
177.00836	1.4
177.09036	1.8
177.12733	12.9
180.09457	1.3
181.12228	5.3
187.11208	16.2
193.10168	4.7
195.13641	2.0
205.06818	1.4
205.10492	1.8
205.12227	9.9
206.08920	4.1
208.12469	1.7
223.05783	3.1
223.07646	5.3
223.09467	2.3
223.11273	4.3
223.13307	16.7
223.15132	2.3
223.16943	4.9
225.04277	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1078
Annotation	Phe-gly
Peak:m/z	Relative Intensity
51.02384	0.2
54.22729	0.2
55.05515	0.4
56.05048	0.2
57.03425	0.2
60.04534	0.3
61.02921	0.2
67.05519	0.2
69.03419	0.4
69.07068	0.3
69.50710	1.2
70.06593	1.6
72.08144	1.4
73.02924	0.3
79.05497	0.3
80.05016	0.2
81.07047	0.2
83.04990	0.3
84.04504	0.3
84.08153	1.8
84.87338	0.2
85.02908	0.5
85.92210	0.2
86.06084	0.2
86.09714	1.6
91.05500	0.7
93.07060	1.1
95.04993	0.2
96.04429	0.2
97.02879	0.3
103.05465	3.2
107.04964	1.4
110.07193	0.3
116.07103	0.3
119.08603	0.2
120.08109	100.0
121.06489	0.5
121.08440	0.3
123.08072	0.3
125.09613	0.2
129.10237	1.2
129.11086	0.2
131.04933	2.0
134.06012	0.7
136.06183	3.2
143.11797	0.2
145.06464	0.2
146.09612	0.3
148.07474	0.3
149.02354	0.5
149.06000	1.9
149.07129	0.3
154.01746	0.2
158.53841	0.2
161.92902	0.2
166.08641	36.2
172.21107	0.2
174.09119	0.2
175.11948	0.5
176.45399	0.2
177.10245	13.5
178.08629	0.2
180.10182	0.5
191.11742	0.3
200.92897	0.2
205.09787	0.4
206.04469	1.3
206.11659	0.3
223.06114	0.3
223.07228	0.3
223.08986	0.5
223.11078	3.2
223.13414	0.2
223.18063	0.8
224.05586	0.9
225.04259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
51.02368	2.3
53.03949	42.8
55.01677	1.0
55.01880	11.5
55.05515	11.2
56.05038	3.1
57.07072	2.3
59.04992	3.0
59.90697	1.1
65.03937	3.8
67.05506	66.1
69.03432	11.1
69.07064	11.3
69.93807	1.9
69.94213	4.7
70.06583	3.2
71.04990	5.5
73.06580	1.7
77.03926	1.8
79.05495	38.6
81.03420	100.0
81.07058	76.7
83.04984	17.1
83.08621	7.4
84.08149	2.2
84.64053	1.0
85.02898	2.4
85.06541	4.7
86.09711	1.3
91.05482	27.8
93.07043	45.1
95.04967	29.4
95.08608	46.6
97.02885	5.9
97.06524	8.2
97.10190	1.2
98.97551	1.5
99.04440	1.6
99.08094	2.6
103.05449	2.9
105.07034	22.5
107.04959	30.6
107.08614	16.3
109.02841	1.2
109.06502	7.5
109.10175	7.6
109.10840	1.0
111.04408	1.7
111.08100	6.5
113.06051	1.7
115.05447	3.4
117.07016	16.9
119.04989	1.6
119.08579	8.5
119.50899	1.4
120.08867	1.2
121.02898	2.2
121.06516	16.8
121.10133	7.2
123.04430	4.4
123.08071	54.0
124.85537	1.2
125.06003	4.1
125.09660	1.4
126.01082	10.0
128.06227	2.2
129.07028	2.1
130.07788	2.2
131.04933	2.3
131.08560	16.5
133.06485	3.4
133.10141	8.6
135.08064	7.4
135.11687	29.3
136.06184	6.6
137.09596	3.5
138.10405	4.9
139.07518	3.2
139.11205	2.8
141.06995	8.4
143.08549	4.9
144.09352	3.2
145.06476	20.7
145.10106	8.9
147.11684	2.1
149.02351	23.9
149.05974	1.7
149.09628	2.9
149.13278	8.3
151.07616	1.5
151.11197	4.3
153.09206	1.4
153.12758	2.4
154.07790	1.9
155.06065	2.1
157.10190	1.5
159.08067	3.6
159.11714	20.3
163.11189	9.5
163.14845	1.3
165.06941	1.8
165.09138	2.4
167.07043	2.7
167.08447	1.6
169.10156	9.6
177.00702	1.4
177.12730	12.3
178.07220	1.1
180.10205	1.2
181.10109	2.0
181.12210	7.2
182.12679	1.2
187.11174	13.2
195.13799	1.9
205.06937	3.2
205.10527	1.8
205.12277	8.6
205.16005	1.7
223.05904	3.0
223.07690	5.4
223.09538	1.7
223.11229	3.4
223.13298	18.0
223.15102	2.7
223.16953	3.2
223.20538	1.2
225.04311	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	222.1491
Annotation	Lucidulinone
Peak:m/z	Relative Intensity
51.58776	0.8
53.03964	1.0
55.01861	2.5
55.05501	3.3
56.05021	2.7
56.96568	1.8
57.07067	1.7
63.02166	0.8
65.03922	1.3
67.05505	12.0
68.05009	2.3
69.03436	9.2
69.07052	3.9
70.06593	21.2
70.62994	2.3
71.04996	80.3
72.08137	0.8
74.06041	0.9
79.05067	1.3
79.05495	16.6
80.01357	0.9
80.04987	1.3
80.05803	0.9
81.03392	2.4
81.07047	8.1
82.06576	3.2
82.07396	2.0
83.04984	2.0
84.08123	3.8
85.02895	1.8
86.06069	11.3
86.09721	0.9
88.47356	0.8
91.05479	11.3
92.05015	1.8
92.05758	0.9
93.07047	10.9
94.06559	1.5
94.07346	2.2
95.04967	6.1
95.08606	6.3
96.04485	3.2
96.08108	6.6
96.08924	1.1
97.06507	1.3
98.06053	10.7
98.09694	2.1
98.97589	8.9
99.16284	0.9
100.07623	27.6
105.07040	7.1
106.06538	1.8
106.07340	2.7
107.04944	1.6
107.08605	12.7
108.04449	2.2
108.08170	1.2
108.08894	1.7
109.06508	3.5
109.09556	0.8
109.10172	7.3
110.06021	4.6
110.09695	1.3
110.10487	1.1
111.04407	0.9
116.98623	5.8
117.07029	7.5
119.07254	1.1
119.08577	8.8
120.04442	1.4
120.08136	4.0
120.08839	1.2
121.02834	1.3
121.06519	8.6
121.10175	1.9
122.06026	1.6
122.10423	1.9
123.04405	1.9
123.08080	3.0
124.07607	5.4
124.11213	1.3
124.12039	1.4
124.19170	0.9
125.09622	1.1
125.10733	1.2
126.09117	1.3
129.46556	0.8
132.08040	1.2
133.06392	1.1
133.08879	1.1
133.10112	1.8
134.06007	1.0
134.09633	10.0
134.10484	1.0
134.99629	3.0
135.08058	66.5
136.06136	1.5
136.11194	7.8
136.12073	1.3
137.05898	0.8
137.09622	21.6
140.00215	1.3
145.10104	1.0
146.09607	2.5
147.10426	1.9
147.11621	1.8
148.07515	1.7
148.11125	2.3
148.12141	1.2
149.02299	1.0
149.06024	1.0
150.09184	1.2
151.11191	1.5
152.10696	20.9
154.12270	1.0
158.01265	2.5
162.05472	0.9
162.09128	7.4
162.13631	1.7
164.07019	1.1
164.10722	2.4
167.03423	1.1
174.12840	5.4
176.10619	5.0
176.14272	12.6
177.12732	3.5
178.12221	1.1
179.09464	1.3
180.10213	5.5
190.05075	0.9
194.15433	2.1
204.13821	38.6
204.18250	3.3
205.12215	3.7
212.74260	0.8
222.11394	3.6
222.14880	100.0
222.18631	5.4
223.13242	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	222.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01882	0.2
56.05032	0.1
56.96565	0.2
57.03436	1.3
69.03400	0.1
69.07068	0.2
70.06596	1.0
71.26392	0.1
72.08151	0.4
75.47993	0.1
77.03935	0.3
79.05495	0.3
81.03425	0.1
84.04514	0.4
84.08154	1.3
85.02908	13.2
86.09724	0.8
87.04440	0.2
91.04910	0.1
91.05482	3.8
93.07047	7.2
95.04969	0.8
96.08134	0.2
97.02876	0.1
97.06506	0.2
98.97594	0.3
102.05541	0.4
103.05472	4.6
105.04523	0.5
107.04966	0.2
107.08581	0.1
109.06532	0.1
110.07176	0.3
113.07141	0.1
116.98610	0.1
119.04948	0.7
120.08120	0.5
121.06508	100.0
122.06847	0.4
124.12838	0.1
129.10219	0.3
130.06482	0.1
134.06017	0.2
134.09677	0.3
136.06229	0.2
136.07587	0.4
138.09143	16.4
144.04523	0.1
147.04399	2.2
148.11244	0.1
160.07581	0.1
162.05507	0.4
164.14346	0.1
172.03882	0.3
176.05238	0.1
176.07077	0.2
176.09154	0.1
189.53894	0.6
190.01469	0.2
198.54378	0.4
200.61496	0.1
201.04671	0.1
201.29958	0.1
204.06674	0.7
204.08267	0.2
204.10201	4.4
221.62065	0.3
222.07652	0.7
222.11253	12.3
222.14771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01870	1.4
55.05498	3.4
56.05018	1.1
56.96554	1.3
57.77999	0.7
65.03939	3.2
66.39998	0.7
67.01603	0.6
67.01868	5.7
67.05505	4.0
68.58487	0.7
69.03413	1.1
69.07067	4.8
69.85003	1.5
69.85419	2.3
70.06573	2.4
79.05497	9.7
80.05014	3.7
80.05801	0.8
81.07065	5.9
82.02930	2.8
82.06603	1.1
82.07374	2.3
83.04973	1.2
84.08144	1.5
85.06558	1.8
88.39146	0.7
88.44610	0.7
90.33070	0.7
91.05487	23.4
92.04987	3.5
93.05806	4.9
93.07048	13.5
94.02917	0.9
94.06567	5.3
95.04960	2.8
95.08625	4.1
96.08117	1.5
96.08932	2.0
98.97590	7.8
103.05455	2.8
104.04991	0.7
105.03398	2.4
105.05809	1.4
105.07028	8.2
106.06545	6.9
106.07257	1.9
107.03706	1.0
107.04936	3.0
107.08617	6.0
108.04451	2.8
108.08109	5.6
108.08916	2.0
109.06502	1.6
109.10146	2.2
110.06048	4.6
110.10478	1.3
115.05471	12.7
116.98620	5.0
117.07022	48.4
118.06582	3.9
119.04926	0.8
119.07358	9.4
119.08579	17.2
120.04472	14.6
120.08092	6.2
120.08911	1.8
121.05216	1.4
121.06503	7.8
121.10152	1.6
122.06026	1.3
122.10484	2.7
123.08085	1.0
124.07557	1.6
124.12061	1.2
126.05504	1.4
129.06964	1.5
131.04921	1.3
131.08578	0.9
132.08130	3.6
133.05209	4.1
133.06412	1.6
133.10146	1.4
134.06029	10.8
134.09656	100.0
134.99654	2.4
135.08034	1.5
135.10329	0.8
135.11694	1.1
136.03952	2.6
136.07582	1.2
136.12033	1.6
137.05995	2.1
138.05492	6.5
139.06281	1.1
140.00212	1.3
140.07013	0.9
144.08070	3.5
145.06508	11.8
146.06035	1.0
146.07205	1.7
147.06781	7.5
147.08023	5.1
148.03929	11.9
148.07573	2.8
148.12080	1.7
149.09624	17.3
151.11111	1.0
152.07086	9.4
153.07834	1.0
154.05029	3.8
158.01289	3.2
160.07603	1.2
161.04636	1.1
161.08287	0.9
162.05547	4.9
162.09146	68.7
163.07523	1.0
165.05490	1.8
165.09001	1.0
166.05011	2.2
167.05737	1.9
168.06641	0.9
172.07552	1.6
173.05975	12.6
176.10730	1.1
176.15149	1.0
177.05460	3.3
177.09145	4.9
178.16747	0.8
180.06551	3.5
180.10170	4.1
184.05965	1.8
189.07887	1.1
190.05000	2.2
190.08647	35.4
194.11772	23.5
204.10223	3.0
204.18304	2.7
205.06837	1.2
205.08618	17.0
222.07797	1.6
222.11249	32.1
222.15588	2.9
222.19142	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.33315	0.3
53.00306	0.4
53.03945	1.6
55.05263	0.6
55.05514	7.0
57.03436	0.6
57.07066	2.6
57.64047	0.3
59.05010	0.9
63.11178	0.4
65.03929	1.0
66.04728	0.3
67.05177	0.6
67.05508	6.3
69.03422	0.4
69.06726	0.7
69.07071	6.9
69.07429	0.7
70.32693	0.9
70.33044	0.7
71.04996	14.8
71.08625	0.5
76.05084	0.3
79.05497	14.6
80.71737	0.4
81.07058	59.9
83.04977	1.5
83.08618	3.0
85.06547	0.9
88.49545	0.4
91.05479	9.5
93.07047	29.0
95.04967	1.1
95.08612	18.9
97.06535	1.2
97.10169	1.7
98.76077	0.4
99.08104	4.3
103.05460	0.6
105.07034	20.3
107.08598	50.6
107.70629	0.5
109.06509	2.9
109.10160	15.5
111.08073	1.3
111.11734	0.8
113.09643	1.0
117.07006	1.0
119.08584	33.5
120.09416	0.7
121.06529	0.6
121.10150	5.6
123.08070	1.5
123.11708	14.7
125.09614	1.2
125.50925	0.4
127.11195	7.3
127.12123	0.4
131.08546	0.9
133.06480	0.4
133.10136	20.7
135.11694	100.0
137.05904	0.7
137.09621	2.2
137.13222	2.3
139.11223	0.7
141.12750	0.4
141.25212	0.3
145.10098	2.1
147.08104	0.5
147.11691	14.7
149.02347	1.2
149.13261	5.1
151.11165	1.5
153.12766	0.5
159.11676	0.8
160.12416	0.8
161.09605	0.7
161.13266	10.4
163.03909	0.4
163.14830	2.8
165.12758	1.4
175.11276	0.4
175.14883	2.4
177.16396	1.3
179.14281	0.4
189.32961	0.4
193.19492	0.4
203.10822	0.7
203.17958	28.0
204.18445	0.4
211.63200	0.4
218.11186	0.4
221.11748	1.5
221.15442	1.3
221.19006	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1903
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00312	0.6
53.03941	1.4
55.05520	6.3
57.07074	2.3
59.05010	0.9
60.08037	0.6
65.03956	0.9
67.05515	5.9
69.07068	6.3
71.04996	14.3
71.25384	0.8
71.52077	0.6
79.05505	13.6
81.07061	57.1
83.04984	1.9
83.08620	3.0
85.06566	0.7
87.20271	0.6
91.05484	8.2
91.25209	0.7
93.07051	31.7
95.05004	1.0
95.08611	18.1
97.06535	1.8
97.10201	1.2
99.08085	3.9
105.07037	18.4
107.08602	49.4
109.06523	2.0
109.10165	14.7
111.08054	0.8
111.11758	0.8
113.09702	0.9
117.07032	0.7
119.08590	34.3
121.10153	5.2
123.08059	0.7
123.11720	14.3
125.09680	0.8
127.11188	5.7
131.72169	0.6
131.87819	0.7
133.09138	0.9
133.10146	21.9
135.11702	100.0
137.05966	0.7
137.09634	1.6
137.13245	2.1
139.49266	0.7
145.10117	2.0
147.11705	14.8
149.13257	4.4
151.11192	1.4
153.12712	1.0
159.11757	0.6
161.13263	8.7
163.14850	2.7
165.12729	1.3
175.14853	1.3
177.16446	1.1
203.17979	26.8
221.11774	1.0
221.19026	28.4
237.75537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.04839	0.5
50.32704	0.5
53.00301	0.5
53.03952	1.2
55.05512	6.2
57.07071	2.3
61.91357	0.5
65.03951	0.6
67.05508	5.8
69.06731	0.6
69.07075	6.8
71.04997	14.8
71.37456	0.8
73.06578	0.5
79.05498	15.0
81.07060	59.4
83.05001	0.7
83.08619	3.8
87.08130	0.6
91.05492	5.9
93.07047	27.6
95.04980	1.0
95.08611	15.8
97.06528	1.0
97.10124	0.7
99.08107	4.3
105.07036	16.1
107.08600	53.0
109.06515	1.7
109.10159	14.7
111.08121	0.7
113.09659	0.7
114.65687	0.5
117.06982	0.9
119.08587	31.6
121.10149	5.4
123.08115	0.6
123.11713	14.9
125.09608	0.9
127.11206	7.1
133.10139	19.2
135.11697	100.0
137.09621	1.4
137.13255	1.8
145.10117	1.5
147.11693	12.5
149.13254	4.7
151.11154	1.5
153.12790	0.9
159.11716	0.6
160.12527	1.2
161.13261	8.8
163.14856	2.7
165.12766	1.4
175.14845	1.2
177.16385	1.1
193.95636	0.5
203.17970	27.0
221.19006	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1903
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03934	1.4
55.05526	7.5
57.07075	1.6
67.05243	0.9
67.05518	9.1
67.51097	1.0
69.07079	7.2
70.75648	2.4
70.75985	1.3
71.05003	28.5
73.06535	1.9
75.63880	1.0
79.05505	18.6
81.07068	100.0
83.04993	3.8
83.08626	2.3
85.06550	1.7
91.05500	10.0
93.06500	2.4
93.07062	40.8
95.04971	1.9
95.08617	27.4
97.06540	3.1
97.10143	1.8
99.08099	2.9
105.07042	39.6
107.08605	52.5
108.03460	1.1
109.06514	1.8
109.10172	26.3
111.11742	1.2
113.09666	2.8
117.07043	1.8
119.04926	1.1
119.08595	71.1
121.06498	1.8
121.10150	6.6
123.11727	13.0
127.11210	12.7
131.08551	1.1
133.10147	22.3
135.11713	89.8
137.05992	1.2
137.09639	1.5
137.13358	1.4
144.09363	1.3
145.10143	1.7
147.11703	23.7
149.13261	9.6
151.11185	1.5
152.16855	1.1
159.11723	1.5
161.09631	2.4
161.13301	10.4
163.14806	2.8
174.78609	1.1
175.11214	2.2
175.14778	2.4
177.16367	1.7
203.10693	1.3
203.17984	36.8
216.38710	1.1
221.11794	6.5
221.19020	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03948	1.3
55.05513	6.1
56.96572	0.6
57.03424	0.4
57.07078	2.2
59.05003	1.0
60.96452	0.3
65.03932	0.6
67.05505	4.8
69.03438	0.7
69.07072	7.4
69.36823	2.5
71.04997	11.4
71.08634	0.3
77.03914	0.3
79.05495	13.2
81.07060	48.3
82.81718	0.3
83.04997	1.2
83.08620	3.6
85.06553	0.9
91.05481	6.8
93.07048	27.9
95.04974	1.1
95.08611	17.0
97.06548	1.4
97.10163	0.8
99.08099	4.4
105.04623	0.4
105.07034	16.1
107.08598	51.8
109.06500	1.9
109.10162	14.3
111.08080	1.6
113.09695	0.8
117.07064	0.8
119.06091	0.9
119.08585	29.8
121.06518	0.6
121.10142	5.3
123.08063	0.9
123.11709	14.2
125.09650	0.9
127.11201	5.6
131.08563	1.0
133.06497	0.4
133.10138	21.4
135.11696	100.0
137.09637	2.5
137.13260	1.9
139.11201	0.5
145.10143	2.0
147.09186	0.5
147.11690	14.3
149.13263	3.9
151.11205	1.9
153.12772	0.7
159.11667	0.8
160.12471	0.7
161.09686	0.7
161.13269	10.0
163.11229	0.9
163.14799	2.5
165.09206	0.6
165.12802	1.5
175.11234	0.5
175.14850	1.9
177.16364	1.2
179.14342	0.5
203.17967	29.4
221.11809	0.8
221.15712	2.4
221.19016	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.85505	0.6
53.08921	0.8
55.01875	7.3
55.05513	9.8
57.07078	3.6
59.04993	1.8
65.03946	0.7
67.05505	23.6
69.03436	1.2
69.07068	48.8
70.06593	1.0
70.69851	2.2
70.89440	0.6
71.04981	2.0
77.03925	0.8
79.05492	12.9
81.07056	61.7
83.04973	2.4
83.08614	7.1
85.02860	1.3
85.06543	1.8
88.00423	0.7
91.05478	13.0
93.07046	24.9
95.04970	4.1
95.08606	100.0
97.06531	14.4
97.10159	3.7
97.13215	0.7
98.97610	1.0
99.08131	0.7
101.06062	0.8
105.04516	1.2
105.07030	28.4
107.08590	25.5
109.06537	4.1
109.10153	38.2
111.08076	2.2
111.10944	1.2
111.11713	23.8
117.06991	1.6
119.08577	16.8
121.06488	2.6
121.10145	23.0
123.08069	32.3
123.11703	11.9
125.09622	7.7
127.11156	0.9
129.06996	1.2
131.08572	2.4
133.06456	1.4
133.10120	14.3
135.08078	2.5
135.11702	6.6
137.05971	1.1
137.09610	7.6
137.13292	4.6
139.11192	2.2
143.08554	1.4
145.10121	1.9
147.08044	2.8
147.11685	20.6
149.09631	0.8
149.13243	2.2
151.07555	8.9
151.11160	4.4
159.11661	1.4
161.09590	3.7
161.13266	10.2
161.29071	0.9
163.11157	2.1
163.14824	5.9
165.05522	0.8
165.09099	1.8
165.12732	1.9
175.11142	1.4
175.14836	7.0
177.16373	1.7
178.07698	1.1
178.12242	1.0
179.10704	1.4
179.14307	2.6
185.13208	2.1
191.08533	5.5
193.10191	1.4
193.19469	1.3
203.10692	2.1
203.14310	6.6
203.17952	64.4
205.10078	1.7
206.10898	24.2
206.16214	1.2
215.02299	0.7
221.13234	26.6
221.15390	14.1
221.18985	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03947	2.4
53.37048	1.0
53.53955	1.4
54.55984	1.1
55.01875	1.5
55.05517	12.2
55.52478	1.0
56.96566	1.2
57.03424	1.1
57.07063	4.2
59.04989	1.8
63.85114	1.2
65.03934	1.8
67.05508	29.3
69.03419	3.9
69.07076	20.1
71.04970	4.7
71.08660	1.2
73.05392	1.0
79.05080	1.4
79.05499	20.1
81.07060	54.6
83.04969	4.0
83.08623	10.3
84.08141	1.3
85.06542	2.6
86.09686	1.3
91.05479	19.3
93.07050	44.0
93.07640	2.3
95.04951	4.4
95.08613	100.0
97.06526	6.7
97.10168	4.8
98.97576	1.7
99.08047	1.6
105.04439	1.1
105.07037	40.9
107.04993	1.9
107.08602	48.1
109.06554	6.0
109.10166	44.1
111.08099	6.2
111.11703	3.8
113.09664	1.1
117.07010	3.0
119.08592	36.2
121.06500	3.0
121.10158	26.4
123.04459	1.7
123.08059	4.0
123.11718	12.1
124.11290	1.4
125.09631	2.6
129.06972	1.5
131.08565	2.7
133.06496	1.9
133.10133	24.4
135.08009	1.1
135.11693	11.7
137.05963	2.4
137.09590	2.9
137.13251	4.6
139.11174	2.4
143.08577	3.8
145.10100	3.8
147.04443	1.8
147.08031	2.2
147.11694	38.9
148.38332	1.1
149.13274	4.2
151.11176	2.4
157.10153	1.5
159.11667	2.6
161.09628	4.7
161.13268	21.5
163.14824	16.9
165.09096	2.8
165.12784	3.5
175.11197	4.3
175.14832	10.8
177.16364	3.5
179.14348	2.2
185.13239	3.4
192.95142	1.0
198.50288	1.1
201.26077	1.3
203.03358	1.1
203.10719	2.1
203.14319	4.8
203.17969	75.4
206.10872	2.3
221.07538	1.5
221.09572	2.4
221.11656	8.3
221.13455	3.5
221.15370	16.0
221.18996	39.4
242.19519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03934	1.8
55.05510	8.6
55.11889	0.9
56.69770	0.9
57.07071	3.1
57.79881	0.9
62.26645	0.9
65.76740	0.9
67.05510	8.5
69.03399	1.1
69.07072	8.3
69.46078	6.9
71.04670	1.1
71.04999	15.5
79.05496	15.3
81.07059	64.4
82.60448	0.8
83.04966	2.4
83.08624	4.5
85.02899	0.9
91.05489	10.3
93.06491	1.8
93.07047	31.6
95.04978	1.6
95.08611	22.1
97.06502	1.8
97.10165	1.7
98.20755	1.5
99.08082	3.8
105.07033	19.9
107.08598	54.9
109.06512	1.9
109.10160	18.7
111.08086	2.1
111.11718	1.0
117.06982	1.7
119.08585	36.2
121.06506	2.5
121.10148	8.2
123.08046	2.3
123.10958	1.4
123.11721	15.7
125.09619	2.1
127.11189	6.4
133.10143	21.7
135.11696	100.0
137.09613	3.0
137.13260	3.3
139.11131	1.8
145.10132	2.6
147.08128	1.0
147.11699	15.9
149.06003	3.0
149.13283	6.7
151.11147	2.9
161.09596	1.2
161.13280	10.5
163.14827	2.6
165.12738	1.7
175.11128	1.3
175.14796	2.5
177.16368	1.5
203.10715	1.5
203.17957	34.3
221.11757	3.2
221.15445	2.7
221.19002	31.4
221.21109	2.1
243.27681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03955	1.8
55.05515	9.0
57.07062	3.6
59.05004	1.1
67.05509	5.4
69.07072	5.5
70.76943	2.0
70.77277	1.4
71.04997	11.9
71.08595	1.1
79.05153	0.9
79.05505	12.7
81.07061	45.5
83.04972	3.3
83.08624	5.4
91.05480	8.8
93.06483	2.1
93.07044	26.9
95.04977	1.7
95.08614	16.6
97.10138	1.4
98.71238	1.3
99.08092	3.3
100.07672	1.0
105.07034	13.6
107.08604	54.2
109.06537	2.5
109.10173	15.0
111.08054	1.0
117.07047	1.0
119.06099	1.0
119.07727	1.0
119.08585	20.6
121.10123	7.1
123.08038	1.8
123.11713	15.0
125.09632	1.6
127.11192	4.3
133.10144	21.6
135.11702	100.0
137.09601	2.9
137.13255	1.9
139.11201	2.0
145.10165	1.4
147.11722	12.7
149.13246	3.3
149.67607	1.0
151.11176	3.5
159.11716	1.4
161.13264	8.6
163.14803	4.2
165.12785	2.1
175.14821	2.8
203.17970	27.3
221.15506	1.3
221.19014	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03938	1.7
53.96313	0.8
55.05515	9.6
56.18688	0.8
57.07067	2.5
64.91138	0.7
65.03933	1.4
67.05515	7.2
69.03419	1.7
69.07066	7.6
69.35907	6.7
71.05000	12.6
73.06560	1.4
77.03944	1.1
77.89571	0.8
79.05498	19.2
81.07059	64.6
83.05000	1.6
83.08607	3.8
85.06551	2.0
91.05477	9.9
93.07049	30.0
93.07645	1.5
95.04957	2.4
95.08611	18.4
97.06508	1.1
97.10166	2.6
99.08102	4.2
105.07037	20.8
107.08598	56.1
109.06512	2.7
109.10162	15.3
111.08047	1.6
119.08588	25.4
121.10145	7.8
123.08048	2.1
123.11698	13.3
124.91123	0.8
125.09627	1.1
127.11199	5.3
129.06955	1.0
131.08592	1.7
133.06514	0.9
133.10143	21.4
135.11697	100.0
137.09613	2.8
137.13290	1.7
138.51024	0.9
139.11264	1.0
145.10123	2.9
147.08083	1.4
147.11688	27.8
149.13264	8.1
151.11206	2.0
159.11679	1.4
161.09651	4.0
161.13271	11.8
163.14818	2.5
165.12729	1.6
172.68970	0.9
175.14853	1.7
203.14249	1.0
203.17957	27.5
221.11699	2.7
221.15431	3.4
221.19006	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1539
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03934	0.6
55.01889	1.4
55.05521	4.5
56.96566	1.0
57.07070	2.2
59.04998	0.9
61.08926	0.6
67.05515	5.3
69.07073	8.6
70.30715	2.2
71.04984	1.6
79.05492	4.4
80.28936	0.5
81.07063	12.5
83.04966	2.1
83.08624	3.7
85.02911	5.6
85.06552	0.7
85.41505	0.5
91.05476	4.3
93.07055	9.1
95.04950	1.9
95.08070	0.9
95.08617	13.2
97.06503	1.3
98.97597	1.3
105.07039	9.4
107.08606	9.1
109.06533	5.1
109.10172	6.5
110.48660	0.7
111.08096	1.6
116.98579	0.7
119.04939	0.9
119.05984	0.7
119.07828	0.8
119.08597	13.4
121.06490	2.0
121.10159	8.8
123.08079	7.0
123.11723	3.5
125.05979	1.1
125.09633	1.6
129.06950	0.6
131.08528	1.7
133.06479	1.3
133.10143	20.6
135.08064	1.4
135.11703	5.6
137.05957	2.0
137.09596	3.4
137.13263	1.7
143.08527	1.2
145.10123	3.8
146.10889	1.0
147.04448	1.3
147.08018	2.5
147.11694	5.7
151.07559	16.8
152.08250	0.7
157.10112	1.7
159.11684	2.3
161.09642	1.7
161.13272	31.4
162.13670	0.6
163.11201	2.2
163.14879	1.1
165.05461	1.1
165.09126	5.3
170.10915	0.9
175.11258	1.1
175.14847	3.2
177.12881	0.7
177.16425	3.1
179.14313	4.4
185.13245	2.1
191.08583	0.7
196.96263	0.7
203.10651	1.6
203.14276	4.5
203.18010	4.9
206.11023	1.5
206.16158	0.9
221.11751	4.2
221.15364	100.0
221.18954	6.1
222.15698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1903
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.45420	0.6
53.03946	1.6
55.05516	7.8
55.94088	0.6
57.03424	0.7
57.07083	2.5
59.04988	1.7
62.89582	0.8
62.91396	0.6
65.03916	0.8
67.05510	6.9
67.83640	0.6
69.07072	7.3
69.61376	4.3
71.05000	12.3
75.35770	0.6
79.05069	1.3
79.05499	15.7
81.07059	65.1
81.51277	0.6
83.04964	1.4
83.08627	4.4
85.06567	1.2
91.05484	6.8
93.07050	30.8
95.04956	1.7
95.08609	24.9
97.06536	1.9
97.10168	1.4
98.20769	1.3
99.08092	4.8
105.07038	19.4
107.08601	55.0
109.06534	3.0
109.10163	16.2
109.11268	0.7
111.08093	2.0
113.09560	1.0
116.23694	0.7
117.07038	1.0
119.08584	32.6
121.10146	6.8
123.08043	1.2
123.11725	15.0
125.09623	1.3
127.11194	7.0
133.10144	20.7
135.11697	100.0
137.09616	2.0
137.13275	1.8
139.11279	0.8
143.01942	1.3
145.10097	2.2
147.11688	15.6
149.13284	5.2
151.11189	2.8
159.11723	1.2
161.13287	10.1
163.14815	4.1
165.12714	1.2
175.14790	2.2
177.16403	1.6
203.17966	32.2
221.11714	1.8
221.13626	3.7
221.15468	1.7
221.19002	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	221.1175
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03937	2.3
55.01870	2.5
55.05277	1.0
55.05516	13.2
56.96548	1.3
57.03418	1.6
57.07058	3.9
59.04996	1.6
65.03929	2.1
67.05504	13.0
69.03446	7.8
69.07075	10.3
69.80443	2.9
69.80844	2.4
70.06584	2.5
71.04999	5.3
73.02899	1.2
74.62539	0.9
79.05500	12.2
81.03412	1.7
81.07059	37.7
83.04985	55.0
83.08608	3.9
84.08145	2.1
85.02902	2.1
85.06541	6.5
91.05484	24.4
93.07050	44.3
93.07639	2.4
95.01311	3.6
95.04978	8.0
95.08611	28.5
97.02891	1.2
97.06528	4.5
98.21439	1.3
99.04476	1.5
99.08088	2.4
103.05449	1.2
105.03361	1.1
105.04520	1.5
105.07035	46.0
107.04969	5.2
107.08593	28.8
108.05734	1.0
109.06519	14.1
109.10161	19.4
110.07203	1.5
111.04444	10.7
111.08061	4.9
113.09633	1.3
115.05447	2.7
117.07057	5.9
117.33806	1.1
119.04961	12.1
119.05844	1.5
119.08588	35.4
121.06511	13.4
121.10145	14.9
123.04452	2.9
123.08052	8.4
123.11697	7.6
124.11253	1.6
125.09611	3.5
127.11186	1.4
128.06183	1.2
129.06996	6.1
131.08592	7.1
133.06503	9.0
133.10136	51.2
135.08044	6.8
135.11690	19.8
136.08830	9.1
137.05983	23.0
137.09598	7.7
137.13335	1.6
139.11179	1.7
140.51642	1.2
141.05455	1.6
141.06956	1.1
142.07777	8.4
143.08565	4.1
144.09357	2.6
145.06503	3.4
145.10135	3.4
146.07253	2.4
147.04437	6.6
147.08131	6.7
147.09056	1.4
147.11694	32.3
149.02319	2.6
149.09625	2.4
149.13205	2.9
151.07532	2.7
151.11136	1.6
157.06529	1.1
157.10130	12.4
159.08081	1.5
159.11708	7.0
160.08862	6.0
161.06027	6.0
161.09625	59.2
161.13275	8.5
163.07506	1.4
163.11174	1.5
163.14767	3.7
165.05484	10.8
165.09126	2.8
165.12772	2.0
175.07521	3.6
175.11189	40.5
175.14786	6.5
177.09093	1.7
177.12761	1.6
177.16443	2.6
178.12315	1.5
179.07133	1.4
179.10664	3.8
185.09576	3.5
185.13229	3.2
188.08368	5.5
193.12273	4.1
193.15912	10.0
203.07198	1.7
203.10675	47.4
203.14201	5.3
203.17963	19.7
206.37837	1.2
221.11722	100.0
221.15352	13.3
221.18939	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25148	0.5
55.01862	1.0
55.05532	0.8
57.07066	6.3
59.05008	4.1
67.05506	5.9
67.90915	0.7
69.07074	5.1
70.02954	5.4
70.09358	2.9
72.04520	16.7
73.02908	3.3
74.02428	1.3
76.22045	0.6
81.07066	0.8
83.05003	1.3
83.64075	0.7
85.06551	11.1
86.09717	2.0
87.08118	2.1
90.05559	100.0
95.04964	6.5
96.08124	1.4
98.02421	15.8
98.71060	0.7
100.03983	2.0
103.07577	7.8
113.06018	3.1
116.03460	13.0
124.07592	19.2
130.08617	0.8
142.08640	8.7
144.27838	0.6
156.10217	1.3
160.09706	1.9
166.08644	2.2
174.11269	2.2
176.17892	0.6
182.40865	0.6
184.09698	20.5
202.08824	1.1
202.10756	30.1
220.11815	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
60.94659	0.2
62.16188	0.2
64.95870	0.1
68.27713	0.2
70.84391	0.4
82.71058	0.2
97.87311	0.2
101.76284	0.1
106.06557	0.2
118.06552	7.7
119.07343	0.2
120.08155	0.2
130.06456	0.2
132.08083	2.0
133.08919	1.2
134.09669	0.7
137.84613	0.1
146.09662	2.4
147.10432	0.2
148.11241	0.3
149.57208	0.1
160.11209	0.5
162.09155	4.6
175.07268	0.2
176.10791	3.4
176.14362	25.0
177.11450	1.1
182.01028	0.1
190.12268	2.9
202.15941	0.7
204.13806	0.3
220.16975	100.0
221.17316	0.9
240.98341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.05503	1.6
56.05033	0.6
56.96566	0.6
57.07071	0.9
62.05035	0.4
65.03928	0.5
67.05505	21.4
69.07057	0.7
69.17605	4.2
70.06596	1.0
71.04994	2.5
72.08163	0.5
74.06083	0.5
77.00631	1.0
79.05480	0.7
79.90262	0.4
81.07059	3.1
82.02953	1.7
83.08633	0.5
84.04510	0.5
84.08145	1.5
85.02896	0.7
85.06529	2.2
87.79789	0.4
91.05491	1.7
93.07059	0.6
94.06563	3.7
98.97596	1.0
105.07029	0.7
107.08586	1.3
109.06527	0.5
109.10156	11.0
110.07211	0.6
111.08086	0.9
111.90412	0.4
115.05426	0.5
119.08643	0.6
120.08089	1.3
121.06491	1.6
124.11205	0.6
127.11196	1.0
129.06989	0.5
130.06526	43.4
132.04453	30.2
133.10107	0.7
135.08054	0.6
137.05984	0.6
137.09612	1.1
147.04430	0.9
147.09195	0.7
148.07608	1.1
156.06709	0.6
157.07616	19.3
158.06015	67.0
165.09091	0.5
175.08672	100.0
176.07077	1.8
176.08972	0.5
176.10663	0.5
178.12296	0.7
179.10394	0.4
186.05489	1.3
193.15877	0.6
202.10110	0.4
203.08214	2.3
203.10948	2.6
204.06554	4.2
221.09212	32.8
221.12016	6.1
221.16583	3.8
239.09647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01871	0.9
55.05511	1.0
56.96572	1.1
57.03442	0.8
57.07082	5.8
57.54462	0.6
59.05003	4.6
65.11102	0.7
67.05500	5.8
69.07072	5.6
70.02960	6.7
70.06617	0.8
70.20709	2.0
72.04520	16.2
73.02934	3.4
74.02416	1.6
81.07087	0.8
83.04987	0.9
84.08138	0.6
85.02953	0.6
85.06547	10.5
86.09715	2.4
87.08109	1.9
89.52614	0.6
90.05559	100.0
95.04971	6.0
96.08137	2.1
98.02420	19.6
100.03990	2.9
103.07586	8.5
110.07137	0.8
112.07588	0.8
113.06017	2.4
116.03458	14.6
124.07592	16.6
137.84296	0.6
142.08655	7.1
156.10162	1.3
158.11746	1.1
160.09676	2.7
166.08629	2.8
174.11325	2.0
175.08711	1.1
184.09702	21.9
202.10750	30.4
220.02405	0.7
220.11810	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
51.62987	1.0
53.03932	2.4
55.01869	1.4
55.05519	14.4
57.07064	2.1
64.12314	1.0
67.05527	6.7
69.07066	7.0
69.22443	0.9
71.04662	1.2
71.05000	15.4
71.51849	1.1
73.91891	0.9
77.80836	1.0
79.05071	1.2
79.05495	12.4
81.03378	1.2
81.07062	20.1
83.04963	4.4
83.08609	3.1
85.06527	2.2
91.05487	28.6
93.07049	20.3
95.04963	2.6
95.08618	14.1
97.06527	5.0
97.10155	1.6
99.08112	1.8
103.05470	1.7
105.07039	67.9
107.04951	1.2
107.08611	19.9
109.06518	2.0
109.10164	8.6
111.08062	2.2
115.05447	3.0
116.03727	1.0
117.07032	10.3
118.06528	1.3
118.07841	1.1
119.08592	22.6
120.08100	1.9
121.06513	4.4
121.10154	26.3
123.08046	2.9
123.11685	2.5
125.09643	16.2
129.07037	5.2
130.07785	2.2
131.07614	1.2
131.08580	21.3
133.10138	100.0
135.08064	4.7
135.11670	5.1
137.09619	2.3
139.11156	1.8
141.06990	3.4
143.08522	2.3
144.09370	1.3
145.06477	1.5
145.09065	1.7
145.10130	20.1
147.11678	16.7
149.01337	1.0
149.09602	2.0
149.13235	2.9
151.11107	1.5
155.07095	1.4
157.06438	1.8
157.10170	2.5
158.07220	1.2
159.08020	3.1
159.11707	32.5
161.13316	10.9
163.11197	5.7
173.13281	8.6
174.06750	3.8
175.14839	3.2
176.14360	2.0
177.09085	2.8
177.12741	4.4
177.16333	1.4
183.11711	1.3
186.06740	1.2
189.09138	6.9
191.14368	1.4
191.17981	1.9
201.09108	4.0
201.12715	5.6
201.16389	19.9
203.14343	6.0
219.06485	1.8
219.10123	8.5
219.13763	16.5
219.17433	62.5
220.16959	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	219.1744
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
51.14682	0.6
53.03933	0.7
55.05295	0.5
55.05509	5.1
57.03419	1.1
57.07063	2.2
59.04998	3.0
59.80452	0.5
67.05511	9.0
68.12278	0.6
69.03427	1.4
69.07069	26.9
69.16871	1.8
69.17291	3.9
71.04976	6.0
71.08598	1.1
79.05494	4.3
81.06597	0.8
81.07059	15.8
83.04955	1.1
83.08611	3.9
85.06536	2.5
91.05477	4.9
93.07041	12.3
94.02588	0.7
95.04967	2.5
95.08609	22.4
95.75747	0.6
97.06517	1.8
97.10163	1.8
97.48676	0.6
98.21487	0.9
103.05450	0.7
103.84575	0.7
105.07033	18.7
107.08599	18.4
109.06516	4.5
109.10159	23.7
111.08071	2.4
113.09663	0.6
117.07010	3.3
119.08583	20.4
121.06480	1.7
121.10147	18.0
123.08098	3.7
123.11709	6.9
125.09631	1.9
130.07770	1.8
131.08583	6.8
133.10132	8.4
135.08078	5.2
135.11691	15.1
135.12729	1.1
137.09619	10.0
137.13260	3.0
143.08556	0.9
144.09341	0.9
145.10115	23.1
146.06023	0.7
147.11678	5.0
149.09616	9.1
149.13263	4.6
151.11177	2.4
151.34810	0.6
157.10091	0.9
159.11694	9.7
161.13263	11.4
163.11172	14.6
173.13271	3.5
174.06764	0.7
175.14839	7.7
177.12753	3.7
177.16371	2.0
189.12726	0.9
189.16437	0.8
191.17964	8.4
201.14613	1.1
201.16386	16.9
203.14343	4.4
219.17439	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1493
Annotation	4-methoxy DMT
Peak:m/z	Relative Intensity
60.04520	0.4
63.23286	0.1
66.93905	0.1
67.05508	0.2
69.07061	0.1
69.42412	0.3
69.42823	0.4
70.06596	0.3
71.05001	0.1
72.08141	0.3
79.05495	0.1
81.07042	0.2
84.08160	0.1
86.09708	0.4
91.05500	0.2
93.07066	0.1
98.97609	0.2
105.07053	0.2
113.06001	0.1
116.98631	0.1
119.08601	0.1
120.08121	0.4
121.10142	0.1
129.06982	0.2
131.08571	0.4
132.10207	0.2
133.10162	0.1
136.06169	0.4
141.06992	0.2
145.06499	0.2
145.10147	0.2
146.06078	0.1
157.06479	0.2
158.07381	0.1
159.02925	0.2
159.08061	0.1
159.11740	0.2
160.07591	0.3
161.09676	0.1
163.08719	0.2
169.91356	0.1
170.06133	0.1
173.12907	0.1
174.06821	0.4
177.10243	2.0
178.11040	0.7
189.09003	0.3
189.10271	0.4
191.11816	0.4
201.09160	0.3
202.08705	0.1
203.14368	0.4
204.12732	0.1
217.13274	0.2
219.14951	100.0
220.15286	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
53.03956	0.9
55.05517	7.0
57.07059	2.0
59.04986	1.8
59.65338	0.9
60.07652	0.8
61.09702	0.7
67.05518	6.0
69.03413	1.5
69.07070	5.5
69.23658	7.5
70.69549	0.8
71.04996	13.7
72.93055	0.7
73.06545	0.9
79.05483	10.0
81.07059	41.3
83.04989	5.8
83.08620	2.1
85.06534	1.9
91.05485	18.5
93.06485	1.5
93.07047	24.1
95.04962	1.8
95.08612	15.1
97.06525	6.3
97.10160	2.9
98.21538	1.6
98.90773	0.7
103.05463	1.1
103.74202	0.8
105.07034	66.9
107.08597	18.6
109.06522	2.2
109.10162	5.2
111.08069	1.2
115.05441	1.2
117.07015	5.1
118.07890	0.7
119.08580	18.8
121.06499	4.5
121.10141	16.2
123.08092	3.7
123.11694	2.1
125.09634	28.1
127.11201	1.3
129.07008	1.7
130.07806	1.4
131.08577	12.3
133.10132	100.0
135.08075	1.7
135.11667	5.3
137.09573	1.4
139.11160	2.6
143.08554	1.8
144.09300	1.9
145.10130	16.8
146.10860	1.1
147.11688	20.0
149.13271	2.2
153.06880	0.9
157.10063	1.9
158.10927	1.3
159.11702	19.9
161.13255	13.5
163.11198	2.8
164.08371	0.9
173.13292	6.0
174.06779	1.0
175.08730	0.9
175.14844	4.6
177.09119	1.1
177.12685	2.2
177.16362	3.2
184.27638	0.8
189.09187	0.9
191.18025	1.7
201.12602	1.2
201.16388	23.4
203.14348	4.2
219.10002	1.2
219.13872	2.9
219.17438	51.8
224.75734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1341
Annotation	Ser Leu
Peak:m/z	Relative Intensity
50.23963	0.4
60.04528	100.0
69.07085	0.6
69.98072	1.7
70.02963	0.7
75.36192	0.4
75.53236	0.4
86.00655	0.4
86.09707	66.4
87.05593	3.1
94.20564	0.5
98.97587	3.7
116.98603	1.0
120.08114	0.5
128.10735	2.2
132.10210	54.6
141.59444	0.5
173.12868	27.9
201.12383	5.8
202.09854	0.4
219.13411	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	219.1381
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
53.03935	1.7
55.01852	3.9
55.05513	7.1
57.03418	2.4
65.03923	1.3
67.05499	12.9
69.03415	2.2
69.07065	5.1
70.06571	1.2
70.99935	0.7
71.04990	5.9
79.05494	16.2
81.03442	0.8
81.07050	15.2
83.04984	5.8
83.08618	1.1
84.08125	1.0
85.02898	1.8
85.06536	1.4
86.09681	0.9
89.48962	0.8
91.04907	1.3
91.05476	23.2
93.07041	15.5
95.04970	8.8
95.08598	9.9
97.06512	6.3
98.21562	1.9
103.05442	1.6
105.07030	28.1
107.04940	3.5
107.08592	21.0
109.06510	4.4
109.10149	4.0
111.04411	4.5
111.08065	3.0
112.29714	0.8
115.05432	4.6
116.06215	1.4
117.07011	40.3
119.08574	19.3
120.08102	2.3
121.06493	6.7
121.10130	7.5
123.08069	5.5
123.11749	1.6
125.09644	1.8
128.06198	1.4
129.07011	7.8
130.07733	2.9
131.08559	40.3
133.06480	3.7
133.09119	1.1
133.10127	14.6
135.08058	25.6
135.11676	3.3
137.05913	0.8
137.09602	2.2
141.07022	4.0
142.07753	2.1
143.08559	4.1
144.09302	4.5
145.06473	3.6
145.09070	1.4
145.10132	19.0
146.10860	1.1
147.08015	3.1
147.11699	5.0
149.05858	1.1
149.09575	3.7
149.13219	1.4
155.08531	6.9
157.06352	1.2
157.10129	10.6
159.08080	7.8
159.11687	78.2
161.09586	3.6
161.13298	4.5
163.07530	2.0
163.11156	4.2
168.09317	2.1
173.09625	5.6
173.13261	20.8
174.06752	2.3
175.11151	4.8
175.14827	1.9
177.09154	4.3
177.12712	4.1
183.11694	11.3
189.09091	3.2
191.10663	2.3
191.14285	5.7
191.17944	1.0
201.12746	39.6
201.16325	5.3
203.14337	4.9
219.10176	5.7
219.13777	100.0
219.17233	29.0
220.14095	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1019
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.81649	0.4
55.01873	0.7
55.05502	0.5
57.03433	0.9
67.05512	0.8
69.07060	0.8
69.40473	0.9
69.40881	3.1
70.06596	0.7
81.07069	0.6
88.07635	1.3
89.07961	0.6
89.74127	0.5
89.74840	0.5
91.05482	7.6
93.07039	0.9
95.04948	0.5
95.08624	0.8
95.73803	0.4
98.81438	0.4
102.09205	0.6
103.05468	1.6
105.07044	2.8
106.08724	0.6
115.05459	6.4
116.06244	2.7
117.06993	2.3
118.07891	0.5
119.04929	0.6
119.08595	1.4
121.10128	0.6
128.06215	6.7
129.07010	30.3
130.04196	0.6
130.07794	1.6
131.04933	5.1
131.08574	28.9
133.10132	3.0
135.08038	0.6
137.05998	3.6
141.06995	25.6
142.07697	0.6
143.04910	1.4
143.08571	1.3
144.05714	5.0
145.06500	3.9
145.10118	0.8
146.07286	3.5
147.04398	0.6
148.05235	1.3
153.06987	0.6
155.06029	1.2
156.05740	0.9
157.06490	16.4
158.07272	17.1
159.04445	2.9
159.08064	20.3
159.11708	1.7
160.05206	3.7
161.05984	0.9
161.09622	1.8
162.06750	0.6
163.07541	1.9
168.05701	1.0
169.06480	10.6
169.07695	0.8
170.07257	4.5
171.08055	0.9
173.06012	3.1
173.09625	0.8
174.06775	58.8
175.07538	7.3
176.08217	0.6
185.05983	0.8
185.89240	0.5
186.06773	13.6
187.07561	1.7
188.08351	3.5
189.09117	76.2
191.07065	1.4
191.10689	6.2
191.14305	1.2
201.09114	30.8
201.16331	1.2
201.20396	1.2
203.14214	0.6
212.45692	0.5
219.10167	100.0
219.17334	3.7
219.21483	15.4
220.10536	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05532	0.6
57.03448	1.3
59.17980	0.5
60.04539	1.3
63.62734	0.4
67.05518	1.8
69.03459	0.4
69.07098	0.8
69.36538	2.8
70.06618	1.2
71.05005	0.6
72.08183	1.4
74.06086	0.4
76.01917	0.4
83.05008	0.6
84.08165	0.6
86.09695	2.6
91.05489	7.9
91.06019	0.6
93.07058	0.6
98.20767	0.9
98.97608	0.9
103.05485	2.6
105.07035	2.0
107.08610	1.0
109.06541	0.4
109.10184	0.6
111.04461	0.5
115.05475	6.9
116.06252	2.3
116.98782	0.4
117.07007	2.3
119.08598	1.5
120.08110	3.1
121.06571	0.7
121.10185	1.2
122.06078	0.4
123.08121	0.4
128.06235	7.4
129.07021	30.4
130.07799	1.8
131.04948	5.4
131.08582	28.1
132.10271	0.7
133.06573	0.8
133.10170	1.3
135.08087	1.0
136.06184	0.8
137.05994	2.7
141.07004	24.8
142.07835	0.4
143.04947	1.8
143.08519	1.6
144.05714	3.6
145.06485	4.3
145.10150	1.1
146.06186	0.7
146.07268	3.1
147.04425	1.2
148.05240	0.8
151.07555	0.6
155.06027	0.9
155.08498	0.4
157.06502	16.1
157.07777	0.9
158.07289	17.4
159.04460	2.4
159.08075	20.5
159.11673	0.9
160.05214	4.1
160.08820	0.5
161.06035	0.9
161.09615	2.3
161.13257	1.2
162.06731	0.6
163.07574	2.1
168.05736	1.2
169.06488	11.5
169.07632	0.9
170.07291	5.0
171.04539	0.7
171.08046	0.9
173.05994	4.3
173.09712	1.2
173.13226	0.5
174.06790	54.8
175.07549	8.5
175.09019	0.6
176.04738	0.6
176.08311	0.5
185.05913	0.5
186.05118	0.8
186.06773	14.0
187.07559	1.4
188.08357	2.8
189.09126	77.2
190.09480	0.6
191.07042	1.0
191.10686	5.8
201.09125	33.1
203.14294	2.2
219.10181	100.0
219.17349	9.4
220.10339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01883	1.1
55.05491	2.4
57.03439	1.4
67.05493	1.5
69.07073	1.7
69.34116	0.7
70.65707	1.8
71.05003	4.2
79.05482	2.1
81.07079	4.1
83.04983	0.8
91.05491	9.5
92.81658	0.6
93.07063	3.3
95.08625	4.3
103.05473	3.2
105.07044	11.6
107.08598	3.2
109.10168	1.6
115.05447	6.3
116.06200	2.1
117.07023	2.6
118.07806	0.8
119.04968	0.8
119.08585	7.4
121.10145	2.4
125.09665	1.9
128.06247	6.6
129.07018	31.9
130.07761	2.4
131.04941	5.0
131.08578	29.8
133.09132	1.0
133.10149	19.5
135.11670	0.8
135.46324	0.6
137.05978	3.3
141.07001	27.3
143.04926	2.3
143.08574	1.4
144.05710	3.6
145.06479	4.7
145.10164	3.6
146.07271	3.7
147.11681	2.2
155.06049	0.9
157.06512	16.5
158.07288	16.5
159.04466	3.7
159.08067	19.5
159.11633	4.4
160.05177	4.1
161.06032	0.8
161.09653	2.8
161.13287	1.8
163.07591	2.1
169.06485	12.8
169.07690	1.4
170.07280	6.2
171.04431	0.9
171.08072	1.4
173.06027	3.3
173.09671	1.2
173.13278	2.4
174.06781	57.5
175.07567	9.2
175.14828	0.7
185.06012	1.1
186.06789	15.4
187.07582	1.0
188.08363	3.8
189.09126	74.3
191.06995	1.0
191.10701	5.7
201.09122	33.5
201.16379	4.9
203.14297	1.7
219.10184	100.0
219.17416	16.7
220.10550	1.8
220.17041	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	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99179	18.9
55.03214	20.9
62.08572	16.7
71.36599	32.7
96.52364	18.1
98.97604	100.0
116.98603	47.2
117.79575	17.4
125.00524	17.8
126.38714	18.9
158.99644	21.3
177.00716	23.1
219.02661	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
53.00306	1.9
55.05511	13.6
57.64287	1.5
59.05002	11.1
67.05502	6.1
69.03423	3.1
69.07057	6.0
70.99039	2.2
71.04601	3.0
71.04995	56.3
79.05470	6.3
81.07050	8.4
83.04994	16.7
83.08624	3.2
89.06026	3.3
91.05482	13.8
93.07061	11.1
95.04966	2.3
95.08607	8.5
101.06012	7.4
105.07033	33.3
107.08601	100.0
109.06516	5.8
109.10158	10.6
111.04446	24.4
111.08077	23.3
113.06001	2.0
117.07049	4.2
119.08592	19.8
121.06494	3.3
121.10155	5.2
123.08063	4.4
127.07600	3.0
129.05458	3.5
129.06981	4.5
130.07732	2.2
131.08565	29.5
133.10114	13.7
135.11690	12.5
142.07776	8.2
143.08537	8.7
144.09270	1.7
145.10130	67.6
146.10901	2.3
147.08057	34.7
147.10506	3.5
147.11690	72.1
155.07031	26.7
157.10141	26.0
159.11708	33.0
161.09610	10.6
161.13290	4.5
171.11722	3.3
173.08136	25.4
173.09543	2.8
173.13278	7.5
174.10417	4.6
175.11195	24.2
175.14832	2.4
189.16399	11.2
199.14828	10.7
216.81337	1.7
217.10709	22.7
217.15875	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65747	0.1
55.05515	0.1
57.07083	6.1
58.06602	0.3
62.06087	0.4
64.37518	0.1
64.78208	0.1
67.18160	0.1
68.05012	0.2
69.07066	0.2
69.30831	0.6
69.31234	0.3
70.06602	10.4
71.08642	3.8
74.05730	0.1
74.06095	0.2
75.83637	0.1
88.07645	15.1
98.20764	0.2
102.09196	4.6
106.08681	9.8
117.20872	0.1
156.17506	0.6
174.18561	1.0
179.70543	0.1
198.00444	0.1
200.20123	7.6
218.21178	100.0
219.21559	0.4
220.01840	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	217.1591
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
55.01868	2.3
55.05516	19.7
57.07070	1.9
59.05014	9.4
62.24269	1.6
67.05521	8.0
69.03432	3.6
69.07063	4.4
71.05000	56.9
79.05480	7.8
81.07075	9.6
83.04994	32.4
83.08633	2.7
83.76810	1.8
85.06554	3.5
86.39204	1.6
87.04485	3.1
89.02405	3.1
89.06026	9.8
91.05490	17.5
93.07042	14.3
95.05019	2.6
95.08622	12.4
98.20721	4.1
101.06015	13.1
105.07045	38.2
107.08610	97.9
109.06544	6.7
109.10181	10.8
111.04455	56.9
111.05222	2.7
111.08092	29.7
113.06030	2.2
115.05489	1.7
117.07015	3.2
119.06047	2.5
119.08610	22.1
121.06524	5.4
121.10136	6.7
123.08070	5.5
127.07564	4.1
128.06168	2.5
129.05484	6.0
129.07018	4.1
130.07788	4.3
130.10924	1.7
131.08591	29.5
132.02574	1.6
133.10129	18.8
135.08089	1.8
135.11743	14.4
142.07788	6.8
143.08597	11.6
145.10141	69.3
146.10941	2.5
147.08064	34.2
147.11708	80.2
155.07054	49.3
155.90167	1.8
157.10155	30.6
159.11716	36.0
161.09625	14.7
161.13278	5.6
171.11696	6.2
173.08121	47.6
173.09442	1.6
173.13272	13.9
174.10405	5.0
175.11211	28.9
175.14819	4.6
189.16449	13.4
199.09657	5.6
199.14841	16.0
207.12729	1.6
217.10721	41.4
217.15906	100.0
218.21178	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	216.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.2
56.05037	3.5
58.06616	0.5
60.80365	0.4
67.05508	7.2
69.03440	0.8
69.07052	0.5
69.98914	1.5
70.06600	5.1
71.04983	0.3
72.08176	2.2
72.93803	0.4
73.02930	2.0
79.05477	0.7
81.07053	0.9
82.60736	0.4
83.04980	1.8
84.04498	0.5
84.08149	100.0
85.02888	0.6
86.09713	1.2
87.04504	0.4
89.06071	0.4
95.04974	0.5
97.02888	0.9
97.08918	0.6
98.09697	2.3
101.06015	0.6
109.10178	1.9
111.04436	2.8
121.00848	0.5
123.04445	1.4
126.12804	71.3
129.05487	0.4
129.09392	0.4
129.10248	1.6
132.95886	1.0
133.19508	0.5
139.27185	0.4
144.13869	2.1
145.94417	0.3
150.05472	0.6
150.96896	0.4
155.07056	2.9
167.54417	0.6
173.08118	2.2
184.03365	0.4
184.06233	0.4
195.85530	0.4
198.07672	0.8
198.11229	0.6
198.14981	0.8
216.15967	66.0
217.10773	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	217.1548
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
53.03944	0.3
55.01876	0.2
55.02782	0.1
55.05513	13.5
56.05033	0.5
56.96568	2.5
57.03447	0.3
57.05817	0.8
57.77831	0.1
59.05014	0.4
60.04515	0.3
62.40498	0.2
66.73006	0.1
67.05518	0.7
69.03434	1.1
69.07085	0.2
69.46136	1.2
70.02956	0.3
70.06606	1.0
70.98127	2.7
71.04996	0.2
72.08158	100.0
73.02916	0.4
74.06094	0.2
83.04987	6.2
83.08614	0.3
84.04501	0.6
84.08140	2.4
85.02918	0.7
85.06551	0.7
86.09719	0.9
87.00809	0.2
87.04473	0.8
88.99156	1.5
89.02384	0.7
89.06026	1.6
95.04973	0.5
96.04492	0.2
97.02898	0.7
98.97589	3.9
99.04491	0.5
101.00903	0.3
101.06006	2.5
101.06613	0.3
110.07150	0.2
110.97578	0.5
111.04447	11.5
112.07637	0.4
112.08714	0.2
113.06013	1.2
115.03945	0.2
116.98627	1.3
118.08654	3.1
118.09439	0.2
119.01859	0.8
120.08167	0.2
127.07552	1.1
128.98613	0.4
129.05481	1.8
129.10233	1.2
130.08669	0.6
134.99677	0.3
137.05997	0.3
145.01765	0.3
145.03436	0.6
146.99698	0.2
153.17967	0.1
154.03911	0.3
155.07036	12.1
156.03253	0.2
156.98074	0.3
158.53874	0.3
158.99698	0.5
159.54701	0.5
163.04530	0.3
168.03392	0.3
168.55215	0.3
171.14917	1.3
173.08099	9.5
174.99139	1.0
175.11852	0.2
177.00677	0.3
186.04378	0.6
189.02426	0.2
193.00177	1.5
199.09637	1.0
199.14360	0.2
201.00638	0.2
203.40158	0.2
207.03470	0.3
211.01291	0.2
217.10724	8.5
217.15404	4.4
219.01823	0.7
228.05547	0.3
237.02844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.3
57.03455	1.0
58.06603	0.9
60.73592	0.2
67.05513	11.1
69.07069	1.5
70.06602	5.9
70.55655	0.8
79.05534	0.4
81.07059	2.5
84.08158	6.3
98.09705	87.1
107.08622	0.5
109.06546	0.6
109.10181	3.9
111.10479	1.1
111.11686	0.5
112.11265	1.4
123.62267	0.3
140.14359	52.2
141.14743	0.3
151.11252	0.4
152.10733	0.5
158.15413	2.2
163.49979	0.3
175.59064	0.2
196.13371	0.4
214.18047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1646
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
53.03952	1.1
55.01868	2.3
55.05515	24.2
57.03429	4.6
57.07061	3.2
59.59240	1.0
61.96196	0.9
65.03931	1.2
67.05506	28.9
69.07069	26.0
69.74825	4.2
71.04996	13.1
73.06563	1.1
79.05499	13.1
81.07057	75.9
83.04988	5.6
83.08618	22.8
85.06547	18.5
90.85915	1.0
91.05482	18.9
93.07049	22.5
95.04998	1.2
95.08609	100.0
97.06529	26.0
97.07159	1.6
97.10178	10.3
98.21488	2.1
99.08100	10.7
101.06021	2.0
105.07033	24.2
106.55513	0.9
107.08603	10.8
109.06558	2.3
109.10149	8.7
111.08083	5.9
113.09631	3.1
115.07578	3.2
117.07030	1.6
119.08590	36.4
121.10143	10.3
123.08057	6.8
127.07576	2.4
131.08539	1.4
133.10139	26.9
135.11688	19.8
137.09595	3.7
137.13254	17.5
139.01553	1.0
141.09117	1.1
159.11653	2.1
161.13261	81.2
173.09613	1.0
179.14314	43.8
187.11182	1.3
194.96216	1.0
197.15353	16.1
211.39017	1.0
215.10780	1.2
215.14267	2.7
215.18034	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03935	1.6
55.01854	1.3
55.05274	1.2
55.05515	18.1
56.05032	1.3
57.03421	3.1
57.07072	7.9
59.04977	1.3
67.05508	19.9
69.03420	2.3
69.07071	25.7
70.06600	10.2
71.04608	1.1
71.04994	16.6
71.08632	1.5
72.08144	2.6
73.02894	1.1
79.05500	17.1
81.03440	1.0
81.07059	57.7
83.04964	1.7
83.08624	23.6
84.08149	6.3
85.02910	1.3
85.06549	11.0
86.09721	5.4
86.96294	0.9
88.07631	1.4
91.05497	5.7
93.07046	30.9
95.04969	1.8
95.08611	100.0
97.02878	1.4
97.06527	3.3
97.10177	9.4
98.09685	1.3
98.97556	1.5
99.04444	1.3
99.08090	3.1
105.07024	3.4
107.04965	1.2
107.08600	35.8
109.06500	3.1
109.10161	34.5
110.07187	1.6
111.04417	1.2
111.08062	3.8
111.11718	3.3
113.09631	2.1
115.27282	0.9
117.09151	1.5
119.08569	2.2
121.06512	1.8
121.10152	51.0
123.09990	1.4
123.11713	16.8
125.07898	1.3
125.09633	2.7
131.08537	1.1
131.10660	1.5
135.11703	16.4
137.05974	1.2
137.09630	1.2
137.13258	30.5
139.11179	2.2
139.14854	2.3
141.11034	0.9
148.97330	1.3
149.09569	1.3
149.13269	6.7
151.14799	2.7
153.05403	0.9
156.07706	1.3
167.07094	1.4
177.09082	1.1
177.16397	49.9
195.06525	2.5
195.10236	1.3
195.12167	2.1
195.13828	1.3
195.17468	7.3
196.13019	1.0
213.09204	1.4
213.13234	4.5
213.18452	8.6
214.18037	2.2
220.53258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1489
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
51.37123	0.4
52.46645	0.5
53.03948	1.1
55.01876	7.8
55.05514	41.1
57.03442	1.3
57.07089	0.9
59.05012	1.5
67.05508	17.7
69.03434	4.9
69.06699	0.4
69.07069	7.9
70.06577	0.7
70.35281	1.7
71.05000	44.2
73.12573	0.4
79.05502	10.8
79.31529	0.4
81.03428	0.8
81.07064	19.8
81.88094	0.5
83.04996	3.3
83.08626	29.1
84.08181	0.5
85.02921	0.8
85.06547	4.5
87.04481	6.3
91.05480	4.1
93.07054	12.7
95.04980	0.8
95.08611	7.1
97.06539	62.6
97.10175	40.1
98.06873	0.5
99.04461	0.5
99.08093	0.6
101.06017	0.9
101.09691	1.1
104.00081	0.4
105.07051	2.2
106.05312	0.4
107.04938	0.7
107.07879	0.8
107.08604	14.4
109.06531	0.9
109.10174	10.9
111.08076	3.0
113.06011	1.1
117.07010	3.2
119.08601	1.1
121.06522	0.9
121.10163	2.2
123.08083	0.7
125.09641	25.7
127.07540	0.6
131.08574	3.7
133.10161	3.6
135.08110	3.6
135.11707	4.6
143.08545	0.6
143.10666	0.7
147.11728	1.0
149.09648	1.2
149.13235	3.1
151.11136	0.7
153.09106	1.2
157.10147	0.7
159.11729	3.4
165.12877	0.6
167.14323	0.9
171.10193	1.1
171.11623	0.7
177.09138	0.5
177.12747	5.2
189.11243	5.4
195.13820	35.7
196.14059	0.6
210.39574	0.4
213.14859	100.0
214.15401	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.05520	3.0
57.03408	0.5
57.07064	1.6
57.81293	0.5
67.05501	1.3
69.03420	0.9
69.06734	0.7
69.07072	10.2
69.94011	2.1
70.06581	0.7
71.04970	0.8
76.87863	0.5
79.05495	4.2
81.07069	3.7
83.08622	3.5
84.08173	0.6
88.07637	2.6
91.05487	8.0
93.07047	9.4
95.04961	1.0
95.08593	3.3
97.06540	0.7
97.10166	0.8
103.05464	0.8
105.07033	17.7
107.08590	14.3
109.10127	0.7
111.04421	1.0
111.79414	0.5
117.06981	1.6
119.06087	0.9
119.08585	25.0
121.10151	5.3
128.06226	4.6
129.07014	7.1
131.08562	2.8
133.10132	7.9
135.11655	0.8
141.06998	2.7
142.07777	16.6
143.08563	22.9
145.10144	4.8
149.09660	0.8
155.08574	3.3
156.09351	14.0
157.10129	51.6
158.10899	2.4
159.11623	1.4
165.07016	0.7
169.10092	2.7
170.10934	4.1
171.11694	29.7
172.12326	0.8
183.11679	8.5
184.12424	2.4
185.13280	5.1
195.06598	1.2
195.11774	1.1
197.13200	0.7
198.14055	10.1
213.12823	4.0
213.16382	100.0
214.16690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.53741	2.1
53.03939	3.1
55.01868	4.7
55.05272	2.2
55.05515	22.0
55.49846	2.1
56.96556	6.9
57.03440	12.1
57.07069	7.1
67.05507	70.6
69.07073	31.1
70.06586	9.2
71.04998	11.1
79.05072	3.6
79.05496	40.1
81.03407	2.5
81.07057	100.0
82.07355	2.7
83.04993	12.2
83.08620	22.4
84.08137	2.6
85.02886	3.0
85.06531	7.8
86.09683	2.1
88.07630	7.6
89.67479	1.8
91.05478	23.9
93.07044	70.4
94.07434	2.6
95.04956	8.3
95.08604	30.1
97.06542	17.4
97.10148	4.7
99.04443	3.8
99.08079	5.0
105.07030	13.3
107.04946	3.3
107.08594	40.3
109.06528	5.9
109.10139	6.1
110.07147	5.1
111.08080	11.5
117.07011	9.0
119.08577	7.4
121.06525	2.8
121.10146	24.6
123.08082	2.9
123.11748	4.3
125.09650	4.3
128.06213	3.0
129.06966	5.5
130.93491	2.0
131.08583	14.7
133.10124	12.6
135.08109	4.1
135.11673	16.6
139.11119	2.6
141.07068	2.6
142.07767	5.4
143.08539	10.3
145.10115	3.8
149.09610	2.6
149.13260	49.8
155.08517	3.0
156.09340	4.3
157.10146	18.0
159.11694	25.4
165.06932	2.5
169.10085	3.0
170.10837	2.5
171.10405	2.8
171.11699	11.1
177.09152	3.4
177.12738	8.9
183.11702	2.2
185.13272	4.2
195.06479	3.9
195.11949	4.1
195.13809	12.4
213.05516	8.8
213.09183	5.0
213.13017	19.0
213.14751	4.0
213.16458	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	213.1487
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03946	3.1
55.01876	4.8
55.05515	21.2
56.96556	5.2
57.03454	13.7
57.07076	3.8
59.04996	1.9
67.05511	72.6
69.03423	2.6
69.07076	30.1
69.61571	3.4
69.61950	9.4
70.06601	6.6
71.05002	9.9
75.58712	1.4
79.05496	42.1
81.03411	2.8
81.07065	100.0
82.93000	1.6
83.04975	12.7
83.08631	17.8
84.08214	1.7
85.06562	5.9
88.07643	8.2
91.05490	20.2
93.07050	73.5
94.07366	1.9
95.04976	7.4
95.08617	30.4
97.02899	1.6
97.06538	18.4
97.10182	3.4
98.21502	2.2
99.08083	4.9
104.88121	1.5
105.07052	11.4
107.05015	1.8
107.08601	34.2
109.02905	1.7
109.06543	3.7
109.10145	3.8
111.08093	9.8
117.07021	11.7
119.08588	6.9
119.89308	1.7
121.06497	4.5
121.10152	25.4
123.08111	2.3
123.11723	2.5
125.09617	2.8
127.03853	2.1
127.07537	1.8
128.06241	3.1
129.07011	4.9
131.08559	14.5
133.10126	10.4
134.31029	1.6
135.08066	3.1
135.11714	15.1
139.11220	2.5
142.07753	4.8
143.08580	9.5
145.10136	3.9
149.09709	2.8
149.13271	56.0
151.11137	1.6
155.08597	1.8
156.09352	2.5
157.10141	16.5
159.11696	25.0
169.10114	1.8
171.08138	1.8
171.11765	8.9
177.12790	10.3
180.09441	1.7
183.11729	1.8
185.13290	2.5
185.42392	1.5
195.06602	3.8
195.08447	1.7
195.11957	1.9
195.13835	11.8
198.10393	1.8
213.05569	5.2
213.09099	4.5
213.12924	13.9
213.16437	23.2
214.15997	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	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03950	2.5
55.01866	4.8
55.05513	22.6
56.96556	3.2
57.03439	9.3
57.07071	5.0
58.33959	2.0
65.03944	3.1
65.25092	2.1
67.05509	74.7
69.03426	4.2
69.07073	29.7
70.06590	6.0
70.76839	3.7
70.77147	2.1
71.05005	10.3
79.05499	39.0
81.03422	4.7
81.07061	100.0
83.04967	11.2
83.08623	22.1
84.08139	3.0
85.02895	5.1
85.06538	5.9
85.10180	2.2
88.07642	9.9
91.05486	24.8
93.07051	59.5
95.04989	10.0
95.08612	33.9
97.06520	18.4
97.10161	4.2
99.04488	3.0
99.08060	4.6
103.05536	2.2
105.07036	13.8
107.04956	3.7
107.08595	34.2
109.06510	3.9
109.10164	3.2
111.04449	3.2
111.08086	7.3
112.11783	1.8
113.09644	3.0
117.06999	10.3
119.08587	7.8
121.06510	7.7
121.10160	19.8
123.08124	2.7
123.11711	4.0
125.09643	4.5
127.03893	4.6
129.07022	6.3
131.08571	14.4
133.10138	18.0
135.08086	4.5
135.11682	17.3
139.11227	2.5
142.07780	7.1
143.08565	12.2
145.10097	3.2
149.09601	4.9
149.13268	41.8
151.11227	3.0
153.09119	3.3
153.12738	2.4
155.08524	3.8
156.09377	2.9
157.10133	22.2
159.11705	19.2
167.08813	2.6
170.10948	3.3
171.11676	15.3
177.12749	9.4
180.09370	2.4
195.06541	7.5
195.08354	2.1
195.10182	2.9
195.11928	3.2
195.13814	12.6
195.50975	2.0
213.09250	5.7
213.12785	14.0
213.14755	6.0
213.16463	36.9
215.57591	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	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03939	2.7
55.01865	1.9
55.05510	10.6
57.07075	6.3
61.02908	2.2
65.03922	2.0
67.05505	27.2
69.03434	2.3
69.07069	14.1
70.06602	7.7
71.05008	7.4
71.08590	1.5
74.43555	1.2
79.05500	38.1
81.03428	2.1
81.07059	29.0
83.04997	5.8
83.08611	4.2
84.08141	1.4
85.02905	1.6
85.06543	3.4
86.09727	1.6
88.07635	4.1
91.05485	22.6
93.07049	70.1
95.04958	3.8
95.08608	16.7
97.02903	1.3
97.06544	8.1
98.06081	1.5
99.04462	3.3
99.08098	4.0
103.05466	2.2
105.07030	11.8
107.04957	4.9
107.08594	32.4
108.08905	1.5
109.06541	3.4
109.10173	5.2
110.07166	4.5
111.04431	1.4
111.08097	2.0
113.05969	1.5
115.05405	1.4
117.07011	6.3
119.08570	5.8
121.06540	8.0
121.10160	10.7
123.08076	3.3
123.11696	1.5
125.05975	5.6
125.09645	2.9
127.03912	2.5
129.07016	3.8
131.08595	7.7
133.10141	22.6
135.08072	3.3
135.11694	100.0
136.06232	1.8
139.07549	3.0
139.11234	1.5
140.72348	1.2
141.07045	1.2
142.07800	4.0
143.08603	7.6
145.10130	4.1
147.11780	1.4
148.97342	1.3
149.09599	2.7
149.13332	7.7
151.03923	1.6
153.07382	3.5
153.09106	4.3
153.12764	2.7
156.09363	1.6
157.10141	11.9
159.11697	7.1
167.07133	2.0
167.10799	1.7
169.10088	2.0
170.10889	2.0
171.11696	9.0
177.12793	6.3
177.16406	5.2
185.09662	1.4
185.13356	2.5
195.06523	4.8
195.08415	5.0
195.10124	1.9
195.13780	6.2
196.09636	1.5
213.09181	4.0
213.12796	5.0
213.14796	3.4
213.16498	22.6
213.18452	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	213.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01860	5.3
55.05520	21.5
57.03446	11.7
57.07061	5.8
58.67017	2.4
67.05509	79.2
69.07076	30.0
69.41319	8.2
69.41727	8.2
70.06577	8.5
71.04974	11.0
79.05083	2.7
79.05499	42.6
81.03414	3.4
81.07061	100.0
83.04993	11.8
83.08632	21.2
84.08156	3.0
85.02905	6.4
85.06542	6.5
88.07628	13.6
90.66674	3.1
91.05487	22.8
93.06490	4.4
93.07050	74.3
95.04953	7.0
95.08606	31.6
97.06518	19.4
97.10153	4.5
99.04448	4.1
99.08096	3.4
105.07048	11.6
107.04924	4.3
107.08597	37.8
109.06503	8.6
109.10139	7.5
111.08068	9.9
117.07030	13.2
119.08572	10.9
119.70501	2.2
121.06519	4.9
121.10147	23.7
123.08047	3.8
123.11681	2.5
125.09640	3.0
128.06252	3.2
128.73236	2.7
129.06992	7.7
131.08575	16.1
133.10133	15.3
135.11690	21.9
138.06279	3.0
139.07535	3.4
141.06888	3.0
142.07751	6.0
143.08551	10.7
145.10126	7.8
147.11636	2.4
148.94354	2.5
149.12070	3.0
149.13264	55.4
149.15121	2.7
153.09122	2.6
155.08484	3.3
156.09367	3.6
157.10104	16.9
159.11711	19.9
165.07022	4.1
171.08138	3.1
171.11710	14.2
177.09073	4.1
177.12747	13.1
185.13210	3.8
195.06441	5.6
195.10141	2.6
195.11740	6.0
195.13763	7.5
198.10451	3.5
213.09175	4.5
213.12941	19.0
213.16425	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03941	4.3
55.01854	3.4
55.05518	23.3
56.96566	2.4
57.03437	15.8
57.07064	6.0
57.79906	2.0
65.03926	2.9
67.05506	75.2
69.03436	2.8
69.07071	25.2
69.53158	13.2
70.06589	2.9
71.04988	8.0
71.08633	2.7
79.05496	41.2
79.92409	2.1
80.21656	2.1
81.03430	4.8
81.07056	100.0
83.04979	11.1
83.08616	18.6
84.04549	1.9
85.02911	3.2
85.06543	5.7
86.09689	2.4
88.07617	8.3
91.05486	23.0
93.07048	70.0
93.07639	3.6
95.04952	6.2
95.08600	26.9
95.35627	1.8
97.06532	15.0
97.10161	3.1
98.20644	2.1
99.08105	3.4
105.07029	12.2
105.26085	2.2
107.08603	40.2
107.23736	2.0
109.06481	3.7
109.10152	5.9
110.07153	2.7
111.08087	12.3
113.09600	2.3
117.07024	11.8
119.08577	8.8
121.06455	4.2
121.10146	20.3
123.11686	3.3
129.07028	4.3
131.08578	12.0
133.10150	11.0
135.11699	14.1
139.11234	3.0
141.06976	3.3
142.07806	5.1
143.08603	10.0
149.13260	51.5
155.08545	3.5
156.09373	3.8
157.10143	14.0
159.11688	28.7
165.07056	3.0
170.10887	3.8
171.08029	4.3
171.11688	10.6
177.12679	10.8
195.06529	5.9
195.10109	2.4
195.11740	7.0
195.13812	15.2
198.10449	3.3
213.09169	3.7
213.12961	17.7
213.16411	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	Modiolin
Peak:m/z	Relative Intensity
53.03929	3.6
55.05510	25.4
56.96566	7.5
57.03430	10.1
57.07069	6.5
57.97257	3.2
63.27240	2.9
66.92800	2.9
67.05509	76.5
69.03425	3.8
69.06801	2.9
69.07075	36.7
70.06583	11.5
70.64947	3.2
71.04992	7.1
71.52010	4.0
79.05496	45.2
81.06670	3.5
81.07057	100.0
83.02971	2.9
83.04972	9.7
83.08603	23.5
84.08125	6.2
87.01196	3.6
88.07629	12.4
91.05485	27.4
93.07054	69.9
95.04975	8.1
95.08613	27.3
97.06526	19.1
97.10161	3.9
99.04453	4.0
99.08118	3.1
101.86657	3.2
105.07037	33.4
107.08598	47.9
109.06525	8.1
109.10171	5.1
110.07204	3.9
111.08069	11.0
117.07023	15.4
117.30964	3.7
119.08601	23.3
121.06497	6.0
121.10153	25.5
123.08059	4.5
125.09640	4.1
128.06233	6.4
129.06999	13.0
131.08557	21.5
133.10133	13.2
135.11728	16.0
137.05957	14.2
141.06931	4.1
142.07788	10.7
143.08554	19.1
145.10129	11.6
147.11699	3.7
149.09773	3.9
149.13261	49.4
155.08536	4.6
156.09390	4.7
157.10112	28.9
159.11710	25.7
167.14291	4.3
171.11694	29.6
177.12781	11.5
181.58566	4.4
183.85129	3.9
185.13258	5.0
195.06482	8.5
195.11700	5.0
195.13857	11.4
213.09245	6.9
213.12718	18.1
213.16418	61.3
226.11087	5.7
233.10173	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	212.1283
Annotation	Methoxamine
Peak:m/z	Relative Intensity
53.03954	2.2
55.01878	9.2
55.05511	11.7
57.03436	5.3
65.03932	2.1
67.05507	19.8
69.03429	6.8
69.07058	2.7
70.06566	2.3
70.56014	2.7
71.04980	1.9
72.04496	3.6
72.08151	1.0
74.30478	1.0
79.05497	32.4
80.05003	3.8
81.03409	4.8
81.07054	28.6
82.02892	1.5
82.06566	2.8
83.05000	6.5
84.04481	3.0
84.08147	7.7
85.02910	1.3
86.09712	2.5
91.04910	2.1
91.05484	32.6
93.07045	36.4
95.04967	14.1
95.08607	28.5
96.04496	23.4
96.08113	3.2
97.02876	3.0
97.05252	3.4
97.06517	3.2
97.08914	1.4
98.06063	6.7
98.97560	3.0
103.05477	2.5
105.07028	23.0
106.06581	2.5
107.04963	18.6
107.08595	13.4
108.08077	1.3
109.02857	3.8
109.06495	6.0
109.10147	3.7
110.06024	1.6
111.04399	1.4
114.05498	2.7
115.05410	1.2
116.06264	2.4
117.07018	2.9
119.04924	4.4
119.08591	10.7
120.08118	6.5
121.06503	10.3
121.10147	23.9
122.06030	2.9
122.09676	7.0
123.04454	5.8
123.07211	2.1
123.08068	28.8
123.11700	3.6
124.07581	4.0
124.11172	1.2
125.05943	1.1
125.09638	2.7
126.05426	1.2
129.06975	2.1
129.10258	1.6
131.07587	2.0
131.08572	32.1
133.06494	2.5
133.10136	18.0
134.06029	2.3
134.09555	1.1
135.04408	4.5
135.08023	1.6
136.07603	5.1
137.05962	5.3
137.09619	3.6
138.05501	1.4
138.09103	2.7
140.07127	1.8
140.10695	1.4
146.09651	1.4
147.04422	5.8
147.06895	1.3
147.08037	16.4
148.04814	1.1
148.07524	2.5
148.11186	8.9
149.05928	1.2
149.09628	28.6
150.09155	2.6
152.07021	4.4
153.05484	5.9
158.09663	1.1
159.08041	7.5
162.05495	2.5
164.10716	17.6
165.09113	7.2
166.08632	2.7
166.12250	2.1
167.07059	1.6
167.10670	1.7
174.99168	1.2
176.10733	8.6
177.09122	14.3
178.18941	1.2
180.06543	2.6
182.11801	1.4
194.08075	4.7
194.11765	100.0
195.06407	1.4
195.10175	34.3
212.09184	3.0
212.12799	19.7
212.14618	2.0
212.16328	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0918
Annotation	3-Hydroxy-5-methyl-L-tyrosine
Peak:m/z	Relative Intensity
53.03940	2.0
53.62619	0.9
55.01868	2.5
55.05510	1.8
65.03944	0.9
67.05499	4.8
67.13970	0.8
68.05029	2.1
69.03097	1.0
69.03423	5.6
70.00485	4.1
70.06611	1.9
71.04995	1.0
71.20277	0.9
74.00668	1.1
79.05493	9.5
81.03410	0.9
81.07059	52.3
83.01940	1.0
83.04988	1.3
84.08140	3.3
91.05482	12.1
93.07047	16.3
95.04965	3.4
95.08620	6.2
96.04494	30.6
96.05120	1.5
97.02910	1.8
97.05277	1.3
97.06525	1.0
98.06053	3.6
98.21471	1.2
103.05466	3.7
105.07034	10.1
107.04951	4.7
107.08590	3.0
108.08128	4.9
109.06523	21.3
109.07263	1.3
114.05537	1.2
119.04947	2.4
119.08548	2.0
120.01185	1.4
120.08125	4.2
121.06497	8.8
121.10135	4.1
122.09648	1.5
123.08053	6.6
129.10220	1.9
131.08586	6.4
133.06503	5.2
133.10110	3.4
136.07585	87.3
137.05984	100.0
138.09131	1.6
139.07423	0.9
140.14342	2.8
140.95831	0.9
147.04382	1.2
147.08035	2.3
148.07581	10.3
148.11243	1.4
149.05995	22.8
149.09615	4.8
151.02113	1.5
151.07501	2.2
152.07083	1.8
159.08131	1.9
164.07060	3.1
164.10754	2.0
165.05490	37.4
165.06905	2.0
165.09138	1.3
166.08647	8.2
166.12308	3.8
167.07056	4.6
167.57642	1.2
176.07063	4.6
176.10674	1.9
177.05536	2.0
177.09129	3.1
182.08162	1.8
183.06529	1.2
185.11552	0.9
194.08133	48.4
194.11751	16.2
195.06540	4.1
195.10182	6.3
212.09235	4.3
212.12804	6.8
213.11188	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0919
Annotation	3-Hydroxy-5-methyl-L-tyrosine
Peak:m/z	Relative Intensity
53.03943	1.2
55.01867	0.5
55.05512	0.4
56.96558	0.9
65.03938	0.7
67.05497	1.4
69.03416	2.6
69.07059	0.6
70.06577	0.8
70.89649	0.5
70.89989	0.9
70.97001	0.5
72.08144	0.7
74.00660	0.7
79.05503	4.0
80.05028	0.5
81.07057	26.6
82.06559	0.4
84.08147	2.8
86.06072	0.6
86.09693	1.1
91.05482	9.2
92.05006	0.5
93.05800	1.1
93.07043	5.8
94.06579	0.5
95.04968	1.4
95.08604	1.6
96.04491	2.0
97.02881	2.3
98.06006	0.7
98.09687	1.6
98.97594	1.4
99.04448	0.5
103.05473	1.0
105.07032	1.8
107.04941	1.0
108.08128	7.9
109.06520	9.8
116.98575	0.5
119.04926	4.1
120.01102	0.9
120.08115	3.8
121.06511	4.0
122.06067	0.6
123.08042	1.8
129.10300	0.5
129.77855	0.5
131.08588	1.3
136.07582	100.0
137.05981	52.6
137.07066	1.1
137.07715	0.7
138.09177	0.4
139.07573	0.5
140.14343	1.3
147.04434	2.8
148.03882	0.6
148.07593	7.0
149.05975	5.3
149.08380	0.6
149.09604	0.9
150.09100	0.6
150.99217	0.4
151.02116	1.2
151.07553	0.5
154.06540	0.6
158.15411	0.7
164.07101	5.6
164.10747	0.7
165.05481	6.3
166.04996	6.3
166.08621	3.7
167.07051	2.2
176.07059	5.7
177.05534	0.9
182.08130	1.5
193.00291	0.6
194.04482	4.4
194.08131	38.1
194.11716	2.3
195.06564	5.0
195.08293	0.8
195.10109	0.8
212.05562	0.5
212.09210	2.9
212.12836	1.5
212.16429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0917
Annotation	3-Hydroxy-5-methyl-L-tyrosine
Peak:m/z	Relative Intensity
53.03940	2.0
55.01862	3.4
55.05510	3.4
56.96551	2.0
57.03435	1.1
60.35400	0.9
67.05505	7.3
68.05021	2.3
69.03425	7.5
69.07056	1.6
69.57558	1.1
69.57964	3.6
70.06590	1.8
71.05011	0.8
72.04517	1.1
73.02921	1.3
79.05502	13.7
80.05009	1.5
81.03400	2.2
81.07062	59.5
82.06578	1.1
83.04991	1.9
84.04504	1.3
84.08154	5.9
85.02916	1.8
86.09682	1.4
91.05480	13.5
93.05776	1.0
93.07049	18.2
94.06577	1.3
95.04973	4.7
95.08619	9.8
96.04493	26.9
97.02895	2.9
97.05288	1.6
97.06554	1.0
97.08891	0.8
98.06048	3.6
98.09702	2.2
98.97595	2.0
99.04436	1.1
103.05453	3.3
105.07043	10.4
107.04953	5.9
107.08595	4.5
108.08136	5.5
109.02907	1.0
109.06523	22.9
109.10168	1.3
110.06059	1.5
111.04440	1.0
114.05551	1.6
116.06230	0.7
119.04951	3.0
119.08585	4.1
120.08095	5.7
121.06513	14.4
121.10139	4.1
122.09647	2.5
123.04468	1.8
123.08058	8.1
125.06057	1.2
129.10249	2.4
131.04884	1.1
131.08575	7.9
133.06497	5.3
133.10144	5.0
135.04396	1.5
136.07584	77.9
137.05986	100.0
138.09129	1.0
139.07565	1.0
140.07085	1.0
140.14391	1.2
147.04424	2.7
147.08067	4.9
148.07561	8.3
148.11224	1.8
148.68230	0.8
149.04788	1.4
149.05984	24.0
149.09659	7.0
150.09183	1.4
151.02203	0.8
151.07608	2.0
152.07037	2.7
153.05356	0.9
159.08067	2.3
162.05585	1.1
164.07033	1.9
164.10738	9.0
165.05489	66.2
165.63692	0.9
166.08656	12.1
166.12311	2.1
167.07095	6.3
176.07112	3.9
176.10715	1.9
177.05508	1.8
177.09126	3.6
179.54486	2.2
182.08142	1.4
183.06543	1.9
184.09630	0.9
185.41429	0.8
188.54964	4.3
194.08142	44.8
194.11765	21.7
195.06534	6.3
195.08327	1.4
195.10156	8.0
212.09254	4.9
212.12756	6.8
214.03902	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.00261	1.1
53.03928	1.8
55.05514	14.9
57.03429	0.9
57.07078	4.3
58.16980	0.8
59.04995	2.2
63.36171	0.7
63.62594	0.8
65.03928	1.1
67.05505	24.4
69.03435	8.8
69.06738	1.1
69.07072	15.0
70.84380	2.3
71.05000	4.1
79.05495	6.1
81.03410	1.2
81.06595	1.6
81.07059	28.5
83.04989	13.0
83.08631	9.3
85.06556	4.6
87.08070	0.8
88.98616	0.8
89.03965	0.8
91.05475	5.3
93.07053	11.1
95.04968	3.3
95.08613	38.3
97.06523	1.6
97.10168	3.3
97.52683	0.8
99.08090	4.0
103.20237	0.9
105.07038	7.0
107.08601	25.6
109.06521	13.1
109.10160	100.0
110.06850	1.2
111.08063	4.9
113.09631	2.4
119.08588	25.2
121.10149	11.9
123.08070	16.3
123.11697	10.7
125.09621	1.8
127.11157	1.0
133.10133	21.6
135.11699	71.3
137.09627	17.2
138.10368	1.1
139.11172	1.8
139.25499	0.8
140.98685	0.9
145.10028	0.9
147.11694	2.0
149.13271	6.7
150.10431	1.0
151.11183	9.8
151.14810	12.2
153.12732	3.2
165.16365	2.9
168.28111	0.8
175.14844	22.5
193.15897	21.8
211.16943	3.7
216.70348	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.43546	1.1
53.03947	1.5
55.05516	14.5
57.03437	2.8
57.07088	5.1
59.04997	3.3
67.05513	32.1
69.03131	1.2
69.03441	11.8
69.06731	1.6
69.07075	21.3
71.05004	12.3
71.08633	1.4
71.37153	2.1
71.37521	1.0
76.66599	0.9
79.05498	6.1
81.03422	3.4
81.07067	34.8
83.04988	16.5
83.08620	10.4
85.06552	7.7
91.05486	6.0
93.07060	14.4
95.04985	7.4
95.08619	44.1
97.06541	5.6
97.10186	2.8
99.04451	1.9
99.08100	7.8
105.07037	11.1
107.04975	1.3
107.08602	27.4
108.61002	1.0
109.06537	14.7
109.10168	100.0
111.08100	5.7
113.09641	2.5
115.07561	1.5
119.08600	28.1
121.10171	13.3
123.04453	3.0
123.08089	15.7
123.11730	18.5
125.09648	2.9
127.11252	1.2
131.08652	1.2
133.10152	22.4
135.11705	69.2
137.08665	1.7
137.09633	17.9
139.11200	2.9
141.09108	1.3
147.08057	2.7
147.11681	5.4
149.13269	7.0
151.07620	1.3
151.11195	10.3
151.14850	13.7
153.12766	4.4
155.10652	1.5
157.85373	0.9
165.09108	2.3
165.16425	2.7
165.18640	1.1
169.10161	1.7
175.14857	26.0
175.72908	1.2
179.07034	3.0
182.02374	0.9
183.15524	1.1
193.08611	1.7
193.12254	3.6
193.15891	23.4
197.67168	1.0
211.13380	1.9
211.15114	2.1
211.16953	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01870	7.5
55.05513	54.5
56.05844	11.0
56.96551	7.2
57.03441	11.8
57.07077	10.3
59.05008	3.1
64.15176	2.2
65.03929	2.7
67.05508	51.0
67.94205	2.1
69.03427	20.7
69.07069	42.4
70.06583	9.0
71.04643	3.0
71.04997	29.8
71.43347	2.6
72.08162	3.4
78.96655	2.1
79.05135	2.1
79.05502	21.4
81.03423	39.2
81.04922	1.9
81.07057	77.7
83.04979	32.3
83.08620	24.2
84.04511	2.2
84.08139	7.7
84.08931	5.7
85.06546	13.1
86.06052	2.3
86.09703	2.5
87.08132	2.1
88.88734	1.9
91.05470	30.3
93.06481	3.7
93.07045	44.6
95.04965	31.9
95.08604	70.1
97.02872	3.3
97.06522	21.8
97.10163	6.7
98.98469	2.8
99.04449	6.1
99.08101	18.3
100.07610	5.2
100.11243	7.9
101.07927	6.3
101.11574	7.4
103.05434	3.0
105.07036	49.9
107.04953	3.1
107.08594	70.2
109.06528	23.1
109.10156	100.0
110.06826	3.0
111.04433	8.1
111.08082	36.2
112.04803	4.8
112.07582	3.9
113.06013	2.1
113.09619	6.0
115.07593	2.5
117.06992	2.7
119.04949	3.7
119.08585	56.1
120.08125	4.0
121.06495	7.0
121.10141	25.7
122.09642	2.9
123.04417	14.9
123.08067	31.5
123.11704	28.6
125.05989	2.1
125.09644	8.3
127.07512	3.7
127.11184	2.8
129.07251	3.3
131.08577	6.2
133.06487	5.8
133.10127	52.0
134.05975	2.2
135.08043	5.7
135.10709	3.6
135.11700	65.8
137.05980	8.9
137.09619	41.2
137.13223	3.7
138.10414	2.5
139.11191	4.2
141.09033	2.8
147.04448	2.6
147.08020	6.0
147.11681	25.8
149.06029	3.2
149.09616	5.9
149.13260	14.0
151.07556	20.5
151.11201	10.8
151.14810	9.3
153.09128	2.5
153.12697	6.3
155.10666	6.7
157.10118	6.0
163.14792	2.5
165.05464	4.2
165.09100	9.7
165.12794	13.3
166.12273	3.1
169.10091	3.9
175.11183	11.4
175.14842	53.8
176.10739	5.9
179.07047	31.4
182.15385	6.3
183.15761	45.4
184.13327	2.5
193.08606	8.1
193.12285	19.2
193.13792	2.8
193.14122	2.4
193.15930	32.4
194.11713	2.8
194.15387	2.4
211.07782	4.3
211.09572	7.7
211.11330	3.8
211.13208	8.5
211.15091	26.9
211.16954	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73824	1.2
53.03948	2.0
55.05513	12.9
57.07063	4.3
57.64709	1.4
59.05002	2.6
65.03916	1.7
67.05508	27.0
69.03438	10.3
69.07077	18.1
69.20074	7.2
69.20498	5.3
71.04996	5.6
79.05477	6.3
81.03410	1.9
81.07062	30.5
83.04978	13.2
83.08617	8.1
85.06542	4.7
86.86194	1.5
91.05482	3.7
93.07056	16.4
95.08613	42.8
97.06527	3.3
97.10177	2.7
98.21484	2.4
99.08108	4.4
105.07037	10.2
107.08604	24.8
107.98055	1.3
109.06527	11.1
109.10164	100.0
111.08096	6.6
113.09653	1.4
119.08589	27.5
121.10147	10.9
123.08086	13.7
123.11720	10.0
125.09609	3.0
133.10139	23.7
134.64656	1.5
135.11700	72.3
137.09622	15.7
139.11205	1.9
147.11656	3.6
149.13280	6.6
151.11195	10.1
151.14851	12.3
153.12756	3.7
155.27184	1.4
162.62918	1.2
165.16437	2.2
175.14844	25.0
193.12270	1.9
193.15900	19.8
211.15118	1.9
211.16809	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.73824	1.2
53.03948	2.0
55.05513	12.9
57.07063	4.3
57.64709	1.4
59.05002	2.6
65.03916	1.7
67.05508	27.0
69.03438	10.3
69.07077	18.1
69.20074	7.2
69.20498	5.3
71.04996	5.6
79.05477	6.3
81.03410	1.9
81.07062	30.5
83.04978	13.2
83.08617	8.1
85.06542	4.7
86.86194	1.5
91.05482	3.7
93.07056	16.4
95.08613	42.8
97.06527	3.3
97.10177	2.7
98.21484	2.4
99.08108	4.4
105.07037	10.2
107.08604	24.8
107.98055	1.3
109.06527	11.1
109.10164	100.0
111.08096	6.6
113.09653	1.4
119.08589	27.5
121.10147	10.9
123.08086	13.7
123.11720	10.0
125.09609	3.0
133.10139	23.7
134.64656	1.5
135.11700	72.3
137.09622	15.7
139.11205	1.9
147.11656	3.6
149.13280	6.6
151.11195	10.1
151.14851	12.3
153.12756	3.7
155.27184	1.4
162.62918	1.2
165.16437	2.2
175.14844	25.0
193.12270	1.9
193.15900	19.8
211.15118	1.9
211.16809	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01863	3.3
55.05520	16.9
56.05021	3.5
56.96581	1.3
57.03429	4.2
57.07066	3.8
57.23788	1.1
59.05005	3.1
65.03935	1.3
67.05189	1.8
67.05515	25.1
69.03450	7.1
69.07072	10.7
70.06592	3.9
71.05000	8.6
71.51228	1.3
72.08150	1.9
79.05505	10.7
81.03423	8.1
81.07072	22.3
83.01366	1.8
83.04991	12.2
83.08629	8.3
84.04545	1.5
84.08147	3.7
85.06557	4.1
86.09720	1.4
91.05489	16.9
92.05785	1.3
93.07048	18.4
94.07390	1.3
95.04981	100.0
95.08625	28.6
96.04526	1.4
96.05343	1.9
97.02889	1.6
97.06535	5.1
97.10178	1.3
97.48391	1.1
98.09683	1.7
98.97585	2.2
99.04456	8.2
99.08106	57.2
101.06033	3.5
105.03408	8.8
105.07040	11.4
107.04967	4.1
107.08610	16.0
109.06541	8.1
109.10172	40.9
111.08060	4.0
112.07581	1.9
113.06030	3.3
113.09649	1.6
117.07029	1.9
119.04932	2.2
119.08596	16.2
120.08080	2.9
120.08895	1.7
121.06514	4.3
121.08565	1.2
121.10183	5.6
122.06026	1.9
122.09659	4.7
123.04441	2.6
123.08083	4.1
123.11706	4.8
125.05997	1.4
125.09626	5.2
126.09940	2.4
127.07533	1.9
129.06996	2.6
131.08560	2.9
133.10150	35.6
135.04416	1.4
135.08040	2.1
135.11716	12.6
136.07607	1.7
137.06015	6.8
137.08005	2.1
137.09633	54.1
137.11417	2.6
140.10742	2.7
147.04413	2.8
147.08037	2.4
147.11703	4.1
149.06030	1.7
149.09631	1.6
149.13258	3.9
150.10007	1.4
150.86620	1.2
151.03960	2.2
151.07610	1.8
151.11247	2.5
153.05331	1.7
153.11816	1.9
154.12277	1.4
155.08583	2.1
155.10693	28.7
155.12595	6.0
157.10092	1.4
165.05487	4.2
165.09099	2.8
165.11066	3.4
165.12761	1.2
165.16438	2.3
169.15086	1.4
170.92792	1.2
175.07530	1.9
175.09500	2.3
175.11162	2.9
175.12466	2.1
175.14879	13.0
188.03351	1.4
193.00211	2.7
193.04884	2.1
193.06856	1.4
193.08731	2.2
193.10530	7.4
193.12259	5.0
193.13690	2.1
193.15926	14.2
194.11792	2.0
194.15440	3.3
205.98819	1.6
211.05975	2.2
211.07791	1.6
211.09497	5.2
211.11386	2.5
211.13211	2.9
211.15291	2.4
211.17046	21.5
212.12862	5.7
212.16489	5.0
212.52473	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03930	1.6
55.05276	1.7
55.05511	29.4
57.03419	5.0
57.07067	5.7
59.04997	3.3
63.13293	1.7
63.61540	1.5
65.03933	1.9
67.05511	48.0
69.03092	2.5
69.03435	33.3
69.07071	48.8
71.04665	1.8
71.05001	27.8
71.10851	1.7
71.11166	2.0
71.37170	1.5
79.05499	13.7
80.69536	1.4
81.03447	3.1
81.06599	3.2
81.07060	57.6
83.04497	2.1
83.04984	30.0
83.08228	1.7
83.08630	20.0
83.26143	1.6
85.02892	1.7
85.06538	9.4
87.08092	4.5
91.05480	13.0
93.06492	2.3
93.07043	32.0
95.04961	4.9
95.08609	89.7
97.02888	4.3
97.06523	15.1
97.10178	11.6
99.04433	1.6
99.08092	31.0
105.07034	22.8
107.08594	36.8
109.06540	10.4
109.10159	100.0
111.08086	76.0
111.11790	1.6
113.09641	24.3
115.11219	1.6
117.07058	1.6
119.08580	31.7
121.10141	13.5
123.08077	14.8
123.11705	10.7
125.09622	6.1
127.07542	2.4
127.11166	3.5
131.08533	2.7
133.10141	32.3
133.36549	1.5
135.11696	32.0
137.09628	22.2
137.13254	2.6
139.11179	1.5
141.09105	7.5
142.01140	1.6
145.51376	1.5
145.61877	1.4
147.11678	7.3
149.13274	7.6
151.07556	4.5
151.11198	5.9
151.14835	5.5
153.12685	6.4
155.10658	8.7
165.16385	2.3
175.14842	33.4
193.15877	25.9
194.06329	1.7
211.09668	4.4
211.14912	3.8
211.16931	78.0
212.14336	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	1S-Acetoxy-3-myodesertene
Peak:m/z	Relative Intensity
53.03944	3.0
55.01873	4.3
55.05516	24.8
56.96297	3.7
56.96566	47.0
57.03443	19.5
57.07071	6.0
59.04997	4.2
60.97374	2.0
65.03938	3.4
67.05506	51.0
69.03429	11.7
69.06734	2.4
69.07069	17.9
70.06580	6.5
70.15701	5.7
71.05007	10.5
71.08634	4.2
79.05492	27.8
81.03419	20.6
81.07061	90.1
83.04987	20.0
83.08625	18.9
84.08156	3.8
84.96033	8.8
85.02911	86.1
85.06561	6.4
91.05486	32.8
93.07051	31.2
93.28648	1.9
93.50538	1.8
94.04148	2.2
95.04977	42.3
95.08617	43.1
97.02872	3.0
97.05299	2.1
97.06538	13.7
97.10149	4.1
97.99187	18.7
98.09743	2.1
99.04456	4.0
99.08096	7.2
103.05450	3.3
105.06313	2.5
105.07030	49.3
105.07692	3.3
107.04977	8.0
107.08599	52.6
109.06523	100.0
109.10159	57.1
111.04454	4.3
111.08092	15.4
113.06002	5.6
113.09628	3.6
115.05448	2.4
116.00236	8.8
117.07035	5.8
119.06074	1.7
119.08582	22.0
121.06503	9.1
121.10156	16.1
123.04440	2.7
123.08079	63.8
123.11716	27.0
125.05981	5.6
125.09654	12.8
127.07568	4.1
127.11158	2.2
128.06227	4.9
129.06984	4.0
131.08577	7.5
133.06519	12.1
133.10150	37.8
135.08070	19.6
135.11629	10.3
137.05995	9.7
137.09618	10.5
137.13249	6.1
139.11200	2.0
141.07014	3.7
143.08583	7.4
146.07288	7.8
147.11671	14.2
149.09636	3.8
149.13312	2.9
151.07579	7.2
151.11191	54.7
151.14836	2.4
153.09109	12.2
155.08617	6.9
155.10698	4.0
156.09387	5.2
157.10165	6.0
161.09625	43.3
165.12766	6.4
167.08632	3.2
167.10672	7.1
168.09358	2.9
169.10118	25.1
169.12253	47.5
170.10869	4.8
175.11150	9.7
175.14813	9.7
179.05357	3.4
179.10674	11.9
181.10156	15.1
182.10950	2.2
183.06554	2.3
183.11711	6.8
193.12244	31.4
193.15945	7.3
196.08821	2.7
196.12474	20.5
210.03246	2.0
211.07774	2.1
211.11107	5.1
211.13284	56.1
211.14876	52.8
211.17047	3.5
227.04362	2.1
232.59592	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03939	7.2
55.01876	11.9
55.05513	47.8
56.96567	25.8
57.03444	12.9
57.07058	5.8
59.04982	7.1
67.05506	57.2
68.99797	2.2
69.03429	22.8
69.07069	56.2
69.41957	11.1
70.06606	7.7
71.04659	2.4
71.04997	23.9
72.08137	2.9
73.06503	1.9
75.04459	1.9
79.05493	45.0
81.03419	100.0
81.07058	84.0
83.04492	3.3
83.04983	67.2
83.08157	3.0
83.08622	47.1
84.08125	4.9
84.96005	4.4
85.02863	3.1
85.06551	11.9
86.09692	3.2
87.04472	2.3
91.05482	49.5
91.87348	1.6
93.07046	40.7
94.77448	1.5
95.04380	2.4
95.04968	49.3
95.08606	57.8
97.02870	10.0
97.06536	20.1
97.10164	9.2
97.99181	10.5
99.04445	8.3
99.08104	13.6
105.07034	44.1
107.04974	10.7
107.08596	38.1
109.06523	27.2
109.10160	61.5
111.04446	53.1
111.05216	2.5
111.08076	20.9
113.05991	3.3
113.09634	4.7
115.07551	3.7
116.00187	4.3
117.07001	4.6
119.04922	2.2
119.08590	67.4
120.08118	2.7
121.06532	4.0
121.10139	20.8
123.04435	29.4
123.08072	17.6
123.11705	31.3
124.28171	1.7
125.06001	3.7
125.09617	4.9
127.03937	4.9
127.07527	4.2
128.06200	1.7
129.07010	15.7
129.10202	1.9
131.08574	16.9
133.06514	5.7
133.10135	80.1
135.08041	4.8
135.11693	69.5
135.12730	3.0
137.05975	9.0
137.09625	20.3
137.13213	2.8
139.07500	2.4
139.11205	2.8
140.11427	1.8
141.12698	3.0
142.07771	3.2
143.08559	4.6
145.10115	2.8
146.07323	1.7
147.08028	6.1
147.11693	27.1
149.09644	8.6
149.13228	5.2
151.07478	3.3
151.11183	15.6
151.14828	4.9
152.07080	3.7
153.12735	7.0
155.08528	6.8
157.10117	20.3
161.09613	12.9
165.05501	3.3
165.09087	4.0
165.12741	7.4
165.16400	2.3
167.08647	2.5
169.10149	12.1
170.07779	2.2
174.20648	1.7
175.11198	26.4
175.14824	49.3
179.10646	8.8
181.10097	5.5
183.11740	3.2
193.08530	2.3
193.12248	60.7
193.15889	19.4
194.08058	4.4
196.12465	6.0
205.98854	2.2
211.05862	1.9
211.07704	4.9
211.11116	6.0
211.13255	29.6
211.14862	20.7
211.16943	23.4
212.12909	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1332
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02380	0.9
53.03948	3.8
55.01875	6.2
55.05513	41.8
56.96558	5.5
57.03183	1.2
57.03441	10.0
57.07065	2.9
59.05003	1.8
65.03928	1.4
67.05505	38.3
69.03429	14.3
69.07070	17.4
70.06594	2.0
71.04996	14.3
71.08622	0.7
72.08160	1.3
72.46474	0.7
73.02901	1.0
79.05493	34.6
80.05831	0.8
81.03419	100.0
81.07056	48.8
81.07443	0.8
83.04983	47.8
83.08622	37.8
83.09055	0.7
84.08149	2.1
84.96026	1.3
85.02914	3.0
85.06541	6.6
86.09714	1.2
87.04470	1.0
91.05482	37.6
93.07050	31.5
95.04971	37.0
95.05573	1.8
95.08610	28.2
97.02885	3.8
97.06525	9.1
97.10178	9.0
97.99178	1.6
98.06897	0.8
98.20703	1.4
99.04430	3.6
99.08100	4.6
101.06037	0.9
105.04488	1.3
105.07034	31.0
107.04954	6.7
107.08596	21.6
109.06508	10.6
109.10159	15.7
111.04476	3.8
111.08079	18.9
113.02325	0.9
113.06007	1.6
113.09643	1.3
115.05421	1.8
116.00206	1.1
117.07018	2.4
119.04939	1.3
119.08582	29.5
120.08146	1.1
120.08921	1.5
121.06513	2.7
121.10151	13.6
122.09630	2.1
123.04407	1.3
123.08072	5.5
123.11702	10.2
125.09632	5.2
127.07547	2.5
129.07011	13.5
131.08574	13.4
133.06477	3.5
133.10133	23.4
133.11111	1.6
135.11690	12.8
137.05978	2.3
137.07973	1.7
137.09596	8.3
137.13258	2.6
139.11195	2.0
140.11513	3.2
141.06972	0.9
142.07762	3.0
145.10112	2.2
147.08064	5.0
147.11696	19.7
148.08389	1.4
149.09598	8.2
149.13248	2.1
151.07512	1.1
151.11185	3.5
151.14822	1.1
153.09146	1.1
153.12753	1.4
155.08565	2.3
157.10133	17.8
157.11346	1.5
165.09105	0.9
165.11067	2.0
165.12753	6.5
166.09445	2.5
167.10817	0.9
169.10161	5.4
175.11176	20.9
175.12567	1.5
175.14809	13.6
177.01851	0.8
181.10213	1.0
183.06506	0.8
183.11772	1.1
193.12247	56.5
193.15851	4.6
196.12431	2.1
211.07764	1.3
211.09645	1.5
211.11487	3.2
211.13295	26.9
211.14937	5.7
211.16942	6.0
212.12837	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03938	4.2
55.01880	5.6
55.05515	42.4
56.61810	1.2
56.96552	2.2
57.03433	7.4
57.07074	1.3
58.22160	1.0
59.05001	1.4
65.03947	1.5
67.05508	31.6
69.03433	9.1
69.07068	10.2
70.49310	3.2
71.04999	5.9
71.96723	1.0
79.04791	1.0
79.05503	32.9
81.03423	100.0
81.06594	1.9
81.07064	38.6
83.04985	49.5
83.08624	37.9
83.09010	0.6
83.09124	1.2
85.02884	1.4
85.06547	3.1
91.04910	1.6
91.05486	33.7
93.07049	21.5
95.04974	38.5
95.08614	13.8
95.80120	1.0
97.02891	4.0
97.06529	4.6
97.10173	7.2
99.08091	1.7
102.03757	0.9
102.34449	1.2
105.04529	1.1
105.07034	26.1
107.04974	7.5
107.08602	11.5
109.06527	6.8
109.10136	3.6
111.04427	2.8
111.08089	15.3
113.05969	1.2
117.52948	1.0
119.04887	1.2
119.08586	22.4
121.06496	2.4
121.10146	11.3
123.08066	4.7
123.11692	2.6
125.09655	2.4
127.07552	1.0
128.06195	1.2
129.07040	12.6
131.08585	11.8
133.06493	3.9
133.10146	15.3
135.11661	2.3
137.09610	2.8
142.07764	3.4
145.10092	1.5
147.08080	3.3
147.11702	18.8
149.09645	7.0
151.07436	0.9
151.11160	1.2
155.08553	1.6
157.10139	15.0
165.09106	3.9
165.12767	3.2
169.10133	2.3
175.11194	21.2
175.14738	1.8
181.10135	1.7
183.11739	1.1
193.12248	55.7
193.15930	1.7
196.12489	2.4
211.13219	26.1
211.14899	4.7
211.16826	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03933	4.2
55.01879	5.8
55.05513	39.3
56.96304	1.8
56.96569	27.1
57.03429	7.2
57.07056	2.4
59.04998	1.8
65.03922	1.2
67.05507	29.7
69.03429	10.1
69.07074	11.3
70.12448	3.6
70.12792	1.3
71.04994	6.1
79.05490	29.3
81.03421	100.0
81.07062	39.8
83.04984	49.5
83.08621	33.9
84.96023	4.5
85.02888	1.8
85.06539	3.7
91.05486	34.3
93.07055	18.0
95.04974	28.9
95.08605	14.0
97.02900	5.4
97.06559	6.0
97.10171	8.5
97.99182	11.9
99.04449	1.8
99.08083	3.1
105.03290	1.4
105.07037	26.3
107.04960	6.4
107.08602	8.1
109.06500	7.1
109.10164	6.2
110.06011	1.2
111.04446	2.5
111.08092	16.6
113.05988	1.4
115.05466	1.9
116.00220	5.8
116.17733	1.0
117.06948	2.5
119.04954	1.6
119.08591	21.6
121.06477	1.8
121.10139	8.9
123.08096	6.9
123.11684	2.5
125.05981	1.4
125.09636	3.0
127.07526	1.7
127.45650	1.1
129.07007	10.5
131.08580	11.4
133.06500	3.1
133.10132	14.9
135.11682	2.7
137.05983	1.4
137.09581	3.6
142.07791	3.0
147.08026	4.3
147.11676	17.5
149.09639	8.7
151.11177	1.9
155.08542	2.4
157.08948	1.6
157.10143	16.5
163.02180	1.0
164.97034	1.1
165.12753	3.2
169.10144	3.4
175.11186	22.6
175.14735	1.5
181.10072	2.3
183.11705	1.3
185.33092	0.9
193.12248	52.5
196.12476	2.4
205.98755	1.2
211.07692	1.6
211.11116	4.5
211.13193	30.1
211.14856	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	210.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.3
53.69566	0.2
55.05527	0.6
56.96570	0.8
57.03446	0.3
67.05497	0.7
69.03423	1.0
69.07069	0.6
70.06586	0.8
71.04996	15.0
71.51393	0.3
79.05499	1.2
80.05027	0.8
81.03420	0.4
81.05809	0.8
81.07059	3.1
82.07398	0.2
83.08617	0.3
84.08141	0.5
91.05490	1.6
92.05822	0.2
93.07047	1.5
94.06567	3.1
94.07393	0.4
94.45755	0.2
95.04973	0.8
95.08599	0.6
97.06520	0.5
98.72794	0.2
104.05800	0.2
105.07025	1.7
106.06558	0.4
106.07310	0.3
107.07343	5.0
107.08602	0.8
108.08128	1.7
108.08892	0.5
109.06501	1.2
109.10155	0.4
110.06116	0.4
110.06876	0.6
110.10459	0.4
113.09647	7.9
118.06583	0.3
119.08598	0.6
120.08089	0.5
121.06514	0.4
121.10075	0.3
122.09672	100.0
123.04427	0.4
123.08069	0.3
123.10025	0.3
124.03936	0.5
126.09934	0.2
132.08917	0.2
133.10141	0.4
134.06058	0.3
135.06808	0.4
136.07545	0.5
136.08458	0.2
136.11160	0.3
137.09642	0.3
139.11154	1.3
145.06335	0.2
147.08057	0.5
149.09651	0.3
150.09134	6.7
150.12770	0.7
152.11589	0.4
154.08559	0.4
154.12248	0.3
155.20078	0.2
163.97720	0.5
164.07054	0.8
164.10699	0.7
164.15123	0.3
165.09094	1.1
174.13599	0.4
178.09537	0.2
181.98750	0.3
182.11771	16.7
186.99304	0.4
192.06558	0.5
192.10204	0.7
192.14636	0.9
193.12143	0.3
210.07669	1.2
210.11253	13.7
210.15094	1.0
211.14894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	1S-Acetoxy-3-myodesertene
Peak:m/z	Relative Intensity
53.03941	2.3
55.01874	2.0
55.05511	7.5
56.96561	8.8
57.03439	6.0
57.07086	2.2
65.03922	2.4
67.05138	1.0
67.05505	19.3
68.57884	0.9
69.03436	5.1
69.07076	5.1
70.58239	1.3
70.58563	1.9
71.05009	6.5
79.05504	14.6
81.03437	4.8
81.07059	55.8
83.04990	4.6
83.08614	2.3
84.08120	0.9
84.96024	2.8
85.06512	1.6
86.24132	1.3
91.05480	19.8
93.07047	9.7
94.04212	1.1
95.04975	24.0
95.08623	8.9
97.06523	2.4
97.99174	2.9
105.07037	38.8
107.04935	3.3
107.08601	35.5
109.06520	100.0
109.09473	1.7
109.10159	24.2
111.08105	1.5
113.05994	2.5
113.09657	3.2
115.05420	2.6
116.00240	1.3
117.07018	2.3
119.06050	3.4
119.08569	4.0
121.06498	6.2
121.10154	2.8
121.23509	0.9
123.08097	10.4
123.11707	20.0
125.05993	1.3
128.06201	3.0
131.08575	3.0
132.05766	1.3
132.90347	0.9
133.06476	12.3
133.10132	24.4
135.08060	18.9
135.11688	2.6
137.05992	1.9
137.09631	7.2
137.13318	1.3
143.08553	4.9
146.07274	6.3
147.11697	2.2
149.09631	1.1
151.07544	4.1
151.11180	43.2
161.09625	49.0
165.09064	1.2
165.12762	1.6
167.10657	2.2
169.10051	1.3
175.11232	2.0
175.14867	1.4
179.10667	12.9
193.12254	4.4
196.12561	1.2
211.11244	1.8
211.13249	3.1
211.14900	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1649
Annotation	N-Methyltetrahydrocytisine
Peak:m/z	Relative Intensity
52.43964	0.5
53.03927	1.3
53.80259	0.5
55.01852	1.0
55.05275	0.5
55.05511	6.9
56.05030	1.1
56.96526	0.5
57.03422	1.2
57.07071	3.2
59.04998	0.7
67.05513	7.5
68.05016	1.2
69.03439	2.6
69.04526	1.0
69.06732	0.6
69.07075	7.2
69.48148	3.5
70.06564	1.9
71.04977	2.0
79.05135	0.5
79.05499	5.4
81.03413	1.0
81.06657	0.6
81.07063	7.5
82.06576	1.1
82.94865	1.0
83.04971	2.9
83.07365	8.5
83.08608	2.0
84.08153	3.6
85.06548	9.1
86.09704	0.8
89.06020	0.5
91.05493	4.6
93.07054	7.6
95.04981	11.4
95.06045	0.6
95.08615	5.6
96.08138	6.1
97.02868	1.7
97.06521	2.4
97.10179	1.0
98.09681	1.7
99.04459	1.7
99.08114	0.7
103.05492	2.7
105.03384	0.6
105.07057	4.7
107.04966	1.6
107.08598	9.3
109.02846	0.6
109.05801	1.1
109.06529	18.3
109.10146	3.9
110.09680	1.0
111.04417	1.1
111.08081	1.7
112.07606	1.0
117.07015	1.4
117.95991	6.6
118.96766	2.9
119.08589	2.3
119.59830	0.6
121.06537	3.8
121.07642	2.3
121.10146	5.5
121.99386	0.6
123.09200	100.0
123.97463	1.9
125.06029	0.8
125.09643	2.5
125.11594	0.9
127.03922	1.7
129.07045	0.9
131.04948	3.8
131.08554	4.8
133.06462	0.6
133.10124	2.6
135.08083	6.4
135.11711	2.0
135.96983	3.8
137.09668	0.7
139.07573	1.0
139.08655	0.9
144.94763	0.6
145.01003	1.7
145.10150	2.8
147.08148	0.6
147.11737	1.2
149.06017	1.2
149.09647	5.4
149.13284	2.5
151.11191	2.9
153.09111	1.8
158.98680	1.5
159.08095	0.7
162.95888	0.7
163.02061	1.5
163.11229	2.5
163.14879	1.8
165.09134	0.6
165.12755	4.1
167.14386	1.3
167.96451	1.5
173.13309	3.1
177.05557	0.6
177.09187	2.3
177.88731	0.5
179.08679	1.3
181.10124	0.7
182.15431	6.8
185.97429	1.2
185.99738	1.3
191.08783	0.6
191.10770	1.6
191.14278	6.9
193.73126	0.6
194.11046	1.2
208.99321	0.7
209.01497	0.6
209.04567	0.7
209.09735	3.6
209.11804	2.6
209.13367	2.6
209.16588	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.29766	0.4
53.03950	0.6
55.01886	0.9
55.05521	3.1
57.03442	0.8
57.07080	1.2
59.05011	1.6
65.03948	0.4
67.05513	4.8
69.03438	5.9
69.04565	0.9
69.07074	4.7
70.06610	0.8
70.90458	1.0
71.04999	5.7
79.05495	4.5
81.03424	0.8
81.07063	8.4
83.04992	6.0
83.08634	1.8
85.06557	0.8
86.09717	0.5
91.05486	3.7
92.19753	0.4
93.07060	7.2
95.04970	5.1
95.08617	10.0
97.06548	2.8
97.10172	0.5
99.04444	0.6
99.08084	1.1
99.33057	0.4
103.05441	0.9
105.07040	4.8
107.04955	1.2
107.08607	21.1
109.06532	8.5
109.07666	0.6
109.10173	12.5
111.04464	0.4
111.08078	1.9
117.07013	1.0
117.95941	0.5
119.08571	2.6
121.06521	6.2
121.10157	12.1
121.11037	0.6
123.08085	2.4
123.11727	1.6
123.97493	0.5
125.09642	5.4
131.04935	0.9
131.08600	3.3
133.10141	5.7
135.08076	10.4
135.11674	3.0
136.08870	0.7
137.09633	0.9
139.11177	3.7
143.08588	0.6
145.10147	3.6
147.08113	0.4
147.11705	6.4
148.08800	1.4
149.06023	1.2
149.09656	5.0
149.13271	6.2
151.11197	100.0
151.59956	0.4
152.11475	0.5
153.09088	1.2
158.10928	1.1
163.11232	3.1
163.14864	5.5
165.12727	2.5
167.14304	0.6
173.13269	7.1
175.36580	0.4
177.09085	0.5
177.13922	0.7
185.97443	0.4
191.14328	63.0
209.09784	0.9
209.11899	0.8
209.13361	0.6
209.15369	12.0
209.16736	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	209.1539
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03943	5.8
55.01860	5.6
55.05517	100.0
55.43766	1.2
57.03427	4.8
57.07069	4.0
59.04984	3.2
65.03932	1.9
67.05510	21.1
69.03429	11.2
69.07079	12.1
69.85754	2.3
69.86152	3.1
70.06588	2.0
71.04995	11.6
72.44451	1.1
79.05499	16.0
81.03391	3.0
81.07059	33.8
83.04990	72.0
83.08626	53.1
84.08149	3.1
85.06574	7.2
86.09740	2.3
91.05487	13.9
91.81912	1.2
93.06489	2.5
93.07055	36.1
95.04974	85.2
95.08060	2.0
95.08617	23.2
96.05738	1.4
97.06525	10.2
97.10184	13.9
99.04457	16.4
99.08105	3.0
101.53345	1.3
103.05486	3.0
105.03399	1.6
105.07035	21.2
107.04965	4.3
107.08601	48.6
109.06528	21.4
109.10165	30.2
111.04435	3.4
111.08076	14.7
112.08821	1.4
113.09641	1.7
117.07035	6.4
117.96027	1.9
118.04713	1.1
119.04983	1.1
119.08604	10.1
121.06519	14.9
121.09344	1.0
121.10152	25.6
123.08055	5.9
123.11722	13.2
125.09643	16.1
125.11648	1.6
130.07735	1.4
131.04939	3.9
131.08566	8.7
133.10158	14.9
135.08066	17.0
135.11707	15.7
137.09592	1.8
139.07538	1.5
139.11194	2.6
143.08553	1.4
145.10143	15.0
147.08101	1.3
147.11678	5.4
149.02414	1.3
149.05978	5.0
149.09634	12.9
149.13261	12.8
150.22974	1.2
150.39766	1.1
151.11186	59.8
153.09122	26.4
158.96475	1.3
163.11200	25.5
163.14847	6.6
165.09004	1.2
165.12785	4.2
167.14330	79.5
173.09612	3.4
173.13297	13.9
175.59108	1.2
177.05411	2.4
177.08987	1.2
179.08640	1.5
185.97581	1.3
191.09154	1.6
191.10660	6.7
191.14328	19.2
197.94586	1.3
209.07985	1.8
209.11769	6.9
209.15381	58.4
212.98305	1.2
213.37996	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.47711	0.5
53.03944	1.6
55.01859	1.9
55.05509	8.4
57.03439	1.2
57.07073	3.3
59.04995	2.4
66.09826	0.5
67.05502	9.2
69.03432	11.6
69.07071	13.8
70.02721	2.4
70.06557	0.7
71.04993	7.5
77.03906	0.6
79.05494	9.1
81.03410	1.7
81.06593	1.1
81.07057	20.9
83.04984	12.3
83.08629	4.4
84.08120	1.2
85.06552	1.4
86.09698	0.7
91.05482	9.3
93.07041	16.2
94.93644	0.5
95.04977	7.2
95.08608	28.0
97.06531	6.4
97.10168	0.7
98.32866	0.6
99.04450	1.5
99.08091	4.5
103.05464	1.3
105.06318	0.9
105.07035	18.0
107.04952	1.8
107.08595	46.4
109.06522	31.2
109.10160	18.0
110.07204	1.1
111.03153	0.7
111.08078	4.9
113.09658	0.8
115.05414	0.9
116.06204	0.7
117.07056	3.9
119.06045	0.6
119.08581	8.5
121.06514	7.8
121.10146	39.3
122.07282	2.2
123.08068	7.9
123.11696	4.3
125.05966	1.0
125.08762	1.3
125.09629	12.2
125.47177	0.5
129.07007	1.1
129.80719	0.5
130.07776	1.0
131.04921	0.9
131.08571	7.4
133.06528	1.1
133.10135	33.6
134.07204	0.7
135.08055	25.2
135.11676	7.7
136.08748	0.7
137.09624	20.1
138.38322	0.6
139.07547	1.2
139.11195	5.0
143.08546	1.7
144.09370	0.6
145.10130	8.4
146.64165	0.5
147.08098	0.7
147.11702	8.4
148.08809	0.6
149.05989	0.9
149.09634	12.9
149.13264	21.5
151.03789	0.6
151.11185	100.0
153.09151	3.2
153.14677	0.6
158.10931	3.8
163.11195	12.7
163.14830	9.0
165.12756	11.9
167.10658	1.1
167.14296	1.0
173.09653	1.1
173.13272	17.5
185.97507	0.7
191.10735	3.0
191.14308	51.1
209.09836	1.1
209.11763	1.6
209.15373	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.33806	2.3
53.03944	5.3
55.01868	3.0
55.05505	13.3
57.02377	1.8
57.03443	3.0
57.07056	6.1
59.04993	4.6
59.09214	2.0
65.03932	2.2
67.05508	16.1
69.03440	16.2
69.07068	31.6
69.82356	3.9
69.82748	10.4
70.06589	4.2
71.04990	12.4
79.05499	20.1
79.57915	1.8
79.92285	1.8
80.05025	3.0
81.03418	2.2
81.07059	28.7
83.04986	26.5
83.08620	8.9
84.04523	3.9
84.08134	8.0
85.06532	6.2
86.09692	4.8
91.05489	19.9
93.07053	42.7
95.04966	8.6
95.08615	43.4
97.06551	13.9
99.04456	4.5
99.08092	3.0
103.05484	6.0
105.07052	23.8
107.04977	3.8
107.08602	88.1
109.06519	21.8
109.10172	22.0
110.07178	2.2
111.04450	2.1
111.08076	11.3
113.05999	5.6
113.09687	2.3
117.07046	4.9
119.08601	23.7
120.08128	2.2
121.06512	14.4
121.10146	59.7
123.08057	10.8
123.11695	5.0
125.09655	13.4
128.54652	2.4
130.05150	2.4
131.04942	2.9
131.08562	24.6
133.10144	46.9
135.08060	22.4
135.11696	30.9
137.09608	6.2
139.11203	6.8
143.08638	2.9
145.10118	10.7
147.11707	15.8
149.09642	15.5
149.13280	25.2
151.11197	71.0
153.09138	14.4
154.12302	3.3
158.10976	6.6
161.13278	33.0
163.07549	4.2
163.11195	8.2
163.14838	32.7
165.12721	3.4
166.04991	4.1
167.10715	2.2
167.14357	3.0
167.96475	3.4
173.13284	40.5
179.14325	6.3
185.97552	3.3
191.10632	3.8
191.14322	100.0
192.40314	2.2
209.05632	2.3
209.09755	2.2
209.11719	3.5
209.15379	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	1.7
55.05509	3.0
57.03423	0.5
57.07071	2.1
59.04985	1.5
65.16605	0.4
67.05510	4.0
69.03433	12.2
69.07062	4.7
70.04943	0.7
70.05294	1.2
70.54833	0.4
71.04983	1.2
79.05490	3.0
79.69622	0.4
81.03422	9.4
81.07056	8.7
83.04984	3.5
83.08614	1.1
85.06541	0.6
91.05490	2.5
93.07047	5.0
95.04967	7.1
95.08605	11.6
97.02878	1.2
97.06526	0.9
98.20793	0.4
99.04439	0.8
99.08100	1.0
103.05477	0.4
105.07029	5.7
107.04967	0.5
107.08598	10.6
109.06522	16.7
109.10140	3.2
110.07290	0.5
111.08088	0.8
117.07036	0.8
119.08579	5.8
121.06496	2.1
121.10141	13.8
123.08070	10.6
123.11704	6.7
125.09650	0.8
127.03906	0.5
129.22993	0.4
131.08592	2.0
133.10118	1.4
134.93394	0.4
135.08052	2.9
135.11703	1.3
137.09602	2.7
137.13255	2.2
145.10129	0.9
147.11694	4.3
149.09616	10.3
149.13252	7.9
151.11182	6.4
158.10924	0.5
163.11172	1.3
163.14822	1.4
165.12753	100.0
166.13104	0.6
173.13226	1.9
177.09128	0.6
191.14301	4.2
209.15369	54.3
210.15643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.94613	2.0
53.03944	3.8
55.01865	4.1
55.05508	18.4
57.03436	3.5
57.07061	7.9
59.04993	3.4
60.65620	2.1
67.05510	16.4
68.69802	1.7
69.03432	13.6
69.07068	20.1
69.26064	19.3
70.06612	2.5
71.04990	8.0
75.03802	1.7
79.05495	21.0
81.07056	36.1
83.04984	24.5
83.08624	12.1
84.08113	3.6
85.06513	4.8
86.40902	1.9
88.83038	1.9
91.05486	21.5
93.07042	39.4
95.04964	31.7
95.08605	44.5
97.06519	12.9
97.10164	4.1
97.40994	2.0
98.21528	4.5
99.04458	5.6
99.08076	3.0
102.75981	1.9
103.05444	3.4
105.07028	27.0
105.65336	1.9
107.04962	4.6
107.08598	100.0
109.05807	3.1
109.06528	50.4
109.10156	33.7
111.04408	2.3
111.08118	11.5
117.07008	8.5
119.08590	18.2
121.06512	22.2
121.10147	50.0
123.08083	12.7
123.11732	13.2
125.09625	8.2
130.07721	2.3
131.08560	19.7
133.10124	34.7
135.08057	38.2
135.11694	32.9
137.09644	10.2
137.13290	3.3
139.07529	7.7
139.11139	2.1
143.08556	3.1
145.10136	19.1
147.11690	24.3
149.05962	7.2
149.09595	13.7
149.13274	32.3
151.11177	39.7
153.09099	15.6
158.10921	4.6
163.11214	15.8
163.13454	2.5
163.14812	35.4
165.12759	6.2
167.14325	10.8
173.13283	46.7
174.15016	2.1
191.10684	5.7
191.14308	83.9
209.04404	3.2
209.11781	4.5
209.13826	2.8
209.15372	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01867	0.9
55.05516	19.5
57.03451	1.2
57.07074	2.3
59.05017	1.9
67.05513	4.8
69.03440	5.9
69.07074	3.4
71.04998	6.4
79.05502	2.9
81.07062	6.3
83.04994	17.8
83.08633	9.7
84.08159	1.1
85.06552	2.2
91.05492	2.0
93.07050	7.0
95.04981	100.0
95.08627	5.8
97.06548	3.9
97.10175	5.0
99.04469	20.0
99.08105	3.0
105.07064	3.7
107.04971	11.7
107.08611	11.1
109.06541	8.2
109.10168	8.1
110.09586	0.8
111.08083	5.0
113.05997	1.7
119.08617	1.8
121.06506	1.2
121.10170	7.3
122.09687	1.2
123.08106	1.6
123.11713	3.4
125.08779	1.3
125.09650	21.7
129.93193	0.7
131.08562	1.8
133.10168	9.9
135.08124	4.3
135.11684	1.6
139.07549	0.9
147.11693	0.8
149.09644	14.9
149.13283	4.7
151.11195	17.0
153.09120	30.7
153.10365	1.7
157.76082	1.0
158.10962	0.7
163.14851	3.3
164.10745	1.7
165.12753	0.8
167.14345	16.3
173.13307	5.7
174.09109	0.9
191.14334	10.1
209.15395	36.7
212.88760	0.9
215.96507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.01139	1.3
53.03941	3.3
55.01867	2.3
55.05512	14.1
56.18694	1.0
57.03433	5.0
57.07080	7.9
59.04982	3.3
67.05510	21.2
69.03437	13.0
69.07071	22.1
70.58027	0.9
71.04997	5.6
77.03927	2.0
79.05495	34.5
81.03403	3.4
81.07060	39.8
83.04986	12.5
83.08621	10.6
83.49290	0.9
85.06524	3.8
90.03343	1.0
91.05483	15.4
93.07048	42.7
95.04969	8.2
95.08610	47.9
97.06527	8.5
97.10174	11.6
103.05495	1.2
105.07039	25.1
107.04971	6.9
107.08599	100.0
109.06521	9.7
109.10171	19.8
111.04470	1.4
111.08091	12.3
117.07018	6.9
119.06037	2.0
119.08583	13.1
121.05679	1.8
121.06519	23.5
121.10149	30.5
123.08060	6.3
123.11718	8.3
125.05971	2.5
125.09648	18.5
126.12856	1.1
131.08568	17.5
133.10135	12.5
135.08061	27.6
135.11681	9.6
137.09613	4.9
139.07524	2.4
145.10136	9.2
147.11697	19.3
149.07872	1.6
149.09641	16.7
149.12239	0.8
149.13268	20.9
151.11214	4.9
153.09091	6.2
158.10910	4.1
161.13234	1.9
163.11176	5.7
163.14830	31.1
165.12784	6.3
167.10669	2.5
173.11775	1.9
173.13271	32.7
177.07408	1.8
179.14328	1.2
191.14317	68.5
193.14273	1.1
201.21042	1.0
209.09976	1.9
209.15370	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89274	2.1
53.03952	4.6
55.01878	5.4
55.05518	24.2
57.03455	3.2
57.07072	7.4
59.05007	4.4
67.05519	19.5
69.03434	12.7
69.07079	19.4
69.21266	15.5
69.21681	7.7
70.06603	4.9
71.04987	8.5
79.05502	24.9
81.03426	5.4
81.07064	42.7
83.04993	17.3
83.08632	12.0
84.08161	4.5
85.06561	4.9
91.05482	23.5
93.07058	51.1
95.04985	27.8
95.08614	34.6
97.06547	10.1
97.10168	3.0
99.04455	5.6
99.08086	4.1
103.05453	4.8
105.07043	37.9
106.07307	2.5
107.04981	7.9
107.08607	85.9
109.06534	100.0
109.10169	24.7
111.04394	3.3
111.08098	7.6
115.05421	2.8
117.07044	10.8
119.08598	21.1
121.06535	24.7
121.10155	41.3
123.08138	11.5
123.11703	7.5
125.09645	13.1
125.11506	2.3
131.04913	2.4
131.08614	19.4
133.10143	41.9
135.07028	2.6
135.08067	52.7
135.11700	23.9
137.09645	25.0
139.07536	5.1
139.11208	3.7
143.08598	3.7
145.10156	27.9
147.11694	21.0
149.06012	6.9
149.09631	17.3
149.13272	26.6
151.07581	2.7
151.11198	25.2
153.09120	12.0
158.10933	7.5
163.11183	29.4
163.14877	20.8
165.12755	3.5
167.14337	8.7
173.13290	38.0
191.09122	2.9
191.10698	9.1
191.14331	71.4
209.04625	2.6
209.09865	4.2
209.11743	5.4
209.15419	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03941	2.1
55.01873	4.2
55.05512	8.6
57.03422	1.9
57.07076	1.2
59.04992	0.6
65.03934	0.6
67.05502	8.5
68.99770	0.6
69.03429	7.2
69.07069	5.6
69.16993	4.7
69.26683	0.4
70.06579	0.8
71.04991	4.3
72.40763	0.4
77.03964	0.4
79.05493	16.9
79.41396	0.4
81.03410	2.5
81.07058	32.8
82.94839	0.7
83.04986	5.7
83.08612	1.6
84.08120	0.9
85.06541	3.8
85.56512	0.5
86.09695	0.8
91.05482	11.2
93.07046	34.1
94.07354	0.6
95.04971	8.7
95.08609	7.3
96.33625	0.6
97.06530	5.4
97.10152	1.5
99.04449	4.5
101.05979	0.6
103.05467	1.7
105.03398	0.6
105.04485	0.8
105.07034	37.4
107.04962	4.1
107.08598	33.9
109.02935	0.7
109.06515	12.4
109.10159	2.6
111.08084	1.9
113.06020	1.4
114.65778	0.5
115.05446	1.2
117.07015	8.3
117.96042	0.5
119.08587	16.2
121.06506	19.8
121.10149	24.6
123.08057	4.1
123.11725	1.2
125.06000	1.0
125.09622	1.5
129.07062	1.1
130.07767	3.5
131.04945	1.3
131.08580	4.2
133.06493	1.0
133.10149	2.4
134.07240	0.7
135.04518	0.6
135.08063	14.8
135.11696	14.5
139.07544	1.4
139.11201	0.8
143.08578	1.9
145.10121	39.6
147.08051	1.0
147.11710	3.7
149.05972	2.2
149.09622	9.6
149.13246	2.1
151.07547	0.9
151.11171	4.4
153.09116	1.5
158.07245	0.6
161.09665	0.6
163.11183	100.0
163.14845	1.5
164.11517	0.8
165.09116	0.7
165.12743	6.5
167.07034	0.5
167.14313	0.7
173.09612	5.6
173.13239	1.7
177.09229	0.7
181.12198	2.4
191.10666	19.9
191.14319	5.3
209.09795	0.8
209.11682	13.7
209.15312	9.9
209.19081	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03940	2.3
55.01871	4.6
55.05518	9.3
57.03421	2.0
57.07068	1.1
59.04987	0.9
67.05504	9.2
69.03441	7.1
69.07065	5.2
69.16052	4.3
69.16463	1.8
70.06606	1.3
71.05002	5.0
79.05497	17.8
79.48494	0.6
81.03410	2.4
81.07058	32.6
82.70003	0.6
83.04987	4.8
83.08593	2.3
84.08124	1.3
85.06527	3.5
91.05476	12.5
93.07046	38.0
95.04968	12.7
95.08610	7.7
97.06525	6.6
97.10139	1.0
98.20710	1.1
99.04452	5.2
99.08059	1.0
103.05505	1.4
105.07032	39.8
107.04962	4.2
107.08598	36.6
109.06517	12.3
109.07260	0.8
109.10153	2.7
110.07141	0.6
111.08089	2.1
113.06010	1.4
115.05441	1.0
117.07024	8.6
119.08587	17.6
121.06507	24.1
121.10148	29.3
123.08075	2.9
123.11688	0.7
125.06025	0.9
125.09609	2.3
129.03766	0.7
129.06989	1.0
130.07791	4.1
131.04942	1.3
131.08551	4.7
133.06506	0.6
133.10158	3.2
135.06421	0.8
135.08055	15.5
135.11694	14.0
139.07526	0.9
143.08580	2.3
145.10127	44.2
147.08052	1.2
147.11703	3.7
149.05998	7.9
149.09627	10.7
149.13303	1.8
151.07529	1.5
151.11171	1.5
153.09082	4.7
158.07303	1.0
163.11183	100.0
163.14813	3.9
164.11505	0.8
165.12843	0.9
167.14333	1.1
173.09644	5.4
173.13251	3.2
181.12242	2.1
191.10680	23.2
191.14319	7.6
209.09718	1.0
209.11678	12.6
209.15355	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	209.1177
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03947	5.4
55.01876	17.8
55.05266	1.2
55.05519	16.6
57.03444	5.2
57.07064	2.8
59.04999	1.9
65.03935	3.2
67.05513	27.8
69.03099	0.7
69.03442	10.9
69.07081	12.3
69.61283	5.1
70.06595	3.0
71.05002	8.8
73.02906	1.0
77.03960	1.1
79.05501	31.8
81.02982	1.2
81.03426	13.8
81.07066	48.9
82.94846	1.6
83.04993	35.8
83.08623	8.0
84.04493	1.4
84.08157	2.4
85.02906	1.8
85.06552	8.2
86.09702	2.7
89.03929	0.9
91.05487	22.6
93.03408	1.0
93.07057	57.5
95.04987	17.0
95.08620	19.9
97.02873	1.7
97.06546	13.2
97.10152	2.7
99.04471	6.7
99.08081	2.2
101.02398	1.1
103.05457	4.0
105.03396	1.1
105.04545	1.3
105.07046	38.0
107.04967	10.0
107.08609	51.6
108.08920	0.7
109.02896	1.1
109.06530	21.3
109.10159	11.7
110.07217	0.9
111.04459	27.8
111.05223	1.5
111.08101	14.2
113.06000	2.2
115.05471	1.9
116.06232	0.9
117.07026	13.0
117.95972	1.0
119.08594	19.8
120.08089	1.1
121.06525	29.2
121.10163	38.8
123.04449	1.7
123.08089	5.8
123.11747	4.4
123.97456	1.0
125.05988	3.9
125.09624	4.2
125.11604	2.1
128.06223	1.0
129.06992	3.0
130.07802	4.2
131.04953	5.2
131.08589	13.2
133.06516	1.1
133.10147	7.9
135.06337	0.8
135.08066	25.3
135.11703	26.2
136.07535	1.6
137.05951	1.4
137.09605	1.6
139.07552	1.6
139.11208	4.9
143.08603	1.9
145.06506	2.4
145.10146	48.7
147.08028	3.0
147.11699	6.1
149.06035	6.7
149.09642	22.2
149.13263	5.2
150.09193	1.2
151.07576	1.8
151.11189	5.4
153.07056	1.0
153.09186	3.8
153.12752	11.7
155.08543	3.6
158.07213	0.8
158.10951	1.8
163.07518	2.2
163.11203	100.0
163.14819	7.3
164.10699	2.7
165.06970	0.8
165.09114	2.2
165.12776	3.3
167.07059	1.1
167.14352	2.8
167.96442	1.9
173.09647	10.2
173.13258	8.7
177.05466	1.6
177.09122	1.5
179.08582	1.4
180.14078	0.8
181.06377	0.9
181.12247	10.2
185.97495	1.8
191.07072	1.6
191.10681	30.4
191.14323	17.0
194.02106	0.9
194.10851	1.0
195.02449	0.8
209.04446	1.3
209.06294	1.4
209.08041	1.7
209.09691	3.7
209.11736	20.6
209.13417	2.3
209.15361	21.2
209.19099	1.8
210.11226	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03934	2.8
53.04162	0.8
55.01867	4.9
55.05510	7.0
56.37386	0.6
57.03428	1.6
57.07071	1.6
62.06685	0.7
65.03941	1.8
67.05505	12.1
68.99783	0.9
69.03434	10.2
69.07055	4.3
70.35038	0.7
70.35379	2.1
71.04980	5.5
79.05496	22.6
81.03418	0.8
81.07059	19.5
83.04997	6.1
83.08606	0.9
85.06555	5.9
91.05480	15.3
93.07045	52.0
95.04981	8.8
95.08582	3.6
97.06540	6.7
99.04463	7.0
103.05414	1.0
105.07034	37.8
107.04935	3.8
107.08598	46.8
109.06532	11.2
109.10152	1.5
111.08089	1.3
113.06000	2.6
117.07027	11.1
119.08582	25.2
121.06508	26.2
121.10144	34.7
123.08060	5.1
125.06032	1.2
127.07524	0.9
129.07034	1.0
130.07774	4.0
131.08582	4.4
133.06482	1.8
133.10135	1.1
135.08061	25.5
135.11691	18.3
139.07492	0.9
143.08553	2.0
145.10129	44.4
147.11693	3.7
149.05939	2.7
149.09624	13.2
151.07573	0.9
155.08522	1.6
163.11182	100.0
164.11473	1.1
167.10675	0.8
173.09633	9.3
181.12218	4.8
191.10674	36.5
209.11736	22.4
209.15152	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	209.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79535	1.1
53.03941	3.0
53.75406	1.0
55.01873	14.4
55.05509	9.0
57.03433	1.6
57.07056	3.5
59.04979	2.1
65.03935	1.3
67.05511	17.6
69.03429	28.8
69.07080	5.9
69.72235	2.5
69.72644	4.2
70.06590	2.2
71.04974	2.8
79.05495	21.8
79.41305	1.1
81.03427	1.8
81.07056	18.9
82.94829	3.3
83.04988	7.7
83.08617	2.8
84.08144	2.6
85.06553	2.6
91.05489	27.8
93.06490	2.5
93.07048	42.3
93.57921	1.1
95.04966	12.1
95.08599	10.8
97.02895	100.0
97.06516	5.1
97.10154	2.1
99.04454	18.3
103.05480	6.5
105.07040	16.5
107.04961	9.2
107.08598	23.8
109.02882	1.4
109.05813	1.8
109.06528	32.3
109.10165	8.8
111.04455	10.9
111.08063	2.8
113.03040	1.2
115.05501	1.1
115.44243	1.2
116.06250	5.8
117.07021	3.1
117.95961	7.4
118.96735	1.8
119.08566	5.4
121.06509	55.4
121.10147	40.1
123.04434	19.3
123.08076	5.1
123.09168	2.7
123.11719	2.2
123.97441	2.6
125.09645	4.2
125.11536	2.2
127.03925	67.0
129.06989	4.1
131.04926	8.0
131.08578	44.6
133.06505	18.9
133.10109	9.2
135.04434	1.6
135.08072	14.8
135.11694	4.7
135.96994	2.8
137.06018	2.1
137.09583	1.9
141.07021	1.4
145.00937	3.7
145.10077	5.2
147.11697	2.5
149.05975	3.5
149.08411	2.1
149.09630	44.1
149.13275	4.1
151.07527	1.4
151.11156	6.0
153.09087	4.0
159.08060	18.2
161.09477	1.3
162.06766	3.3
162.95853	1.6
163.01965	3.4
163.11192	5.8
163.14833	2.6
165.07007	1.4
165.12755	4.6
167.14317	2.1
167.96407	1.9
173.13286	6.7
173.31845	1.4
175.07483	3.2
177.05510	2.6
177.09120	65.9
178.09517	1.3
179.08647	5.7
181.10048	2.3
181.15854	1.2
185.97464	3.7
191.10693	3.5
191.14308	13.3
191.17892	2.5
194.10866	4.8
209.04402	2.9
209.06252	1.5
209.07880	2.3
209.09619	7.1
209.11674	4.1
209.13252	12.9
209.15381	22.5
209.19069	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	209.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01859	0.5
55.05516	2.0
55.79275	0.2
56.05030	0.2
56.53238	0.1
57.07074	2.7
59.04713	0.3
59.05003	5.2
60.05628	0.2
64.24326	0.2
65.03951	0.2
67.05501	1.2
69.03438	1.7
69.07072	0.8
70.06599	1.0
71.04988	0.6
71.42840	0.3
72.08166	0.3
73.02957	0.2
73.06554	0.2
79.05492	2.0
81.03404	0.4
81.07069	1.4
82.94847	0.4
83.04987	1.4
83.08613	0.7
84.04502	0.4
84.08157	1.3
85.02898	0.2
85.06548	3.9
86.09708	1.1
86.15208	0.2
91.05489	1.1
93.07041	1.7
95.04970	1.9
95.08584	0.9
96.04435	0.2
97.02921	0.2
97.06523	0.7
99.04435	0.2
103.05488	0.3
105.03367	0.2
105.04528	0.3
105.07031	1.0
107.04958	100.0
107.08598	2.1
108.05268	0.4
109.06500	1.6
109.10148	0.6
110.07150	0.2
112.08735	0.2
117.07039	0.5
119.08594	0.5
120.08059	0.2
121.02846	0.2
121.06502	1.5
121.10136	1.4
123.08070	0.4
123.11701	0.5
123.97454	0.4
125.09604	1.0
125.11558	0.2
129.10229	0.2
131.04941	0.8
131.08586	0.7
133.10130	1.1
135.08058	1.3
135.11676	0.5
139.07550	0.4
144.94821	0.2
145.10135	0.5
147.04393	0.3
147.11670	0.3
148.07590	0.2
149.05983	0.6
149.09576	0.9
149.13292	0.6
151.11171	0.7
153.09146	0.7
161.09697	0.2
162.95976	0.3
163.07570	0.4
163.11191	0.6
163.14836	0.5
165.05606	0.2
165.12708	0.4
167.07010	1.2
167.14320	0.6
167.96440	0.6
173.09662	0.2
173.13277	0.8
175.07581	0.2
175.11876	0.2
177.05455	0.2
181.04889	0.2
185.97522	0.6
191.06990	0.2
191.10620	0.3
191.14302	2.6
192.06529	0.4
194.02129	1.5
209.04463	1.5
209.09596	0.6
209.11798	1.6
209.15306	3.1
209.19238	0.4
211.01730	0.2
211.06734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03947	2.5
55.01875	5.2
55.05514	11.4
57.03440	1.4
57.07073	1.6
65.03937	1.0
65.32992	0.6
65.34715	0.6
66.62589	0.6
67.05509	13.4
68.99808	1.3
69.03429	10.7
69.07072	4.1
71.04998	6.9
71.17873	0.7
71.18216	1.1
77.03918	0.8
79.05499	23.1
81.03393	0.6
81.06586	1.3
81.07058	18.8
83.04995	9.7
83.08628	2.9
85.06548	7.2
91.05481	16.6
93.07048	51.2
94.32213	0.7
95.04973	13.4
95.08621	4.4
97.06533	8.8
99.04452	7.6
101.06079	1.0
103.05472	1.4
105.07039	40.2
107.04977	3.1
107.08601	46.8
109.06519	12.1
109.10149	2.7
111.08080	2.4
113.06042	3.7
113.06682	0.8
115.05516	1.1
117.07027	12.5
119.08588	27.7
121.06509	29.2
121.10149	39.3
123.08063	4.5
124.62312	0.6
125.06008	1.0
125.09600	2.3
127.07574	1.0
129.07005	1.1
130.07791	4.2
131.08568	5.0
133.06505	1.4
133.10141	2.0
135.08060	27.0
135.11691	17.4
139.07529	1.4
143.08563	1.1
145.10127	49.1
147.08057	1.8
147.11682	2.6
148.08839	0.9
149.05994	1.6
149.09627	13.8
151.07574	0.9
151.11209	3.3
153.09093	2.1
153.12801	1.0
155.08597	1.2
163.11188	100.0
165.09161	0.8
167.14374	4.1
173.09644	9.8
173.13181	0.8
181.12265	4.4
191.10675	37.5
191.14311	2.3
209.09799	1.6
209.11737	22.0
209.15268	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	207.1858
Annotation	DICYCLOHEXYLCARBODIIMIDE
Peak:m/z	Relative Intensity
55.05512	0.2
56.05031	0.2
56.96574	0.2
59.46789	0.1
61.02930	0.1
68.05035	0.1
70.06619	0.2
70.14163	0.2
70.14550	0.2
72.07145	0.1
72.08154	1.1
74.85783	0.1
82.06596	0.3
84.08140	0.8
85.02882	0.3
88.21820	0.1
94.93032	0.3
95.04080	0.1
96.08121	0.9
97.02861	0.1
98.97576	0.2
103.00690	0.1
104.10757	0.9
107.69593	0.1
110.09702	0.2
112.11259	0.4
112.99171	0.1
115.02429	0.2
122.09679	0.3
124.11232	100.0
125.11533	0.7
136.11206	1.1
138.12767	0.6
143.01941	0.1
148.11203	0.2
150.12773	2.5
161.02966	0.3
162.12755	0.4
164.14334	1.5
173.03047	0.1
184.04518	0.2
190.15936	0.8
205.17038	0.3
207.01471	0.4
207.05223	0.2
207.18565	51.8
208.18976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1857
Annotation	DICYCLOHEXYLCARBODIIMIDE
Peak:m/z	Relative Intensity
52.77222	0.3
56.96565	0.8
57.93571	0.8
67.05500	0.7
69.53337	0.3
70.06574	0.5
70.96409	0.9
72.08167	1.6
72.65127	0.3
74.93818	0.7
80.94958	0.9
84.08144	1.2
84.94627	0.7
91.05489	0.4
93.07073	0.5
95.08623	0.7
96.08135	1.1
102.00922	0.3
102.95661	0.5
104.13985	0.3
105.07024	0.5
107.08618	0.3
112.11262	0.7
115.02444	0.5
115.96442	27.6
116.36014	0.3
116.96366	0.5
116.97229	6.0
119.01908	0.5
120.36590	0.3
121.97581	1.5
124.11232	100.0
124.93896	0.4
125.11574	0.7
128.97829	0.3
131.48120	0.5
133.97473	6.0
134.97296	0.5
136.11247	0.9
138.12787	0.8
138.98064	0.6
139.98737	0.6
140.48679	0.4
142.03520	0.8
142.94943	1.0
143.03607	0.9
150.12791	2.8
156.99051	2.4
160.96036	0.7
161.02977	2.3
161.04301	0.4
162.12759	0.4
164.14349	2.0
165.96555	1.5
165.99153	1.0
178.15878	0.5
180.95178	0.9
183.97618	1.4
184.00157	4.6
184.04575	2.4
190.15895	0.7
195.95680	0.4
202.05600	0.4
202.11583	0.3
203.48087	0.3
207.01813	0.5
207.06364	0.4
207.18575	50.7
208.18887	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1858
Annotation	DICYCLOHEXYLCARBODIIMIDE
Peak:m/z	Relative Intensity
55.05514	1.6
56.05042	0.5
60.37483	0.3
65.93649	0.2
68.05034	0.4
68.38499	0.3
69.03431	0.3
69.07063	0.5
70.06596	0.6
70.40757	0.7
72.08154	2.4
79.05496	0.5
81.07051	0.6
82.06571	2.0
83.08626	0.4
84.08147	100.0
85.08466	0.4
85.78676	0.3
91.05494	0.7
93.07028	0.5
94.06595	0.5
95.04993	0.3
95.08610	0.7
96.08138	3.5
96.57224	0.3
98.09702	0.3
98.20876	0.3
105.07014	0.8
107.08621	0.4
108.08134	0.5
108.20104	0.2
110.07285	0.3
110.09685	1.9
112.11277	0.8
119.04942	0.4
119.08609	0.5
120.08067	0.4
121.06511	0.4
121.97450	0.3
123.08020	0.3
124.11235	29.4
133.10095	0.3
136.11186	0.4
138.12791	3.7
143.08604	0.3
147.04422	1.1
147.11641	0.4
148.07585	0.3
149.09628	0.4
150.12787	1.8
159.11749	0.2
161.09660	0.3
161.13249	0.3
162.12767	0.4
164.14354	1.8
165.96529	0.4
168.86583	0.2
169.59737	0.3
176.07097	0.3
178.15900	0.3
189.12724	0.4
190.15858	0.4
207.10103	0.6
207.13812	1.0
207.18573	45.7
208.18900	0.5
209.91936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03941	1.4
55.05315	0.5
55.05519	6.1
56.96556	0.7
57.03455	0.7
57.07075	1.7
59.04995	2.1
67.05180	0.7
67.05511	7.8
69.03421	2.1
69.07075	7.2
69.93468	1.1
69.93861	1.1
70.06593	1.1
71.04999	4.7
72.08167	0.8
79.05492	6.5
81.06595	0.9
81.07063	14.2
83.04966	1.6
83.08630	3.7
84.08150	1.5
85.06559	0.9
91.05481	6.4
93.07054	24.6
95.04988	2.0
95.08617	20.9
95.09070	0.4
96.08102	0.8
97.06535	1.5
97.10194	3.0
98.20860	0.6
99.08108	1.7
103.05450	0.6
105.07042	14.5
107.08605	11.7
107.70660	0.5
109.06512	2.8
109.10167	15.8
111.08089	4.9
113.09624	0.6
113.87946	0.5
115.96455	5.1
116.97216	0.8
117.06992	1.0
119.04934	0.7
119.08592	37.7
121.06507	1.3
121.10155	45.1
123.08082	4.8
123.11713	12.0
124.11240	100.0
125.09653	0.9
125.11624	0.6
128.06253	0.6
129.06989	0.9
131.08592	1.8
133.06572	0.8
133.07689	0.5
133.10144	16.4
133.97507	1.1
135.08057	2.2
135.11703	5.7
136.11223	0.9
137.06023	1.0
137.09642	5.0
137.13284	0.8
138.12756	0.9
139.11261	0.7
145.10104	1.4
147.08057	2.5
147.11691	10.1
149.09610	2.4
149.13272	7.4
150.12773	3.0
151.07535	1.4
151.11195	3.9
156.09351	1.1
161.06082	0.7
161.09619	1.8
161.13280	5.1
163.11221	0.8
163.14780	2.8
164.14359	2.0
165.12740	1.2
165.96620	0.9
171.11679	1.3
179.18007	1.6
184.00204	0.8
189.12823	2.9
189.16402	27.2
207.06540	0.7
207.10182	0.6
207.13867	16.0
207.17210	16.1
207.18600	38.4
208.19046	0.7
227.38095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01870	1.3
55.05508	5.4
57.07067	4.4
59.04996	1.9
65.03956	1.8
67.05186	1.7
67.05511	23.0
69.03423	2.8
69.07067	1.7
70.95747	1.2
70.96068	1.2
71.04974	2.1
72.75170	1.1
79.05491	3.2
81.07052	4.5
83.04974	3.5
84.08144	1.1
85.06550	8.8
91.05484	6.0
91.05962	1.1
93.07053	12.8
95.04988	3.6
95.08612	100.0
96.08916	1.1
105.07034	12.9
107.08601	16.6
109.06548	5.3
109.10175	3.1
111.08080	2.1
113.06020	6.9
117.07004	2.0
119.04948	1.3
119.07796	2.1
119.08588	22.5
121.06510	3.3
121.08429	1.8
121.10152	12.0
123.08082	42.8
123.11702	3.8
124.11234	33.2
127.22495	1.1
131.08560	4.6
133.04297	1.1
133.06519	1.5
133.10161	6.1
135.11700	5.3
137.09615	4.5
137.13219	2.2
145.10123	1.9
147.08017	6.9
147.11703	11.4
149.09625	45.3
151.07510	1.5
151.14824	3.1
156.09293	2.2
159.08073	1.6
159.11690	1.6
161.09535	1.9
161.13275	16.9
163.11121	1.9
165.12738	12.7
171.11662	3.3
174.10411	3.2
179.14342	2.1
189.07225	1.4
189.12750	17.1
207.13815	32.3
207.18584	21.8
214.40323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.85575	0.8
52.97840	0.6
55.05508	5.2
57.07074	6.0
59.04982	1.0
65.03946	1.5
65.36052	0.8
67.05513	28.0
69.03428	4.6
69.07069	3.1
70.82807	1.3
71.04993	2.2
79.05492	4.0
81.07063	6.4
83.05004	3.7
84.08112	1.0
85.02934	1.1
85.06551	9.6
91.05482	6.2
93.07054	13.5
95.04961	3.8
95.08615	100.0
97.06532	1.5
98.97594	1.7
105.07037	14.9
107.04960	1.0
107.08606	18.0
109.06584	3.6
109.10212	3.7
111.08108	1.2
113.06013	8.0
117.07035	1.4
119.08591	24.1
120.08150	0.9
121.06538	3.5
121.10155	13.6
123.08076	49.8
123.11709	4.7
124.11245	35.3
124.12172	1.2
129.07030	1.0
131.08569	4.5
133.06503	2.6
133.10121	6.4
135.08047	1.6
135.11696	5.9
136.11328	0.8
137.09613	4.1
137.13269	1.6
139.07581	1.5
145.10176	1.6
147.08054	4.3
147.11705	12.4
148.80664	0.8
149.08426	1.9
149.09634	39.2
150.12791	1.5
151.07587	2.8
151.14828	3.1
156.09354	2.0
159.08018	1.3
159.11726	0.9
160.08853	0.9
161.05960	0.7
161.09706	4.0
161.13263	17.1
163.11195	2.5
164.14365	1.6
165.09140	1.5
165.12767	11.1
171.11589	4.3
174.10413	1.8
179.14320	2.3
189.09178	1.7
189.12753	19.7
207.13818	27.6
207.18578	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02382	0.9
53.03953	6.7
55.01866	0.9
55.05516	7.9
59.04986	0.8
64.92706	0.7
65.03928	1.4
67.05508	29.5
69.03436	1.0
69.07074	6.2
69.71405	0.6
70.68970	1.5
71.05003	2.0
73.06544	1.4
77.03934	1.7
79.05497	49.5
80.95000	0.9
81.03418	2.0
81.07062	22.8
83.04999	4.3
83.08622	4.3
84.08129	1.1
85.02918	0.7
85.06546	2.3
87.04438	0.8
91.05484	47.9
93.07048	100.0
95.04967	12.2
95.08615	11.7
97.06532	2.2
97.10181	1.3
103.05434	0.7
105.04517	2.7
105.07038	27.3
107.04953	1.3
107.08604	11.6
109.06525	5.7
109.10175	1.5
111.08086	0.9
112.11156	0.6
113.06006	0.6
115.96432	6.6
116.97214	2.4
117.07007	4.7
119.08587	16.2
121.06471	2.9
121.10130	3.1
122.09721	0.7
123.08089	5.8
123.11716	0.6
124.11235	48.9
127.07586	1.7
128.06258	1.7
129.07001	9.6
131.08598	2.0
133.06490	0.7
133.10124	6.9
133.97516	1.7
136.11200	0.7
137.06041	0.5
139.07520	0.9
143.08571	6.5
145.10139	9.1
147.08052	2.2
147.11693	50.1
149.09653	1.1
150.12769	1.5
151.07591	0.9
156.09335	0.9
159.11636	1.0
161.09612	6.1
161.13260	12.1
162.05630	0.7
163.11185	0.8
165.08995	0.6
165.96576	1.2
171.11690	25.5
177.12785	0.9
179.14308	0.8
184.00276	0.9
185.27415	0.7
189.12747	14.0
199.82832	0.7
207.13817	41.9
207.18565	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03936	0.9
54.57234	0.3
55.01857	0.9
55.05513	2.4
57.03444	1.8
57.07067	0.5
59.05000	2.9
65.03928	0.6
67.05508	5.7
68.41331	0.3
69.03428	5.2
69.07067	5.1
71.04981	1.2
72.08157	0.4
79.05073	0.6
79.05498	8.1
81.07060	8.8
83.04985	4.4
83.08629	1.7
84.08136	0.4
85.06538	0.8
91.05480	9.0
93.07046	19.9
95.04382	0.5
95.04972	7.1
95.07992	0.4
95.08607	7.5
97.06538	3.3
97.10162	0.4
98.21632	0.6
98.97559	0.5
99.08059	0.4
103.05460	0.5
105.03433	0.3
105.04522	0.4
105.07035	24.6
106.89034	0.4
107.04960	1.1
107.08598	15.1
109.06520	4.9
109.10146	3.6
111.08079	3.0
113.05992	1.0
115.05431	0.4
117.07020	4.0
119.04935	1.7
119.05869	0.4
119.08589	18.6
121.06483	2.1
121.10143	4.6
123.08070	7.6
123.11676	0.8
124.11237	17.4
127.07413	0.4
128.06216	1.9
129.07002	3.1
130.07794	0.5
131.08575	3.2
133.06502	4.8
133.10143	7.0
135.08040	1.4
135.11685	1.4
137.05965	4.0
137.09625	2.7
139.07503	1.0
141.06961	0.8
142.07774	0.7
143.08559	4.3
145.10127	3.1
146.07239	0.6
147.08054	5.4
147.11691	13.6
149.09628	4.3
149.13219	0.4
150.12814	0.3
151.07542	2.6
151.11176	0.9
156.09338	5.1
159.08102	0.5
159.11697	4.3
160.08867	0.6
161.05962	1.4
161.09633	6.5
161.13257	19.6
163.11189	1.6
163.14790	0.4
165.09131	1.3
165.12721	1.4
171.11705	6.2
174.10406	0.8
177.12737	5.1
179.14323	3.2
189.09175	0.5
189.12746	16.1
207.13806	100.0
207.18460	7.9
208.14183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0814
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
53.03924	0.3
55.01879	0.4
55.05527	0.3
56.05030	0.3
58.06592	0.3
67.05526	0.3
68.99783	0.6
69.03439	0.5
70.02948	0.9
70.06590	0.7
71.51531	0.5
71.69257	0.2
72.08192	0.3
79.05505	0.3
81.03403	0.4
84.08144	2.1
85.02875	0.2
86.09711	0.8
87.00828	2.5
91.05486	3.3
92.05791	0.4
93.07052	3.4
94.07397	0.9
103.05473	12.1
104.04971	0.4
105.07039	0.6
105.70197	0.2
117.07062	0.4
118.06555	16.7
119.04964	0.7
120.08111	100.0
121.05651	0.4
121.06509	3.7
121.08455	0.6
122.06828	2.2
122.52971	0.2
124.11245	1.6
128.04967	1.4
129.10225	0.3
134.06038	0.3
144.08041	0.3
145.06563	0.6
146.06018	16.6
147.04373	1.9
149.02470	0.3
150.02678	0.6
160.07529	0.5
160.12048	0.3
161.05997	0.6
162.05516	0.3
164.07079	0.3
174.04019	0.3
174.05528	0.3
175.03947	0.3
178.05028	0.7
188.07079	17.2
191.14372	0.5
191.35228	0.3
192.04128	0.3
193.10686	0.3
206.04799	0.5
206.08142	15.4
206.15236	0.6
207.18608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	6.4
65.28056	0.9
69.41832	6.4
72.90262	0.8
75.74307	0.8
80.94972	1.6
82.01442	0.9
82.99850	4.3
84.08142	2.6
90.17541	1.0
98.97569	7.2
100.02477	1.0
101.00885	36.8
102.00973	2.3
102.02223	0.9
103.00620	6.0
112.64647	0.8
115.02367	1.0
116.98626	4.4
119.01925	63.2
120.02008	6.8
121.01656	13.4
121.02431	1.3
121.97540	1.4
124.02456	11.7
126.02193	1.0
127.00671	1.0
131.01891	0.8
134.99724	1.2
137.02962	8.9
139.02708	2.5
142.03506	100.0
143.01906	1.1
143.03644	6.0
144.03238	10.7
145.03523	0.9
146.91849	4.5
155.00191	2.0
159.00043	1.0
160.04553	23.4
160.99570	1.0
161.02994	3.0
161.04655	1.6
162.04300	1.8
164.97296	0.9
164.98604	3.2
165.05161	2.8
165.96446	1.0
173.48427	1.3
177.00941	3.3
178.01050	1.3
179.00645	4.5
179.98708	2.3
180.49171	0.8
182.48929	1.5
182.98242	1.3
182.99701	10.6
183.01328	1.4
184.04550	2.7
188.99190	8.5
189.49144	1.0
191.49452	14.6
191.99484	5.3
192.49403	1.3
194.96483	1.0
197.99643	0.8
200.49985	21.1
201.00476	12.4
201.02516	2.5
201.49901	2.1
203.00339	0.9
203.97055	1.2
219.01788	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.045
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
53.03941	0.3
55.05514	0.5
56.04673	0.2
56.96567	1.7
57.03446	0.2
60.04517	0.4
61.02928	0.4
69.03438	0.4
70.06604	0.2
70.31161	0.5
70.31528	0.5
73.02919	0.4
78.95257	0.3
84.08155	0.7
85.02930	0.3
86.09718	0.4
87.04451	0.2
97.02898	0.5
98.97607	1.1
104.05049	0.3
105.03409	0.7
110.07178	0.3
110.97540	0.3
116.59957	0.2
116.98604	0.4
117.33266	0.2
121.97654	0.2
124.11230	1.6
128.98627	0.3
132.04460	2.4
134.06044	0.3
150.02763	0.3
150.05550	1.1
151.03918	0.6
158.53847	0.3
158.99695	0.3
159.54723	0.9
160.03923	1.9
167.54420	0.2
167.99757	0.3
168.55243	0.8
174.04581	0.3
177.00824	0.3
178.05006	100.0
179.05382	0.5
182.98189	0.3
182.99701	0.4
201.00719	0.5
206.04500	48.2
206.11830	1.0
207.18594	0.5
219.01785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.88176	0.3
55.01875	0.5
55.05513	2.8
57.07079	8.3
59.05021	0.3
60.04526	1.1
65.03934	3.5
67.05510	3.7
69.03415	0.4
69.07072	5.8
69.22352	3.4
70.00064	0.3
78.04856	0.3
79.05499	4.1
81.07058	20.1
83.08626	2.2
85.02910	0.7
91.05484	2.2
93.03403	1.4
93.07049	18.5
95.04989	0.4
95.08614	12.7
97.02892	2.1
97.10176	2.2
98.03745	0.3
99.04443	0.6
105.07016	1.7
107.08600	12.0
109.02888	0.7
109.10165	9.0
111.04467	0.6
111.11720	1.3
113.96408	0.6
119.08594	0.8
121.02868	10.6
121.03978	2.4
121.10146	42.2
122.96465	0.3
123.11706	5.1
127.03938	0.5
127.05771	0.3
131.97496	0.4
132.25748	0.3
133.10115	0.4
135.11699	7.6
137.13240	0.7
137.48175	0.4
139.27840	0.3
145.10094	0.5
145.39244	0.3
149.02347	100.0
149.13261	16.1
150.02715	0.6
159.11699	0.7
163.14882	1.6
163.96797	0.6
167.03421	1.1
169.41093	0.3
170.28833	0.3
177.16470	0.4
181.97833	0.4
190.04948	0.9
205.12387	0.7
205.14276	1.3
205.19528	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	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03938	2.4
55.01881	1.7
55.05512	16.4
57.07081	14.6
60.04528	7.8
61.04862	1.9
65.03939	2.5
67.05508	18.2
69.03419	2.8
69.07075	33.8
69.84499	5.6
71.04985	1.3
71.08620	2.1
78.95271	1.2
79.05499	14.4
80.05858	1.1
81.03401	4.5
81.07061	49.7
83.08625	15.5
83.09074	1.9
84.04506	1.3
85.02887	4.5
85.04854	1.6
91.05496	7.0
93.07049	55.8
95.04971	2.7
95.08612	57.3
97.02895	13.6
97.10177	12.3
98.21483	1.2
99.04433	2.3
105.07034	9.3
107.08600	56.1
109.02888	7.2
109.06549	1.6
109.10159	54.6
111.11723	7.2
113.96405	2.3
117.06944	2.0
119.08566	5.8
119.97881	1.7
121.02856	5.3
121.04012	1.6
121.06499	2.8
121.10149	100.0
122.10449	1.5
122.96454	2.2
123.08057	1.3
123.11722	23.7
125.13306	1.3
127.03923	3.4
127.05819	2.6
131.08600	3.3
133.10133	2.1
135.08066	1.8
135.11700	54.4
137.13268	3.1
145.10098	4.3
147.11705	1.7
149.02345	45.0
149.09653	1.9
149.13269	72.0
158.96185	1.1
159.11726	4.7
163.14793	8.2
163.96881	2.2
179.39311	1.2
181.97827	3.3
187.11230	1.3
187.14838	3.2
205.08667	1.5
205.12234	5.0
205.14160	3.3
205.15903	5.5
205.19527	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
50.77569	1.0
51.74198	0.9
53.03946	1.9
55.05514	14.5
57.07083	11.1
60.04539	5.2
61.04846	1.6
65.03954	2.0
67.05513	16.5
69.03423	3.1
69.07075	27.1
69.77319	1.0
70.81387	1.3
70.81721	2.4
71.04986	1.5
71.08629	2.6
71.28745	1.0
72.93785	1.2
78.95292	1.0
79.05499	15.0
81.03421	2.3
81.07064	61.3
83.08628	11.9
84.04546	1.3
85.02891	3.2
85.06537	2.7
87.15502	1.0
91.05482	9.3
93.07054	55.3
95.04964	1.8
95.08616	52.8
97.02908	11.8
97.10165	9.2
99.04441	1.6
104.74774	1.0
105.07025	10.8
107.08605	49.7
109.02871	8.6
109.10168	40.8
109.10938	1.5
111.08022	1.0
111.11712	4.5
112.39420	0.9
113.96424	2.7
117.07017	3.5
119.08584	6.3
119.97874	1.3
121.02880	4.3
121.06505	2.9
121.10155	100.0
122.96471	1.9
123.11708	21.1
127.03915	2.8
127.05870	1.7
130.07767	1.2
131.08553	3.9
131.97435	2.4
133.10127	2.5
135.11707	39.8
137.13295	2.5
143.12680	1.2
144.09355	1.2
145.03053	1.2
145.10126	7.0
147.11668	1.3
149.02354	38.0
149.13272	55.7
159.05051	2.0
159.08073	1.6
159.11674	5.3
161.13292	3.2
163.11189	1.7
163.14848	9.0
163.96823	1.8
175.91078	1.0
177.06128	2.6
177.12708	1.2
177.16425	1.5
181.97835	1.5
182.06575	2.2
187.07866	1.2
187.11215	9.6
187.14835	4.0
205.05003	1.8
205.08873	3.7
205.12231	7.2
205.14151	8.3
205.15944	8.7
205.19540	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0973
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
61.56056	0.4
63.26201	0.4
70.87598	0.8
70.87921	0.6
72.08161	0.5
74.02457	1.4
88.95911	0.4
91.05489	0.9
113.95013	0.4
115.05464	2.7
117.05756	1.2
117.07021	2.6
118.06550	40.1
119.97950	0.7
120.08089	0.5
130.06526	3.1
132.08102	9.3
139.50987	0.5
142.06538	4.4
143.07343	4.3
144.08096	18.8
146.06021	95.3
147.06374	0.6
149.02370	1.8
155.06151	0.8
159.09190	9.2
160.07628	1.4
163.96898	1.3
165.44577	0.5
170.06026	6.6
181.97897	0.6
188.07079	100.0
189.07455	0.8
205.09721	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	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.48067	0.5
53.03957	1.3
53.29000	0.5
54.60640	0.5
55.05516	5.4
56.96567	1.5
57.07067	1.1
57.93555	0.7
60.04526	3.6
65.03937	0.8
67.05509	20.8
69.03411	0.5
69.07069	10.4
70.63804	1.7
79.05487	7.6
81.07060	45.4
83.05029	0.8
83.08610	2.1
84.04513	0.8
87.31258	0.5
91.05488	10.0
93.07050	19.5
95.04964	0.8
95.08611	76.5
97.10176	1.1
101.60066	0.7
103.05434	0.9
105.06313	1.0
105.07038	38.1
107.08601	42.5
109.10162	57.3
111.11728	0.7
117.07067	1.5
119.06121	0.7
119.08587	31.1
120.96523	3.2
121.10153	15.2
121.10959	0.4
123.11714	8.4
129.07019	0.6
131.08578	1.2
133.10143	22.0
135.11688	3.7
135.12590	0.6
135.98866	1.1
145.10127	2.3
147.11696	49.4
157.10211	0.7
159.11682	1.4
159.80682	0.6
160.12494	0.9
161.09648	0.9
161.13257	14.3
164.39021	0.6
173.13326	0.7
175.14838	9.5
179.97786	3.2
185.13200	0.9
203.14200	3.0
203.17967	100.0
204.18314	0.9
204.74013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03942	1.0
53.28114	0.4
55.05514	5.1
57.07079	4.5
60.04522	3.8
67.05507	10.0
69.07069	12.6
69.83031	1.4
69.83446	1.4
71.08610	0.6
79.05492	5.6
81.07056	22.3
83.08602	3.3
84.04517	1.4
86.09724	0.7
91.05477	11.0
93.07035	10.2
95.08606	27.7
97.10165	0.8
103.05488	0.9
105.07029	100.0
107.04902	0.5
107.08593	14.6
109.10157	19.7
111.11746	0.5
115.05495	0.5
117.07061	2.2
119.08583	42.5
120.96527	1.2
121.10146	11.8
121.11018	0.7
123.11706	4.7
126.05531	2.2
129.06981	0.4
131.08559	3.5
133.10129	33.3
135.11670	2.9
142.07800	0.8
143.08571	0.8
145.10130	4.3
146.10814	0.5
147.11685	66.0
159.11693	2.5
160.12469	3.2
161.09625	4.4
161.13248	20.4
175.11194	0.7
175.14818	7.6
179.97823	1.3
185.13286	0.6
203.03329	0.6
203.06979	0.8
203.08939	0.7
203.10638	3.0
203.14342	3.4
203.17955	69.1
204.08653	1.5
204.13849	1.4
204.18317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03939	0.7
55.05511	9.0
57.07062	2.1
57.45236	0.6
60.04525	1.2
67.05505	13.4
69.06742	0.8
69.07077	11.4
69.36279	1.1
69.36708	2.7
73.26993	0.5
76.49326	0.5
79.05494	4.5
80.68084	0.5
81.07065	14.1
83.08623	7.8
84.04485	1.0
85.84412	0.5
86.09715	0.9
91.05485	11.2
93.06491	0.7
93.07051	9.0
95.08611	63.1
97.02850	0.5
97.10181	1.7
103.05463	0.5
105.07035	30.2
107.08598	18.0
109.10164	22.1
112.32318	0.6
115.05439	0.7
117.07017	1.6
119.08589	43.2
121.10152	25.3
121.11052	0.8
123.10301	0.5
123.11708	6.0
126.05540	1.2
131.08571	2.8
133.10138	50.0
135.11699	4.6
142.65283	0.6
145.10124	5.2
147.11694	54.0
159.11664	3.8
160.12489	1.9
161.13263	20.3
168.82446	0.5
173.13249	1.9
174.14040	1.8
175.14815	4.1
188.15579	0.8
203.17964	100.0
204.08690	0.8
204.18237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.94371	0.4
53.03936	0.4
54.19486	0.4
55.05511	5.8
57.07075	1.7
60.04531	2.0
65.03944	0.5
67.05510	9.9
69.07070	17.5
69.48060	3.0
70.09591	0.4
71.02699	0.5
77.03923	0.5
79.05495	7.7
81.07059	28.0
83.08618	3.9
84.04528	0.6
85.02886	0.5
86.09727	0.4
88.61971	0.4
91.05485	17.2
93.07044	14.7
93.07634	0.8
95.04954	0.8
95.08611	23.1
97.02901	0.5
97.10176	0.6
102.90116	0.4
103.05441	0.6
105.07036	50.9
107.08595	16.0
107.09311	0.8
109.10161	23.3
117.07050	2.2
118.07851	0.5
119.08588	39.4
121.10146	15.2
123.11717	5.5
126.05523	0.6
131.08575	4.8
132.09312	0.6
133.10139	38.5
135.11696	3.7
144.06737	0.5
144.09286	0.5
145.10121	7.9
146.60498	0.5
147.11693	73.6
157.10132	0.9
158.22542	0.4
159.11649	3.2
160.12489	7.6
161.09695	0.5
161.13263	22.0
174.14040	0.8
175.11272	0.5
175.14832	4.3
184.72461	0.5
203.14206	2.3
203.17963	100.0
204.08649	0.7
204.18289	0.7
221.43575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1392
Annotation	Ala Ile
Peak:m/z	Relative Intensity
50.33251	0.5
64.43457	0.6
68.69468	0.7
71.05489	0.7
71.05808	1.1
86.09709	100.0
93.15600	0.7
98.97546	0.7
132.10210	93.0
157.12146	1.1
157.13388	14.1
157.14658	0.9
203.13925	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	203.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37434	0.6
61.30593	0.7
66.00370	0.7
67.47421	0.7
69.07063	0.9
70.06593	1.4
71.44961	1.5
86.09707	100.0
87.47810	0.6
87.55643	0.8
98.97591	1.4
117.75137	0.8
120.08110	1.6
132.10208	88.4
136.98573	0.8
157.13361	13.3
190.94150	0.7
203.08237	0.6
203.13933	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	203.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53814	0.4
56.96565	1.1
61.90526	0.4
71.50608	0.7
72.93648	0.4
82.01429	0.9
82.99841	3.4
83.99883	0.9
84.08157	2.8
98.97591	2.8
100.02494	2.4
100.97157	0.5
100.98087	0.6
101.00888	41.4
101.97189	3.3
102.00946	13.5
102.96875	5.6
103.00644	0.9
111.01570	0.4
113.00893	0.4
114.70801	0.4
116.98646	1.5
119.01929	100.0
119.98233	1.8
120.02011	34.6
120.96490	0.5
120.97925	3.4
121.01656	3.0
124.02479	0.6
125.02577	2.5
131.01944	0.6
137.02969	21.3
137.99300	0.5
138.03044	6.8
138.98906	0.6
139.02570	0.6
142.03510	4.2
143.01976	2.7
143.03644	16.3
143.99461	0.4
144.02087	0.6
144.03291	1.2
157.03441	2.9
160.04582	1.1
161.02980	23.5
161.04646	4.3
162.03098	12.6
163.02757	0.8
163.76750	0.4
175.04602	0.7
179.00743	1.2
179.04019	27.1
179.97969	0.7
180.04115	18.7
181.03769	0.8
184.04630	0.8
185.02988	0.5
185.04756	1.1
190.99609	0.5
197.99168	1.3
200.49913	0.7
203.04005	1.1
203.05756	1.3
203.07446	0.6
221.01804	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	200.1646
Annotation	Kinabalurine G
Peak:m/z	Relative Intensity
55.05505	1.4
58.06602	0.7
59.74029	0.3
63.93172	0.3
66.48007	0.3
67.05504	13.5
69.07060	1.2
70.06592	5.7
71.37395	0.6
81.07040	2.1
83.08612	0.4
84.08141	6.5
98.09690	83.0
98.97608	1.5
98.98142	0.3
99.10018	0.8
109.10160	3.9
111.10467	0.9
112.11227	0.9
116.98606	0.5
140.14337	57.4
141.14633	0.4
145.90262	0.3
149.73773	0.4
158.15388	1.1
196.36566	0.3
198.57451	0.4
200.16451	100.0
201.16818	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
56.05040	0.4
56.96574	0.2
57.03440	0.2
57.32046	0.2
59.37826	0.2
65.07232	0.2
67.05513	0.5
68.05013	0.4
69.07074	0.3
69.24677	0.2
70.06596	100.0
71.06930	0.3
72.08143	0.2
74.06064	0.2
77.06476	0.2
81.07056	0.4
84.08148	13.4
86.09708	1.3
86.84011	0.2
87.55362	0.2
95.04968	0.2
97.10249	0.2
98.09705	1.2
98.97592	2.1
101.95558	0.2
102.05533	0.2
102.17726	0.2
116.03486	0.2
116.97295	0.3
116.98626	1.4
126.12781	1.2
129.10309	0.2
134.99677	0.4
136.06230	0.3
136.07571	0.2
140.10742	0.4
140.14340	1.7
142.12294	0.4
151.03957	0.3
176.98645	0.3
182.08257	0.3
182.15433	1.3
200.10938	0.2
200.12880	0.5
200.16458	3.4
200.19197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.7
56.05036	0.9
56.96574	0.4
57.06081	0.2
57.07074	0.4
61.75348	0.2
67.05511	1.4
68.05034	0.6
69.07067	0.7
69.54110	0.5
69.54530	0.9
70.06599	100.0
71.06916	0.2
72.08167	0.7
74.06084	0.3
74.09737	0.3
76.54144	0.2
79.01083	0.2
79.05491	0.4
81.07065	0.7
83.01339	0.5
83.04964	0.3
83.06142	0.3
84.04513	0.6
84.08152	29.5
86.09715	3.7
86.28729	0.2
87.10042	0.9
91.05469	0.6
93.07082	0.3
95.04971	0.3
98.06078	0.4
98.09710	3.1
98.21497	0.4
98.97601	4.9
100.07644	0.2
101.07878	0.2
104.03450	0.3
105.07065	0.3
107.06086	0.2
109.10209	0.3
110.07205	0.3
112.03992	0.3
112.07581	0.3
113.02435	0.3
114.05528	0.3
114.98337	0.3
116.97240	0.4
116.98630	3.4
119.04971	0.4
122.93257	0.3
123.04450	0.4
126.01072	0.6
126.12807	2.1
128.02647	0.7
129.10251	0.3
134.99655	1.3
136.06219	1.0
140.07048	0.4
140.10728	0.6
140.14354	4.0
142.12291	1.4
147.04414	0.8
150.99141	0.3
151.03864	1.2
153.96657	0.4
154.08650	0.5
160.69514	0.2
169.04990	0.5
172.09778	0.6
176.98436	0.5
177.00623	0.3
182.08180	0.4
182.11813	0.6
182.15413	3.9
193.00163	0.3
200.05664	1.6
200.07484	0.4
200.10909	0.5
200.12825	1.2
200.16466	8.2
200.19171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.133
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03946	0.9
55.05512	17.2
55.99899	0.5
57.03442	1.0
57.06800	0.6
57.07077	10.7
57.93540	1.0
59.19374	0.5
61.82621	0.4
67.05510	3.0
68.28362	0.4
69.03429	1.2
69.07072	2.7
70.52562	1.4
70.52940	0.8
72.04514	0.6
74.09721	5.0
75.08716	0.4
75.54350	0.5
75.94620	0.8
79.05489	2.7
81.07057	4.9
83.04498	0.6
83.04982	8.9
83.08615	0.8
85.06553	5.3
85.99316	0.5
91.05474	2.7
93.07047	10.0
95.04990	0.9
95.08610	10.4
97.06541	4.4
98.97585	1.2
100.07603	1.3
105.07027	3.9
106.33825	0.5
107.04999	0.7
107.08602	17.6
107.88561	0.5
109.06537	3.5
109.10166	3.1
111.04446	100.0
111.08080	2.7
113.06026	2.2
115.01257	0.5
116.97227	8.7
116.98515	0.5
117.07013	1.8
119.06071	0.6
119.08578	2.2
121.06527	2.8
121.10139	2.4
122.07285	0.7
123.08069	1.2
125.05998	27.6
127.07553	4.0
128.06200	0.5
129.07042	0.6
130.07826	1.5
131.99562	2.1
134.95894	2.7
135.08058	13.6
135.11697	19.3
137.09683	0.6
137.13246	1.2
139.07545	2.6
142.07774	1.2
143.08578	1.4
145.10130	17.1
148.08734	0.5
152.96964	2.0
153.12747	5.6
156.09419	0.7
157.10162	2.0
157.97517	1.4
158.15436	2.1
163.11188	21.3
163.12560	1.0
165.66869	0.5
169.10117	0.7
170.10922	0.4
171.11758	0.9
175.98547	7.5
181.12238	38.9
199.00275	0.5
199.11227	1.9
199.13251	0.9
199.14943	3.7
199.18924	15.8
211.43362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1539
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03943	2.6
55.01863	3.5
55.05515	30.9
57.03426	4.7
57.07066	2.1
67.05511	30.4
69.03430	1.6
69.07070	21.9
70.95869	7.5
71.01358	9.3
71.04995	15.4
71.20751	1.7
72.93779	3.5
76.85070	0.9
78.04341	1.1
79.05501	19.5
81.07062	78.7
83.04990	5.7
83.08623	18.2
85.06544	17.0
87.04475	1.4
91.05485	20.0
93.07042	22.0
95.04971	3.3
95.08613	100.0
97.06541	29.9
97.10178	8.8
99.08117	6.4
101.06011	1.1
105.07040	23.3
107.08613	15.3
109.06545	5.1
109.10161	9.8
111.08110	7.3
111.98483	9.1
113.09639	1.5
115.07564	1.8
119.08589	36.6
121.10136	9.6
123.08103	7.8
123.11716	2.1
125.09622	1.2
127.07600	1.4
129.99518	2.5
132.95836	17.7
133.10143	26.4
135.11707	21.9
137.05972	4.9
137.09590	4.6
137.13254	17.9
139.07594	1.4
141.09108	1.8
150.96912	13.4
151.07538	2.5
151.11147	1.6
155.10675	6.9
155.97415	13.5
161.09669	2.3
161.13268	61.3
173.98497	13.6
179.10693	4.0
179.14319	29.4
197.00099	2.1
197.09808	1.1
197.11732	6.8
197.13321	1.7
197.15363	16.2
198.18442	6.0
216.29752	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1527
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
51.21855	2.7
53.03337	2.5
53.03928	2.8
54.38755	2.4
55.05509	11.3
56.20856	2.1
57.03418	3.1
57.07065	2.6
67.05505	33.5
69.03413	6.5
69.07069	54.2
70.95867	11.3
71.04990	37.2
72.93785	4.3
79.05499	32.2
81.07057	74.5
83.04974	4.3
83.08622	7.0
85.02885	3.0
85.06548	70.8
86.72906	2.1
86.83935	2.1
89.44640	2.2
91.05483	34.7
93.07047	92.1
95.04971	5.0
95.08609	56.7
97.06544	23.6
99.08087	5.1
105.07032	98.9
106.23886	2.4
107.07880	3.9
107.08594	66.1
109.06485	5.3
109.10170	27.1
111.08082	24.5
111.98460	10.2
119.08590	56.4
121.09331	4.0
121.10152	53.6
123.08058	26.2
123.11694	10.0
127.11159	3.2
129.09111	3.6
129.99524	3.1
132.95833	23.6
133.10132	91.4
135.11693	100.0
137.09636	6.9
137.13272	4.5
139.11150	8.9
141.09099	41.8
149.13261	8.4
150.96928	17.5
151.11101	3.4
153.12706	17.3
155.97438	17.8
156.89206	2.2
161.13260	69.4
173.98520	19.9
179.10670	10.7
179.14301	50.7
197.11639	5.3
197.15343	42.4
198.18599	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	197.1175
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
55.01864	0.9
55.05508	5.3
57.07073	2.4
59.05018	0.9
67.05505	9.7
69.03434	1.8
69.07069	4.7
70.06600	1.5
70.95869	7.6
71.01358	100.0
71.04993	6.0
71.51915	1.1
72.08134	0.9
72.93784	3.6
79.05511	4.4
81.03455	1.6
81.07059	12.3
83.04980	2.1
83.08623	9.8
84.08161	1.3
85.06541	3.6
85.10187	9.7
91.05482	5.2
93.07047	8.2
94.71999	0.7
95.04971	3.1
95.08611	11.3
97.06533	5.6
97.10146	1.1
99.04471	1.1
100.45840	0.8
105.07040	6.6
107.08595	23.2
107.09310	1.5
109.06539	4.0
109.10162	28.7
111.04488	1.0
111.08102	7.7
111.98489	6.9
113.06055	1.6
113.09694	0.8
114.94836	0.8
119.08592	2.8
120.08086	0.8
121.06515	2.1
121.10165	1.4
123.08077	2.2
123.11708	1.1
125.06010	1.2
125.09635	15.7
127.11195	2.7
129.99529	1.9
132.95854	16.1
133.10139	8.9
135.11687	7.1
137.05966	7.3
137.09625	3.8
137.13261	3.2
139.07529	6.3
141.05539	1.1
141.06888	0.8
150.96899	12.1
151.03920	1.3
151.07529	2.3
151.11169	1.8
153.09172	1.9
155.10672	89.0
155.97458	10.9
161.09644	3.7
161.13310	1.5
169.08699	1.0
171.90942	0.8
173.98502	16.8
173.99933	1.3
175.51135	0.9
179.10674	10.9
179.14282	1.2
182.10994	0.7
197.00012	1.7
197.11725	47.2
197.13171	2.3
197.15395	1.6
198.18498	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	197.1175
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03929	1.1
55.01871	0.9
55.05305	0.5
55.05517	5.3
57.03415	0.8
57.07066	1.9
59.05000	3.1
65.03923	0.6
67.05515	8.1
69.03430	2.4
69.07076	3.5
69.22264	4.2
70.95877	5.6
71.01344	0.5
71.08684	0.5
72.08194	0.5
72.93789	2.5
73.02923	0.6
79.05502	4.8
81.06596	0.8
81.07064	15.2
83.04965	0.7
83.08633	3.4
85.06546	1.9
88.96920	0.7
90.94827	0.5
91.05489	13.9
93.07046	21.2
95.04971	5.9
95.08611	11.2
97.06546	1.5
97.10174	3.1
105.07039	25.2
107.04902	0.7
107.08603	57.5
109.06519	5.3
109.09476	1.0
109.10170	13.3
111.04446	1.0
111.08106	0.7
111.98485	6.4
113.06013	1.0
113.96426	0.8
114.78874	0.5
117.06980	0.9
119.04967	1.3
119.06082	0.9
119.08587	7.6
121.06516	6.6
121.10151	1.5
123.04436	3.7
123.08091	1.9
123.11716	11.6
125.05946	0.7
129.99527	1.9
131.08568	2.5
132.95842	13.7
133.06464	0.9
133.10139	58.8
135.08060	1.7
135.11702	52.8
136.12007	0.7
137.05978	5.6
137.09644	4.7
137.13266	3.4
139.07500	0.7
143.08559	1.2
146.07285	1.6
150.96921	12.2
151.03888	0.7
151.07567	2.2
151.11209	5.6
155.10648	0.6
155.97444	9.5
157.63000	0.6
161.09631	28.8
169.08658	0.7
173.98511	11.7
179.10684	100.0
179.17892	3.1
196.99969	0.7
197.11746	87.9
198.12088	0.7
198.18526	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01869	0.5
55.05514	0.5
56.05038	0.4
56.96564	2.5
57.03439	0.4
66.03460	0.3
67.05497	1.2
68.05023	0.7
69.03412	1.4
69.07073	0.5
70.06586	1.5
70.95856	0.4
71.51135	0.6
73.02897	0.8
79.05496	7.6
80.05016	0.8
81.07041	0.8
82.02930	0.4
82.06576	1.6
83.04963	0.4
84.04501	1.0
84.08141	3.5
85.02893	0.7
86.09698	0.7
91.05480	1.8
92.04990	0.5
93.05783	1.5
94.02911	1.1
94.06570	4.8
95.04954	0.9
96.04490	0.6
96.08105	2.9
97.02884	1.6
98.06061	0.6
98.09695	4.8
98.97581	1.6
99.04482	0.4
100.07597	0.5
101.00882	1.0
104.04982	2.0
105.03381	1.2
106.06554	20.2
107.04953	3.1
107.08606	0.6
108.04465	1.4
108.06873	0.5
108.08141	2.8
109.05264	0.5
110.06030	1.4
110.97591	1.0
111.98444	0.4
112.03952	0.9
115.02410	0.5
117.05712	0.4
118.05299	0.4
118.06532	1.5
119.01913	3.0
119.04960	0.8
119.06023	0.4
120.04456	4.8
120.08144	0.7
121.07615	0.4
121.82043	0.3
122.06033	11.3
122.09691	0.4
123.04340	0.4
123.09148	1.2
124.03837	0.4
124.07580	4.8
128.98602	0.7
131.00180	0.4
131.01834	0.6
132.04443	10.2
132.06801	0.7
132.95869	0.7
133.02773	0.7
133.07626	6.0
134.06015	18.6
134.09631	1.3
136.07568	2.0
137.02934	0.7
137.06953	0.4
137.10744	0.4
138.05431	0.5
138.09052	0.4
139.12297	1.2
143.06000	0.6
149.07112	4.9
150.05505	28.5
150.07887	15.2
150.09109	0.8
151.08665	30.4
151.12292	0.8
152.07069	2.7
152.10716	0.5
155.97404	0.5
156.13878	0.7
158.99713	0.5
161.01163	0.5
161.07115	7.5
162.05504	13.4
162.09146	5.8
167.08168	15.1
168.06566	1.7
173.02985	1.4
173.98465	0.8
174.99120	0.7
176.03358	0.4
179.08167	21.2
179.11765	6.0
179.15401	0.7
180.06569	4.8
180.10051	0.7
180.64560	0.4
193.00174	0.7
197.09213	100.0
197.16478	15.2
198.09579	0.8
201.76796	0.4
201.78714	0.4
215.03972	2.2
219.01689	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	1135-23-5
Peak:m/z	Relative Intensity
51.02377	0.9
53.03941	2.7
55.01873	5.9
55.05312	0.8
55.05512	9.6
57.03431	1.3
65.03936	5.4
67.05506	23.6
69.03437	6.2
69.22193	6.9
69.22601	1.7
70.95856	12.7
71.04981	3.5
71.28499	0.8
72.93776	6.2
74.92056	0.9
77.03888	1.0
79.05496	37.8
81.07062	14.9
83.04985	2.0
84.08144	3.2
88.96903	1.7
90.94815	2.0
91.05483	41.2
93.07052	27.7
95.04977	6.5
95.08609	88.3
97.02895	15.5
97.06538	6.5
98.20734	2.1
99.04454	14.7
103.05458	2.8
105.07033	74.5
106.04219	1.8
107.04977	9.1
107.08596	100.0
108.05753	1.7
108.08910	1.0
109.06522	18.2
109.10154	3.7
111.04434	2.0
111.08089	22.3
111.98491	16.3
113.96429	1.3
119.06055	7.4
119.08548	3.0
121.06509	8.1
121.10103	1.3
123.04445	2.2
123.08069	51.4
125.05997	29.1
125.09650	1.1
127.03917	10.8
129.99519	5.2
132.95845	32.6
133.06493	29.6
133.10149	4.8
135.08044	5.4
135.11696	2.6
137.05986	45.3
137.09593	6.6
139.07547	14.9
143.08511	1.5
149.05948	2.8
150.96883	22.1
151.04063	1.6
151.07544	66.0
155.97427	23.4
161.06001	3.8
161.09612	5.6
169.08624	1.4
172.22015	1.0
173.98497	24.6
179.07054	11.6
179.10674	12.0
194.79118	1.0
197.06238	1.8
197.08084	27.9
197.11684	10.7
197.13214	1.5
198.18469	2.2
215.09167	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	196.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01867	0.3
55.05515	10.4
56.05030	0.3
56.96566	0.3
57.03440	11.6
57.07082	0.3
58.06587	0.4
65.03952	0.3
67.05505	2.1
68.05855	0.2
68.99783	1.4
69.03406	0.6
69.07064	0.6
70.00140	0.5
70.06596	4.1
70.40558	0.5
70.95868	0.3
71.04977	0.2
72.93790	0.5
79.05495	1.7
80.05019	0.6
80.05830	0.3
81.03419	0.9
81.07058	9.9
82.07396	0.4
83.05001	0.3
83.08623	0.3
84.04522	0.3
84.08163	0.4
85.02905	0.3
85.10162	0.2
86.06088	0.4
88.01450	0.2
91.05489	2.4
92.05833	0.3
93.07045	2.7
94.07379	0.4
95.04960	1.3
95.08621	1.1
97.06537	0.5
98.06059	100.0
99.06371	0.4
99.08102	3.4
105.07047	2.9
106.07380	0.3
107.04942	0.5
107.08602	2.2
108.08929	0.5
109.06523	20.7
109.10165	1.7
110.06052	0.7
110.06818	0.4
111.98475	0.5
113.96415	0.5
119.06088	0.4
120.08087	0.3
121.06515	0.9
121.10188	0.4
122.06053	0.3
122.09664	1.1
123.04433	0.6
123.08083	2.4
123.11693	2.7
124.11292	0.3
125.09705	0.3
126.09955	0.6
128.06242	0.4
131.96170	1.2
131.97470	0.3
132.95868	1.0
133.06525	1.0
133.10161	1.8
135.08057	1.1
135.11670	0.6
136.07576	0.4
137.06009	0.3
138.09163	0.8
140.10725	0.6
143.05426	0.6
143.08565	0.7
146.03181	0.6
149.97227	1.4
150.05472	0.3
150.09161	1.1
150.12747	0.5
150.96925	0.9
151.11188	7.6
152.10687	2.8
153.09138	1.6
154.09447	3.4
154.97775	0.5
155.97449	0.6
161.09636	2.5
168.10226	0.8
172.98869	0.7
173.98540	0.5
178.05920	0.6
178.12238	0.5
179.10713	1.1
196.09891	1.0
196.13287	2.8
196.17010	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01883	0.7
55.05516	9.8
56.05037	0.8
56.89442	0.3
57.03441	14.0
57.07048	0.5
65.03953	0.6
67.05504	3.4
68.05840	0.4
68.99789	0.7
69.03429	1.6
69.07067	1.1
69.96168	1.1
70.06596	4.2
70.95861	1.7
71.04977	0.4
72.08194	0.4
72.93789	1.5
79.05507	2.2
80.05018	0.7
81.03417	0.5
81.06593	0.6
81.07066	12.5
82.07408	0.6
83.04969	0.7
83.08627	0.5
84.08149	1.0
85.06525	0.5
86.06077	0.7
86.09704	0.6
90.94821	0.4
91.05488	3.5
93.07037	3.8
94.04225	0.5
94.06562	0.5
94.07378	0.7
95.04978	2.3
95.08620	2.4
96.04465	0.4
96.08922	0.4
97.06545	0.8
98.06061	100.0
98.21534	1.2
99.08097	3.3
105.07025	4.4
107.04957	1.1
107.07419	0.4
107.08604	3.6
108.08126	1.8
108.08913	1.0
109.06524	25.1
109.10178	2.6
110.06033	1.1
110.06760	0.4
111.04414	0.5
111.98476	2.3
113.96391	1.9
115.05434	0.4
117.07069	0.4
119.06087	0.9
120.08115	0.4
121.06522	0.9
122.09705	0.8
123.06848	0.4
123.07265	0.4
123.08073	3.5
123.11717	3.9
124.07592	0.6
124.11224	0.5
128.06226	0.4
129.99525	0.6
131.08640	0.6
131.96170	4.5
131.97478	0.9
132.95847	3.9
133.06493	1.2
133.10150	2.8
135.08066	1.7
135.11682	0.9
136.07590	1.1
136.12050	0.6
137.06023	0.6
137.09642	0.5
138.09163	1.1
140.10713	1.3
143.08568	1.0
146.03169	0.5
149.09636	0.4
149.97211	3.5
150.09181	1.1
150.12799	1.0
150.96896	3.3
151.07574	0.7
151.11194	9.5
152.10710	4.8
153.09126	2.3
154.08408	0.4
154.09479	1.1
154.97716	2.4
155.97424	2.1
161.09633	4.3
164.07104	0.5
167.98270	0.4
168.10219	0.5
168.13806	0.5
172.98837	2.9
173.98532	2.7
178.08643	0.6
178.12312	1.1
179.10696	1.5
196.06026	0.4
196.09822	1.5
196.13329	6.8
196.16991	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02342	0.7
55.05510	5.2
55.40265	0.8
56.59946	0.9
57.03437	2.6
65.03936	0.8
67.05508	8.9
69.03420	2.0
69.07063	1.5
69.17472	7.3
70.06591	1.6
79.05502	7.1
81.03423	0.9
81.07057	31.8
83.05000	0.9
86.06087	1.2
86.09708	3.9
91.05483	9.7
93.07051	12.1
94.04179	0.8
95.04954	6.0
95.08603	5.0
97.06539	1.4
98.06058	13.2
98.09711	2.5
98.21529	1.8
105.07037	12.8
107.04964	2.8
107.08595	13.0
109.06519	100.0
109.10156	10.1
110.06047	4.4
111.04454	3.4
112.07601	1.1
117.07021	0.9
119.06055	2.9
120.08091	0.8
121.06541	2.9
122.06047	0.8
123.06858	2.3
123.08057	11.8
123.11712	16.5
124.07584	2.0
131.96182	1.0
133.06497	5.3
133.10147	9.0
135.08063	8.4
135.11688	2.4
136.07552	1.1
137.05991	1.5
141.87999	0.8
143.08546	2.5
146.07268	0.8
147.73804	0.7
150.09061	0.9
150.12825	2.3
151.07619	1.7
151.11185	37.9
152.10703	42.9
153.09102	33.6
160.99750	0.7
161.09612	18.4
161.10950	1.1
168.13834	4.4
168.54382	0.9
178.12267	8.7
179.10699	5.1
196.13316	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	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
51.11425	0.7
53.03939	2.2
55.01865	2.7
55.05276	0.9
55.05518	13.0
57.03425	2.2
57.07084	11.7
59.04992	2.4
61.29413	0.8
65.03936	1.5
67.05514	15.3
68.99819	1.5
69.03429	3.8
69.07077	24.4
70.06588	1.4
70.90313	1.5
70.90668	1.3
71.04997	4.3
79.05495	12.4
81.03415	1.5
81.07064	49.2
83.04974	3.7
83.08154	1.2
83.08624	16.5
84.08138	2.3
85.02900	1.1
85.06560	4.9
86.09693	1.3
89.03919	3.1
89.06049	3.8
91.05479	8.0
93.07055	31.5
95.04960	3.5
95.08617	70.5
95.24426	0.8
97.06545	3.4
97.10196	6.3
98.06087	1.2
99.04470	0.9
99.08106	13.9
103.05483	1.4
105.07059	5.9
107.04956	1.8
107.08607	58.8
109.06525	3.1
109.10168	16.4
110.18533	0.8
111.04457	1.6
111.08102	11.9
111.11762	1.3
113.09652	2.8
117.03386	9.7
117.07002	1.6
119.06138	0.9
119.08583	3.4
121.06480	4.2
121.10159	82.9
123.08067	2.0
123.11726	12.8
125.05997	1.2
125.09657	7.1
130.96315	2.5
131.08549	3.5
131.97409	0.8
133.02689	0.7
133.10141	2.6
134.03464	0.8
135.04442	1.9
135.08041	2.5
135.11711	32.7
137.05980	2.2
137.07961	1.2
137.09595	2.0
137.13272	100.0
139.07550	1.3
139.11168	4.1
140.69034	0.8
145.02872	14.4
148.97377	1.9
149.06035	4.8
149.09598	2.6
149.13264	11.9
151.11168	2.7
151.14813	1.8
153.09096	3.2
153.97929	2.1
159.11693	5.5
163.03902	6.1
163.07480	0.9
165.06911	2.2
167.07121	1.0
167.08623	1.1
171.98953	1.8
177.05475	21.4
177.06877	1.7
177.09219	1.4
177.12946	6.2
177.16406	99.1
180.09261	1.0
195.02917	2.2
195.06561	2.0
195.08116	3.7
195.10144	1.7
195.11754	3.2
195.13805	4.1
195.15820	2.9
195.17461	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03954	5.4
55.01868	5.1
55.05513	20.6
56.96563	2.2
57.03437	4.3
57.07070	4.7
59.05006	16.2
65.03938	1.8
67.05510	47.9
68.96351	1.2
69.03434	8.6
69.07074	31.5
70.06599	2.0
71.04999	5.5
71.12488	1.1
71.12817	1.8
73.06551	1.4
79.05499	41.9
80.05811	1.3
81.03430	8.4
81.07060	100.0
82.07397	2.2
83.04992	13.1
83.08622	13.3
84.08146	5.5
85.06557	5.4
86.09716	1.9
89.03925	5.1
89.06039	3.5
91.04926	1.7
91.05487	31.6
93.07048	73.4
94.07370	1.9
95.04980	8.2
95.08614	65.2
97.02892	2.1
97.06532	11.0
97.10178	3.3
99.04479	1.9
99.08108	2.0
101.06000	2.0
103.05464	1.4
105.07043	16.9
107.04979	7.4
107.06985	1.7
107.08601	49.8
108.08939	1.6
109.06531	7.8
109.10160	4.9
109.98955	2.0
111.04468	1.9
111.08095	9.0
112.99084	1.2
117.03396	11.2
117.07041	8.6
119.08585	5.9
121.06506	13.0
121.10149	22.9
123.04483	1.3
123.08052	3.3
123.11698	3.5
124.99159	1.4
125.06002	2.0
125.09594	5.9
129.06964	1.3
130.96312	4.2
131.08575	12.6
133.08528	1.5
133.10135	24.9
135.04446	2.0
135.06371	3.5
135.08076	5.8
135.11703	78.7
137.06007	6.4
137.09625	6.2
137.13254	4.4
139.07518	5.8
139.11159	5.8
145.02863	21.5
148.97357	3.7
149.05991	7.6
149.09645	8.3
149.11563	4.0
149.13275	21.5
150.56317	2.5
151.06459	4.5
151.11206	10.6
152.05879	1.9
153.05518	2.3
153.09122	2.3
153.97911	3.1
158.18565	1.1
159.08113	1.2
159.11697	18.6
163.03893	8.1
166.02550	1.3
167.12634	4.0
171.98984	4.8
177.05473	35.9
177.06879	2.5
177.09151	3.2
177.11087	12.2
177.12762	22.4
177.16353	7.2
186.05518	1.5
195.00603	1.1
195.06483	1.6
195.08452	2.2
195.10170	4.3
195.11995	5.6
195.13828	29.4
195.15720	2.8
195.17407	6.8
196.13359	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.50283	1.5
53.03944	6.9
53.38262	1.6
55.01856	3.2
55.05515	25.1
57.03442	13.7
57.07072	5.8
59.05001	3.0
65.03931	3.3
67.05510	29.6
69.03426	6.9
69.07072	49.1
70.63561	5.3
70.90866	1.9
71.03899	1.7
71.04995	23.5
79.05499	63.2
81.07063	63.6
81.07535	3.9
83.04993	5.4
83.08630	13.1
84.08161	3.0
85.06544	2.5
89.03916	2.9
89.06036	3.4
91.04922	1.8
91.05488	41.5
93.07047	100.0
95.04985	10.3
95.08606	25.8
95.09169	1.8
96.10386	2.1
97.06535	5.0
101.06030	2.1
105.04511	2.7
105.07032	26.8
105.37740	2.0
107.04948	8.5
107.08596	63.0
109.06525	16.5
115.05458	4.1
116.06210	1.9
117.03378	6.6
117.07019	21.7
119.08591	19.1
121.06522	17.9
121.10156	21.3
122.07333	2.0
123.08060	15.1
128.06276	2.3
129.07025	8.9
130.07797	4.3
130.96344	5.1
131.08574	32.9
133.02853	2.2
133.06509	14.9
133.10178	6.0
135.04448	3.4
135.08080	11.6
135.11723	16.6
137.09648	2.1
144.09332	7.8
145.02849	11.6
149.06026	2.8
149.09673	3.7
149.13248	22.1
159.11708	21.1
163.03902	41.4
171.99020	5.0
177.05499	17.9
177.12747	18.2
195.11864	3.3
195.13737	4.3
195.15605	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03930	4.5
55.01859	4.7
55.05273	1.7
55.05518	20.4
55.09854	1.3
57.03441	8.1
57.07066	2.2
59.05007	1.2
60.96715	1.2
65.03934	2.7
67.05511	74.2
68.96342	1.6
69.03415	2.4
69.06735	1.4
69.07074	19.3
69.40818	9.7
71.01357	1.9
71.04998	9.4
73.02901	1.4
75.29976	1.5
79.05501	51.1
81.02989	2.3
81.03426	26.9
81.07063	100.0
83.04996	19.3
83.08619	12.4
84.67808	1.2
85.02911	1.8
85.06538	4.5
86.05889	1.1
89.03926	3.9
89.06039	9.8
91.05489	32.8
93.07050	81.4
95.04965	9.0
95.08611	36.0
97.06538	17.0
97.10160	2.0
98.20836	3.1
99.08071	3.7
103.05534	1.8
105.04539	2.7
105.07043	12.2
107.04959	3.0
107.08604	34.7
109.06516	5.5
109.10152	5.1
111.08062	7.8
113.09614	2.2
117.03397	7.4
117.07033	13.2
119.08607	4.4
121.06545	9.3
121.10141	15.7
123.08110	2.7
123.11723	3.0
125.09622	1.4
130.96304	2.5
131.08571	19.5
133.08582	1.9
133.10138	22.9
135.04419	2.9
135.08063	5.0
135.10698	2.2
135.11700	33.0
139.07539	3.7
145.02855	13.6
148.97394	2.1
149.05974	4.8
149.09561	2.0
149.13272	29.3
149.97269	1.5
151.11179	3.1
152.10616	1.4
153.97839	2.4
159.11711	23.5
163.03914	27.6
163.11171	2.1
165.06998	2.0
167.14279	1.5
171.98932	2.1
177.05487	23.2
177.12758	15.1
180.09280	2.6
195.02863	2.6
195.08121	3.6
195.11745	4.6
195.13832	44.8
195.15685	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	195.1382
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03933	3.6
55.01864	4.0
55.05512	15.8
56.96552	3.4
57.03436	13.8
57.07063	3.1
59.05000	1.1
65.03938	2.7
67.05508	72.8
67.62972	1.0
68.96329	2.1
69.03428	3.3
69.07070	19.4
70.06592	1.7
70.12463	2.5
70.12840	1.7
70.49887	0.8
70.94257	1.5
71.01350	1.7
71.05002	7.0
73.02902	1.0
77.03925	1.3
79.05494	37.4
81.03418	9.4
81.07059	100.0
83.04992	11.9
83.08617	10.7
84.08134	2.2
85.06545	6.4
87.32549	0.9
89.03917	3.0
89.06050	5.3
91.05484	27.9
93.07048	66.0
95.04993	8.6
95.08609	41.7
97.02846	1.0
97.06535	13.7
97.10195	1.5
99.04448	1.7
99.08063	3.5
100.02499	1.1
105.04488	1.8
105.07040	14.0
107.04939	3.6
107.08598	31.7
109.06528	4.9
109.10159	4.8
109.98909	2.5
111.04451	0.9
111.08080	8.4
113.05991	1.4
117.03361	7.8
117.07030	12.1
119.08569	4.1
121.06512	7.5
121.10141	13.9
123.04421	1.5
123.08076	25.9
123.11649	1.8
125.06001	1.8
129.07050	1.2
130.96303	5.2
131.08575	14.2
133.02870	2.5
133.10132	15.6
134.03630	0.9
135.04431	4.0
135.05363	1.1
135.08067	4.9
135.11699	31.9
137.09599	1.2
139.06335	1.3
139.07509	1.8
139.11180	2.7
145.02858	15.7
148.96277	1.0
148.97359	4.7
149.06009	4.5
149.09685	4.8
149.13261	24.4
149.97156	1.3
151.11186	4.8
153.09109	2.0
153.97890	3.2
159.10460	1.7
159.11687	20.9
163.03900	33.4
165.06985	4.6
167.08557	2.6
171.98999	5.3
174.08032	2.0
177.05472	22.2
177.06902	1.6
177.09084	2.3
177.11194	1.7
177.12746	14.8
177.16309	0.8
178.09351	1.1
180.09331	4.8
195.06511	1.8
195.08162	1.9
195.10112	2.0
195.11705	15.4
195.13803	23.1
195.15701	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.18596	0.7
51.02366	0.7
53.03950	3.8
55.01881	4.0
55.05513	15.2
56.96558	0.8
57.03442	6.1
57.07073	1.7
65.03938	2.5
67.05506	64.2
68.96331	1.5
69.03424	2.1
69.07069	18.3
69.10966	0.7
69.16531	1.6
69.16931	5.4
70.06612	0.8
71.01348	1.5
71.05007	5.8
73.02919	1.3
77.03928	1.0
79.05495	40.5
81.03418	6.5
81.07056	100.0
82.07410	1.3
83.04987	10.2
83.08625	10.5
83.32838	0.7
84.08150	1.6
85.02897	1.1
85.06544	5.4
86.09717	0.7
86.55693	0.7
87.04491	0.8
89.03931	1.6
89.06030	2.9
91.05483	26.8
93.07044	61.4
95.04965	7.6
95.08609	38.1
97.06528	13.5
97.10167	1.2
98.21552	1.6
99.04498	1.1
99.08092	2.3
100.02513	0.7
101.06017	1.2
103.05441	0.8
105.04500	1.0
105.07042	10.4
107.04989	3.9
107.08599	30.4
109.06511	4.8
109.10152	4.4
109.98962	1.7
111.08073	7.3
113.06029	1.2
113.09620	1.3
115.05452	0.8
115.26247	0.7
117.03390	6.2
117.07019	10.2
119.08556	4.3
121.06512	6.8
121.10136	12.0
121.10941	1.1
123.08073	3.0
123.11731	1.7
125.06065	1.3
128.20702	0.7
130.96323	3.1
131.08569	13.0
131.96143	0.8
133.02850	2.0
133.08607	1.1
133.10143	18.3
134.03622	0.8
135.04454	3.4
135.08040	3.8
135.11691	33.6
136.58078	1.0
137.05975	1.6
137.09616	0.7
139.07547	1.3
139.11147	0.8
144.09433	0.7
145.02846	10.0
148.97388	4.0
149.05998	2.8
149.09627	6.3
149.13260	24.3
149.97336	0.9
151.11215	2.6
151.58522	1.3
153.09135	1.8
153.97931	2.9
159.11693	20.0
163.03912	21.2
163.05260	1.2
171.98943	3.8
177.05478	15.1
177.06892	1.2
177.09184	1.4
177.12735	13.9
177.16365	1.1
180.09302	1.0
195.10233	1.2
195.11795	4.3
195.13863	18.5
195.15727	1.7
199.50339	0.7
212.94919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03943	1.9
55.01864	2.1
55.05514	6.7
55.84941	0.5
56.96559	1.4
57.03439	43.4
57.07066	1.1
58.07111	0.5
59.05001	1.2
65.03951	0.5
67.05507	12.7
68.96324	0.8
69.03432	2.4
69.07082	5.0
70.06583	0.8
70.94225	0.5
71.04995	1.9
71.95279	0.5
75.04485	2.0
79.05075	0.8
79.05497	12.7
81.03433	2.7
81.07059	13.6
83.04986	3.5
83.08622	1.5
84.08147	1.5
85.06539	7.8
89.03923	2.0
89.06001	2.7
91.05486	6.7
93.07048	21.7
95.04974	8.0
95.08608	20.8
97.06541	4.4
98.06051	0.8
99.08080	2.3
105.04514	0.6
105.07041	6.6
106.04231	0.6
107.04957	1.8
107.08596	10.9
109.06519	2.4
109.10189	2.0
109.98945	1.5
110.06054	0.5
111.04474	0.5
111.08088	5.1
117.03397	5.4
117.07009	3.0
119.08578	2.8
121.06509	3.8
121.10144	6.6
123.08069	100.0
125.05999	1.3
130.96318	2.4
131.08556	4.8
131.96143	0.6
133.02843	1.7
133.06519	1.5
133.08621	0.9
133.10118	2.4
134.03618	1.0
135.04451	2.5
135.08055	3.7
135.11697	5.8
137.05998	0.6
137.09579	2.5
139.11192	3.8
145.02850	10.3
148.97366	2.1
149.05954	3.2
149.09584	1.3
149.13271	6.3
151.11163	1.0
153.09146	0.7
153.97926	1.5
159.11702	5.1
163.03909	25.2
165.07152	0.8
171.98996	1.7
177.05466	14.0
177.06862	1.2
177.09137	1.2
177.12749	7.5
177.16360	0.9
180.09416	0.7
190.69586	0.5
195.02809	0.6
195.06459	0.7
195.08540	0.7
195.10190	1.8
195.11784	2.2
195.13826	10.1
195.15700	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0655
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03947	0.4
55.01867	0.6
55.05521	0.7
56.05043	0.3
57.03447	0.7
61.56382	0.2
63.02385	0.7
63.92676	0.3
65.03943	0.3
67.05512	0.8
68.96345	1.2
68.99809	0.3
69.03438	0.3
69.07076	0.6
70.06599	0.8
70.94271	0.5
71.05010	0.4
71.51814	0.4
74.77293	0.2
76.76133	0.2
78.04717	0.5
79.05506	2.0
80.37780	0.3
81.03435	0.5
81.07063	1.8
83.08629	0.2
84.08141	1.7
85.02956	0.3
86.09715	1.0
89.03924	16.1
89.06042	0.8
91.05489	3.5
93.03405	0.7
93.07055	2.2
94.07384	0.3
95.04989	1.1
95.08622	1.5
96.04514	0.4
96.08958	0.6
97.02889	0.4
103.05470	1.4
105.03410	0.3
105.07052	0.7
106.03590	0.3
106.04182	1.8
107.04980	0.8
107.08604	1.1
109.06521	0.9
109.10128	0.4
109.98962	1.1
111.04472	0.5
114.21259	0.2
117.03392	40.9
119.04944	0.4
121.06516	1.8
121.10167	0.6
124.05278	0.3
125.06004	1.3
125.07147	0.3
128.00018	0.4
129.10237	0.3
130.96332	2.5
131.08557	0.6
131.96184	0.4
133.10139	0.5
134.03642	5.6
135.04428	4.9
135.08067	0.6
135.11682	0.5
136.07602	0.3
137.05988	0.5
137.07928	0.5
138.06628	0.4
138.09074	0.3
139.03883	0.3
139.07576	0.3
139.09499	1.0
143.07599	0.4
145.02859	79.4
147.04417	0.3
147.11365	0.3
148.97371	2.0
149.05997	19.3
149.09636	0.6
149.13321	0.4
149.97195	0.5
151.11212	0.5
152.10715	0.8
153.05508	1.4
153.97908	2.2
154.97720	0.3
157.70724	0.3
159.11703	0.3
162.03131	1.7
163.03922	7.9
171.98946	2.0
172.98842	0.3
177.05482	100.0
177.12714	0.6
178.05847	0.4
178.12160	0.3
186.05537	1.4
195.02919	1.1
195.06476	1.3
195.08287	0.7
195.10211	0.6
195.12106	0.4
195.15698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01889	4.3
55.05503	3.0
56.05029	1.2
56.96565	6.8
57.03422	0.8
61.57759	0.7
61.96569	0.9
67.05499	5.5
68.05011	1.6
69.03425	4.1
69.07062	3.5
70.06587	3.5
71.05005	1.4
71.52213	1.0
73.20757	0.7
79.05067	1.2
79.05495	14.8
79.22794	0.8
80.05021	3.7
80.05828	1.3
81.03423	1.5
81.07056	12.7
82.06585	1.1
83.04983	1.1
84.08138	2.5
86.09698	0.9
86.19834	0.8
87.04474	1.3
91.05492	11.7
93.07052	12.7
94.06573	2.6
94.07388	1.0
95.04966	3.6
95.08601	5.2
95.99500	0.8
96.04496	9.8
96.08119	2.3
97.02900	1.1
97.05263	0.8
97.06538	5.2
98.06058	3.2
98.97569	1.6
103.05506	1.0
105.02744	0.8
105.05819	1.3
105.07037	11.1
106.06570	21.1
106.07352	2.1
107.04951	2.4
107.07400	1.3
107.08595	14.4
108.04462	1.5
108.08118	3.4
108.08909	2.5
109.05332	0.8
109.06523	4.3
109.10164	2.3
110.06034	3.6
110.06775	1.0
110.09682	0.9
116.06259	1.9
117.03360	0.9
117.05739	1.1
117.07043	1.8
118.06524	3.4
119.07324	3.2
119.08593	4.3
120.08102	4.9
120.08873	1.6
121.06508	5.5
121.10154	6.7
121.97222	0.9
122.03124	1.1
122.05990	1.0
122.09674	1.0
123.06800	2.7
123.08064	2.0
123.11690	1.9
123.26794	0.8
124.07595	12.1
124.11243	5.3
125.04703	1.2
126.05543	2.4
129.07040	1.3
131.08560	14.1
132.05153	0.8
132.08109	7.5
133.05228	1.2
133.06499	2.2
133.08876	4.9
133.10092	2.0
134.06023	45.5
134.09608	1.9
134.10460	2.3
135.04430	0.8
135.06360	1.0
135.11679	6.6
136.07578	15.6
136.08551	1.4
136.12035	2.0
137.08382	2.1
137.09615	2.1
138.05519	0.8
138.09140	3.3
138.12773	4.8
139.11194	0.9
141.05711	2.9
143.00206	0.9
145.02881	1.8
146.06009	1.1
146.09651	3.3
147.06781	1.0
148.07600	4.5
148.11203	42.7
149.05978	3.1
149.09615	7.8
149.11565	1.2
149.13231	0.9
150.06230	9.2
150.56372	1.9
152.07118	2.4
152.10733	1.5
158.09628	1.6
158.99788	1.0
159.06729	3.8
159.08090	2.5
159.11795	1.2
161.08368	1.7
161.56990	3.5
166.08618	2.5
166.12280	25.9
170.57425	0.9
176.10709	100.0
176.15157	3.2
177.05614	4.1
177.09119	15.6
177.11035	2.7
177.12610	1.3
194.08134	6.4
194.11746	25.3
194.15331	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	77.2
70.06601	15.6
70.86604	18.8
70.86945	11.2
84.08129	21.1
98.97562	13.8
101.95033	21.7
121.62827	9.0
131.00208	52.8
136.06201	14.6
149.01222	100.0
167.02238	18.3
194.06696	33.9
194.08247	18.7
194.15344	12.1
200.83725	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	194.1177
Annotation	Winterstein's acid
Peak:m/z	Relative Intensity
51.39749	0.6
55.01871	3.5
55.05513	1.0
56.11868	0.7
62.56668	0.7
67.05510	3.5
68.05009	1.1
69.03416	2.8
69.07062	2.2
69.96553	3.1
70.06591	1.4
72.05643	0.8
79.05494	9.4
80.05002	2.9
81.06596	0.9
81.07050	10.6
82.06569	1.1
84.08130	0.9
86.73162	0.9
91.05468	5.8
92.05791	0.8
93.05809	0.9
93.07052	4.5
94.06602	1.5
95.04992	1.8
95.07331	1.2
95.08607	2.9
96.04503	10.1
96.08128	1.5
97.06528	8.2
98.06031	1.9
98.29879	0.8
105.05785	1.0
105.07024	3.9
106.06564	18.4
107.04961	1.8
107.07313	1.8
107.08602	4.7
108.08126	1.9
109.06522	2.0
110.06037	2.0
117.05764	1.1
118.06554	2.2
119.07319	2.1
119.08556	1.5
120.08113	4.3
121.06496	2.7
121.10134	2.7
122.06060	1.5
122.09683	0.9
123.06786	2.2
123.11668	1.5
124.07592	12.8
124.11224	5.3
129.07014	1.5
129.28416	0.7
131.07532	1.1
131.08559	7.9
132.08076	3.4
132.08949	0.8
133.05194	1.3
133.08859	3.3
133.10051	0.8
134.06018	40.3
134.09572	1.2
136.07591	4.4
137.06018	1.0
137.08330	1.6
138.09140	1.9
138.12761	6.1
146.09630	1.9
147.06769	2.2
148.07573	1.6
148.11201	32.7
149.05989	2.1
149.09624	3.2
150.09010	0.8
152.10719	1.0
158.09659	1.4
159.08043	1.4
166.10872	1.4
166.12279	26.0
176.10709	100.0
177.09059	3.9
189.35942	0.7
194.08168	2.2
194.11739	16.9
194.15395	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	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03938	4.3
55.01863	3.0
55.05517	48.7
57.03428	2.3
57.07069	2.6
59.04984	2.5
67.05513	32.2
69.03439	1.8
69.07072	21.4
70.00984	6.2
70.06564	1.8
71.04984	4.3
71.54659	1.3
79.05498	16.8
81.03413	4.4
81.07064	50.1
83.04986	100.0
83.08627	4.5
85.06537	4.8
90.96886	1.4
91.05486	17.9
92.05836	1.6
93.07044	21.3
95.04974	6.2
95.08615	28.9
97.06521	4.1
99.08081	5.7
99.36555	1.6
103.05453	1.7
105.07026	12.5
107.04893	1.9
107.08590	20.2
108.61111	1.8
109.06528	11.1
109.10163	51.7
111.08111	7.0
111.11787	3.6
119.07809	2.4
119.08593	28.1
121.06522	9.5
121.10173	9.8
122.06844	12.9
123.08102	7.2
123.11681	6.7
125.09633	2.7
133.06508	2.2
133.10124	33.0
135.11713	21.4
137.05995	2.0
137.09637	27.1
145.10083	1.7
147.04407	24.8
147.06255	1.7
147.08055	5.1
147.11723	8.0
149.13249	6.6
151.11214	3.2
161.05438	8.9
175.07549	4.6
175.11241	2.1
175.14842	31.4
193.04988	2.9
193.08405	3.1
193.10524	2.0
193.12212	3.1
193.15894	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1581
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
51.57071	1.1
53.03946	1.6
53.09997	0.9
55.01872	1.6
55.05516	6.5
57.03452	1.3
57.07073	2.7
59.04995	2.8
67.05504	14.1
69.07066	10.3
71.52634	1.5
79.05488	8.4
81.03417	13.7
81.07050	11.9
83.04980	1.4
83.08622	4.5
85.06541	2.1
91.05476	17.3
93.07046	11.8
95.04969	5.2
95.08021	1.0
95.08609	27.2
97.06524	2.1
103.05556	1.1
105.07030	22.4
105.07701	1.7
106.06539	1.3
107.04961	2.4
107.08595	13.5
109.06521	3.5
109.10158	23.8
111.08116	1.6
115.05446	1.3
117.07018	2.2
119.08583	68.4
121.06491	1.7
121.10159	7.5
123.04499	1.0
123.08083	2.8
123.11689	2.0
125.09701	1.3
129.07043	1.2
131.08578	4.4
133.06517	1.9
133.10133	71.5
134.06018	2.2
135.08086	1.2
135.11691	17.7
136.07579	1.2
137.05902	0.9
137.09625	10.9
145.10066	5.2
147.04399	1.7
147.08073	1.5
147.11694	20.7
148.11179	1.8
149.02374	1.8
149.09665	1.2
149.13246	6.6
151.11296	1.3
151.14841	6.8
151.34943	0.9
157.10110	1.9
159.11613	1.0
160.12480	2.4
161.06059	1.0
166.12375	1.0
175.11447	4.5
175.14830	100.0
176.10651	5.6
176.15245	0.9
193.04970	7.6
193.08507	1.7
193.12350	5.3
193.15887	24.7
194.08084	1.4
211.49182	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	beta-Ionone
Peak:m/z	Relative Intensity
53.03949	1.4
55.05514	9.5
57.07077	2.2
59.04998	2.4
63.91717	0.7
65.03934	0.8
67.05505	8.2
67.64864	0.7
69.03429	1.0
69.07070	30.7
70.49154	1.5
70.49551	1.6
71.04996	13.3
73.11613	0.6
79.05495	4.6
79.40325	0.7
81.03419	0.7
81.07065	18.5
83.04995	1.5
83.08622	2.7
85.06545	9.2
90.54253	0.7
91.05476	6.7
93.07048	26.0
93.07648	1.5
95.04974	30.0
95.08612	21.3
95.09104	0.4
95.09241	0.6
97.06525	3.9
97.10175	8.9
98.20924	0.7
99.08088	4.6
105.04551	0.7
105.07039	12.1
107.08598	28.9
109.06519	100.0
109.10158	15.8
111.08081	6.0
111.11697	3.8
113.09635	0.8
114.05820	0.7
115.05414	0.8
117.06954	0.6
119.08584	23.8
121.10146	8.0
123.08070	6.6
123.11707	21.8
123.74141	0.6
125.09661	1.4
128.96390	0.9
131.08554	1.6
133.10136	21.9
135.08032	0.9
135.11694	33.3
137.05978	0.9
137.09619	12.5
146.97420	1.6
147.11682	5.1
148.07573	1.2
149.02382	0.8
149.13252	9.3
151.11200	5.0
151.14799	1.5
160.12405	0.8
169.99052	0.8
175.14832	41.1
193.04993	4.3
193.08487	0.8
193.10136	1.9
193.12225	3.1
193.15891	71.4
194.08031	0.7
198.08049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1591
Annotation	beta-Ionone
Peak:m/z	Relative Intensity
53.03935	2.7
55.01863	2.4
55.05517	8.3
56.96580	4.1
57.03445	3.1
57.07084	4.9
59.04990	1.9
65.03936	1.2
66.29240	0.6
67.05511	17.8
69.03435	4.0
69.06745	0.7
69.07073	11.2
70.06573	1.5
71.04987	2.0
71.51369	0.7
71.51762	1.0
79.05088	0.9
79.05502	12.9
81.03423	14.8
81.07067	18.7
83.04994	5.7
83.08630	5.9
84.08126	1.3
85.06539	2.8
91.05489	20.5
93.06502	0.9
93.07053	19.3
95.04978	10.9
95.08616	31.2
97.02869	1.6
97.06532	3.6
97.10186	0.9
99.08091	1.0
103.05448	1.3
105.07040	27.1
107.04965	3.2
107.08607	15.5
109.06525	9.6
109.10165	28.3
110.06080	0.7
111.04420	1.5
111.08099	1.0
115.05450	1.7
116.00179	0.7
117.07024	2.7
119.04945	1.8
119.08591	58.6
120.08143	0.8
121.06503	2.5
121.10165	8.4
122.03642	0.8
123.04435	1.6
123.08086	4.9
123.11713	4.5
129.07021	3.5
129.53485	0.8
131.08566	6.3
133.02867	0.8
133.06572	3.4
133.10144	77.5
135.04385	0.6
135.08054	2.2
135.10709	1.5
135.11697	17.4
136.07585	1.1
137.05969	2.0
137.08670	1.2
137.09637	12.7
137.13278	1.4
138.10435	0.7
145.10117	3.9
146.97496	1.3
147.04419	1.6
147.08038	2.8
147.11703	24.4
148.07483	0.9
148.11205	0.8
149.05963	1.1
149.09624	4.2
149.13286	5.7
151.07576	1.9
151.11188	2.1
151.14861	5.4
156.99625	0.7
157.10130	3.9
160.12431	2.4
161.05632	2.1
165.05501	0.9
165.12817	1.5
169.99043	1.2
170.06042	0.9
173.13304	1.0
175.03864	1.5
175.07536	1.0
175.11284	8.3
175.14838	100.0
176.07069	1.1
176.10718	2.2
176.15178	1.2
177.09068	1.4
178.02573	1.2
178.07808	0.9
181.56641	0.8
193.04997	9.3
193.06596	1.3
193.08574	2.8
193.10219	2.2
193.12222	13.2
193.15906	23.0
193.17668	1.6
193.19456	0.7
194.08102	0.7
194.15503	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
51.00866	1.8
52.04979	2.0
53.03913	2.7
55.01873	3.6
55.05508	20.6
57.07072	5.0
59.04969	2.4
67.05508	29.1
67.33599	2.0
69.03441	9.9
69.07074	22.7
71.04979	3.5
71.51894	3.6
78.72789	2.1
79.05491	19.7
81.03407	12.6
81.07056	39.0
83.04981	19.6
83.08620	12.3
85.06536	4.4
91.05473	20.2
93.07045	31.1
95.04967	9.1
95.08609	59.2
97.06505	4.2
97.10145	3.4
99.08112	3.6
105.06402	2.8
105.07030	31.1
106.06531	6.3
107.08596	40.5
109.06522	21.5
109.10155	85.2
111.08075	10.2
117.07005	5.0
119.08585	88.9
120.09370	2.1
121.10142	31.8
123.08070	38.6
123.11705	11.5
131.08527	6.6
133.06429	2.6
133.09113	4.2
133.10135	75.1
134.06006	17.9
134.10558	2.0
135.11688	92.0
137.09624	37.7
138.10370	6.8
145.10135	4.8
147.11676	17.9
148.11221	16.4
149.13235	19.8
151.11185	8.5
151.14795	7.8
157.10065	2.0
166.12323	3.3
170.30038	2.2
175.11250	3.0
175.14832	100.0
176.09300	3.9
176.10718	51.9
178.02618	2.8
193.04936	11.1
193.08537	2.2
193.12221	9.3
193.15868	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00866	1.8
52.04979	2.0
53.03913	2.7
55.01873	3.6
55.05508	20.6
57.07072	5.0
59.04969	2.4
67.05508	29.1
67.33599	2.0
69.03441	9.9
69.07074	22.7
71.04979	3.5
71.51894	3.6
78.72789	2.1
79.05491	19.7
81.03407	12.6
81.07056	39.0
83.04981	19.6
83.08620	12.3
85.06536	4.4
91.05473	20.2
93.07045	31.1
95.04967	9.1
95.08609	59.2
97.06505	4.2
97.10145	3.4
99.08112	3.6
105.06402	2.8
105.07030	31.1
106.06531	6.3
107.08596	40.5
109.06522	21.5
109.10155	85.2
111.08075	10.2
117.07005	5.0
119.08585	88.9
120.09370	2.1
121.10142	31.8
123.08070	38.6
123.11705	11.5
131.08527	6.6
133.06429	2.6
133.09113	4.2
133.10135	75.1
134.06006	17.9
134.10558	2.0
135.11688	92.0
137.09624	37.7
138.10370	6.8
145.10135	4.8
147.11676	17.9
148.11221	16.4
149.13235	19.8
151.11185	8.5
151.14795	7.8
157.10065	2.0
166.12323	3.3
170.30038	2.2
175.11250	3.0
175.14832	100.0
176.09300	3.9
176.10718	51.9
178.02618	2.8
193.04936	11.1
193.08537	2.2
193.12221	9.3
193.15868	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
50.54203	0.2
51.21238	0.2
53.03940	0.5
55.01889	0.4
55.05518	4.7
57.03446	0.6
57.07084	3.7
59.04998	1.3
61.37695	0.2
65.03938	0.6
66.88802	0.2
67.05511	9.9
69.03441	0.5
69.07071	9.1
70.06617	0.3
71.05022	0.3
71.08672	0.3
71.51666	0.4
73.54739	0.2
77.03916	0.5
79.05499	3.8
81.03423	6.6
81.07064	9.2
83.04984	1.4
83.08627	3.8
85.02921	0.4
85.06548	1.8
91.04913	0.4
91.05486	8.2
93.07050	6.8
95.04971	3.0
95.08614	23.3
97.02901	0.5
97.06532	0.5
99.08102	0.5
103.05454	0.8
104.06242	0.4
105.07040	14.8
107.04976	0.9
107.08607	8.3
109.06532	2.0
109.10165	22.2
111.08067	0.5
114.24030	0.3
115.05441	0.6
117.07029	1.9
119.08588	56.4
120.09436	0.3
121.06497	0.5
121.10153	4.7
123.08076	2.2
123.11701	1.8
129.07008	1.1
131.08594	2.2
132.09396	0.3
133.02872	0.7
133.06519	0.8
133.10139	62.1
134.10872	1.1
134.34904	0.3
135.08073	0.4
135.11703	15.6
137.09625	8.6
139.03807	0.3
142.07715	0.2
145.10136	3.9
147.04433	1.4
147.08131	1.4
147.11697	16.0
149.02342	0.8
149.09612	0.6
149.13255	4.8
151.11244	0.6
151.14839	6.1
157.10172	0.5
159.11736	0.6
160.12445	3.4
161.06000	0.4
173.13271	1.7
175.14833	100.0
176.15207	1.5
178.02583	0.6
193.04971	3.4
193.08655	0.6
193.12314	1.7
193.15891	17.1
194.11911	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57071	1.1
53.03946	1.6
53.09997	0.9
55.01872	1.6
55.05516	6.5
57.03452	1.3
57.07073	2.7
59.04995	2.8
67.05504	14.1
69.07066	10.3
71.52634	1.5
79.05488	8.4
81.03417	13.7
81.07050	11.9
83.04980	1.4
83.08622	4.5
85.06541	2.1
91.05476	17.3
93.07046	11.8
95.04969	5.2
95.08021	1.0
95.08609	27.2
97.06524	2.1
103.05556	1.1
105.07030	22.4
105.07701	1.7
106.06539	1.3
107.04961	2.4
107.08595	13.5
109.06521	3.5
109.10158	23.8
111.08116	1.6
115.05446	1.3
117.07018	2.2
119.08583	68.4
121.06491	1.7
121.10159	7.5
123.04499	1.0
123.08083	2.8
123.11689	2.0
125.09701	1.3
129.07043	1.2
131.08578	4.4
133.06517	1.9
133.10133	71.5
134.06018	2.2
135.08086	1.2
135.11691	17.7
136.07579	1.2
137.05902	0.9
137.09625	10.9
145.10066	5.2
147.04399	1.7
147.08073	1.5
147.11694	20.7
148.11179	1.8
149.02374	1.8
149.09665	1.2
149.13246	6.6
151.11296	1.3
151.14841	6.8
151.34943	0.9
157.10110	1.9
159.11613	1.0
160.12480	2.4
161.06059	1.0
166.12375	1.0
175.11447	4.5
175.14830	100.0
176.10651	5.6
176.15245	0.9
193.04970	7.6
193.08507	1.7
193.12350	5.3
193.15887	24.7
194.08084	1.4
211.49182	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03954	5.0
55.01871	2.6
55.05518	5.9
56.96568	2.1
57.03441	99.8
57.07062	1.6
59.04988	1.7
65.03941	2.3
67.05138	1.0
67.05505	18.4
69.03429	4.0
69.07064	2.8
69.27214	8.8
71.04985	1.7
71.81298	0.8
75.04479	4.2
79.05495	15.3
81.03003	1.1
81.03429	6.1
81.07066	10.5
83.04973	2.3
83.08615	1.5
85.06547	10.4
87.04470	1.3
91.05486	58.2
91.54832	0.9
93.07047	71.6
95.04974	15.9
95.08589	5.9
97.06533	3.4
97.53414	0.9
99.08080	1.2
103.05466	2.6
104.06277	1.2
105.04518	2.7
105.07037	42.6
107.04948	4.9
107.08598	16.8
109.06525	8.2
109.10165	11.4
111.08086	1.8
115.05479	2.7
117.07031	10.0
119.04916	1.2
119.08588	100.0
120.08073	0.9
121.06512	68.4
121.10143	2.6
123.04471	1.0
123.08066	1.4
123.11672	1.1
128.06223	1.3
128.98579	1.1
129.07005	5.8
131.04927	1.0
131.08582	4.2
133.02843	1.1
133.06502	9.2
133.10139	39.0
135.08069	7.2
135.11716	5.4
136.07593	1.1
137.06018	3.2
137.09622	27.5
142.07774	7.6
145.06462	4.4
145.10152	3.5
146.07283	12.9
146.97426	2.7
147.08061	36.5
147.11699	42.7
149.09630	1.2
149.13242	1.9
151.07559	2.3
151.11159	1.0
157.07509	1.2
157.10127	10.7
160.08841	7.2
161.06026	1.1
161.09564	1.5
165.12769	1.1
169.99048	2.0
175.11191	57.0
175.14795	10.2
193.04880	4.8
193.06506	0.9
193.08580	2.0
193.10385	1.7
193.12265	15.8
193.15929	3.8
214.43887	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(+)-Harzialactone A
Peak:m/z	Relative Intensity
53.03935	2.5
55.01861	4.7
55.05495	4.0
56.96586	1.3
57.03440	99.4
57.07056	1.5
65.03916	1.7
67.05511	8.2
69.03428	8.1
69.07060	4.7
69.16740	9.5
70.06597	1.5
71.04993	1.7
77.49944	1.0
79.05495	15.3
80.05023	1.5
80.07392	1.1
80.20150	1.0
81.03408	4.1
81.06651	1.5
81.07063	15.8
83.04972	4.6
83.08631	1.9
85.02901	1.8
91.05485	26.4
93.07036	10.9
95.04964	8.1
95.08615	10.9
97.02892	5.0
97.06545	5.5
98.21543	2.4
99.08066	1.1
103.05497	6.0
105.07037	49.7
107.04951	4.6
107.06114	1.3
107.08603	8.0
109.06519	13.8
109.10181	6.8
111.04485	1.1
115.05462	9.6
116.06223	1.0
117.07020	4.5
118.04150	3.7
119.04966	2.3
119.08588	29.3
120.08092	1.9
121.06501	3.0
121.10160	3.5
122.09672	2.6
123.04421	3.4
123.08051	4.3
123.11721	1.7
125.05988	2.6
129.07056	5.8
131.04945	2.1
131.08556	2.1
132.05708	2.9
133.02866	2.6
133.06500	33.3
133.10124	12.3
135.08075	2.0
135.11729	9.2
136.07559	1.3
137.05988	69.9
137.09593	8.4
137.13188	1.5
143.06052	2.2
146.97485	2.1
147.08049	36.0
147.11703	7.1
149.02328	3.1
149.09570	2.5
151.07568	1.9
151.11201	2.0
157.10211	1.8
159.11862	1.3
161.06000	43.9
165.09155	6.4
165.12788	1.4
166.12257	1.8
169.99207	1.3
175.07550	15.4
175.11205	3.5
175.14838	9.3
176.10718	1.5
178.02597	1.7
178.07744	1.2
193.04962	11.0
193.08612	100.0
193.12256	9.5
193.13535	4.4
193.15872	8.6
193.17578	1.8
194.15450	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	192.102
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
51.60806	0.2
53.03959	1.1
55.01878	0.5
55.05506	0.3
56.05058	0.6
57.03440	0.4
59.61587	0.2
61.33273	0.2
65.03933	0.3
67.05506	0.6
68.04999	0.3
69.03449	0.3
69.07074	0.4
70.06600	0.3
71.02079	0.3
71.02425	0.4
72.04530	2.8
77.03926	0.5
79.05483	1.3
81.03427	0.5
81.07063	0.7
84.08178	0.4
85.06509	0.3
86.09711	0.4
91.05492	7.2
93.07054	12.1
94.06573	0.6
95.04990	1.3
95.08644	0.4
96.04504	1.0
103.05480	7.4
104.05020	0.3
105.04550	0.7
105.07066	1.7
106.06558	0.3
106.07352	0.5
107.04966	3.4
107.07346	0.3
108.05256	0.3
108.08112	0.6
108.08842	0.3
109.06570	0.3
110.07187	0.4
110.09664	0.3
117.07024	0.5
118.06541	0.4
119.08607	2.0
120.08109	1.5
120.08902	0.4
121.06519	100.0
122.06035	0.5
122.06850	0.6
122.09679	0.7
129.06996	0.4
131.07254	0.4
131.08698	0.2
132.04552	0.3
132.05577	1.0
132.08957	0.3
133.06401	0.5
133.10161	0.4
134.10483	0.8
136.07593	2.7
136.11232	0.7
137.09587	0.7
144.08954	0.3
146.06021	2.6
146.09637	0.7
147.04427	0.8
147.08093	1.3
148.07558	0.9
148.12039	0.4
149.09645	0.3
156.14655	0.3
160.05081	47.4
161.05420	0.3
164.07072	0.9
164.10721	3.2
174.09145	2.5
174.13591	0.6
175.07573	0.7
192.07693	11.9
192.10204	21.1
192.14552	0.9
192.17517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03947	0.5
55.05515	1.9
56.96574	0.4
57.07072	0.7
58.06599	0.6
62.46455	0.4
64.52525	0.5
65.03966	0.6
65.67885	0.4
67.05505	3.4
69.03431	1.8
69.07066	3.0
69.73806	2.0
71.04997	3.2
79.05489	3.9
81.07066	4.8
83.04990	1.7
83.08623	1.3
84.08150	0.8
85.06552	2.0
85.10254	0.4
91.05485	10.0
93.07041	7.5
95.04971	1.7
95.08608	5.0
97.06536	4.3
99.08128	0.4
103.05482	0.5
105.07033	23.2
107.04951	1.7
107.08592	11.6
108.90460	2.2
109.06530	5.3
109.10156	7.2
111.08066	1.2
113.09630	0.6
116.06252	0.8
117.07038	3.0
118.07823	0.5
119.08581	5.5
121.06509	2.8
121.09322	0.9
121.10141	7.6
123.08070	4.2
123.11771	0.8
129.06978	1.5
130.07803	1.1
131.08575	25.1
133.10132	100.0
134.10445	0.7
135.04364	0.7
135.08057	8.2
135.11684	3.7
137.09586	0.9
143.08577	2.8
144.09332	1.8
145.06514	0.7
145.10118	10.7
146.06178	0.5
147.08069	0.8
147.11691	4.8
149.05975	0.9
149.09592	2.8
149.13257	5.5
149.93134	0.5
158.10912	5.3
160.05035	0.7
161.09605	1.1
163.11180	3.6
163.14828	1.0
171.11731	0.5
173.05963	0.5
173.09613	1.5
173.13261	34.7
176.08267	0.7
177.56380	0.5
191.06985	0.7
191.10661	6.3
191.14301	35.2
191.17834	3.0
195.22217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	0.4
55.05511	3.4
57.07066	0.6
67.05517	2.6
69.03428	8.0
69.03773	0.6
69.07083	2.3
70.00076	0.7
70.00468	0.7
71.04990	1.1
78.71438	0.3
79.05502	2.7
81.03400	0.3
81.07063	4.1
83.04990	1.1
83.08601	0.7
91.05482	4.5
93.07047	4.1
95.04969	1.2
95.08603	2.7
97.06567	0.4
98.21382	0.4
104.22930	0.4
105.07033	9.7
107.04957	1.3
107.08595	14.3
109.06530	2.6
109.10167	7.3
111.08041	0.5
115.05511	0.9
117.07026	1.5
118.07814	0.7
119.06105	0.4
119.08576	3.8
121.06499	1.8
121.10152	11.2
122.07306	2.6
123.08069	1.1
129.07019	0.8
131.08566	4.7
132.55408	0.4
133.10133	100.0
135.08064	5.2
135.11655	2.2
136.49030	0.3
137.09625	20.2
139.55934	0.4
143.08562	1.5
144.09282	0.5
145.10150	3.0
147.11708	2.9
149.09619	1.6
149.13264	8.5
158.10915	2.4
163.11180	0.7
163.14841	1.5
168.96355	0.4
173.09622	0.7
173.11766	0.7
173.13260	11.7
173.14722	0.8
191.10674	1.6
191.14302	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.58167	1.1
53.03938	2.4
55.01864	1.2
55.05499	3.7
57.07073	6.1
59.04990	1.6
61.46902	1.0
67.05502	16.3
69.03421	4.4
69.07068	5.7
71.04994	10.1
75.40805	1.0
79.05485	16.0
81.07057	11.0
83.04967	3.5
83.08612	3.5
85.06534	4.2
88.65665	1.1
91.05483	21.5
93.07046	26.3
95.04963	9.9
95.08607	12.3
97.06532	3.4
100.26575	1.1
105.07037	28.8
107.04980	2.4
107.08598	36.1
108.90443	4.9
109.06516	25.6
109.10161	41.0
111.08070	2.4
117.07018	13.4
118.06522	1.0
119.08582	18.5
121.06545	6.3
121.10139	20.1
123.08067	11.4
128.31142	1.1
129.07008	5.6
130.07788	4.0
131.08569	63.4
133.06514	1.8
133.10127	22.2
135.08058	35.9
135.11674	3.6
143.08549	8.7
144.09290	6.8
145.10123	40.2
146.06018	1.8
147.08040	1.3
147.11694	19.5
148.07613	1.1
148.08765	1.2
149.09641	9.6
149.13252	13.2
149.93077	1.6
150.10379	1.9
158.09674	1.7
158.10904	15.2
160.05017	1.2
161.09604	1.7
163.11176	3.4
163.14807	4.0
165.98683	1.1
171.11644	1.6
173.13264	100.0
176.11996	1.4
179.17018	1.0
190.65189	0.9
191.06992	1.4
191.10677	7.4
191.14302	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.02401	0.4
53.03952	0.7
53.86552	0.3
55.01866	0.7
55.05511	4.5
57.03440	0.7
57.07071	1.3
58.06584	0.5
59.04983	0.4
65.03949	1.1
67.05507	8.0
69.03432	8.3
69.07073	6.0
70.06469	1.2
70.06831	0.6
70.72320	0.4
71.04996	7.6
73.67188	0.3
74.16367	0.3
79.05499	6.1
79.05924	0.6
81.03416	0.6
81.07055	8.3
81.29823	0.3
82.87707	0.3
83.04976	2.5
83.08629	2.1
84.08194	0.5
85.06546	2.6
91.05481	9.7
93.07048	11.1
95.04984	4.2
95.08057	0.7
95.08610	7.9
97.02908	0.3
97.06542	3.6
99.53370	0.3
103.05507	0.8
105.03404	0.3
105.07037	20.3
107.04962	2.3
107.08596	28.3
109.06529	7.8
109.10160	16.9
109.10925	0.4
111.08072	0.9
112.54462	0.3
115.05457	2.4
116.06282	0.6
117.07022	9.5
118.07801	0.9
119.06099	0.4
119.08586	7.0
121.02949	0.4
121.06522	7.2
121.10148	27.3
122.07302	2.0
123.07205	0.6
123.08071	8.7
123.11707	0.4
127.05441	0.6
128.06212	0.6
129.07042	1.6
130.07794	1.2
131.04929	0.4
131.08574	13.6
133.10135	100.0
134.10516	0.5
135.08064	11.8
135.11676	5.2
137.09625	14.1
143.08572	2.4
144.09311	0.6
145.06476	4.0
145.10120	8.1
147.08055	0.7
147.11703	8.2
148.08818	1.2
149.02364	1.5
149.05917	0.6
149.09647	4.6
149.12054	0.8
149.13252	14.1
155.04938	4.8
155.06071	0.6
155.08604	0.4
158.10905	4.2
160.05133	0.4
161.09685	0.6
163.07616	0.4
163.11176	4.0
163.14830	3.3
173.05992	16.2
173.09633	1.9
173.13272	18.4
176.11961	0.4
191.07042	2.5
191.10683	5.5
191.14313	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01881	1.2
55.05510	2.0
57.03442	0.5
57.07075	0.5
59.05001	0.5
62.65793	0.4
65.03946	0.6
67.05516	4.2
69.03453	0.9
69.07078	3.0
70.76178	1.0
70.76511	0.4
71.04996	3.3
77.45937	0.4
79.05501	3.7
81.07066	4.7
83.05002	0.5
83.08611	1.1
85.06553	1.9
91.05486	10.0
91.06031	0.8
93.07047	6.7
95.04977	2.6
95.08611	6.3
95.48252	0.4
95.69728	0.4
97.06534	4.6
99.08095	0.6
103.05470	1.0
105.07037	23.7
107.04955	1.2
107.08610	9.0
108.90462	0.8
109.06521	10.6
109.10161	11.4
111.08052	0.7
113.09650	0.8
115.05450	0.9
116.06237	1.0
117.07037	3.1
118.07814	1.0
119.08575	6.0
119.60724	0.4
121.06512	2.2
121.10146	6.8
123.08070	5.2
123.11717	0.4
129.06996	1.5
130.04605	0.5
130.07845	1.1
131.08571	25.7
133.10133	100.0
134.04945	0.6
134.10472	1.1
135.08061	12.4
135.11703	3.1
140.23907	0.4
143.05403	1.6
143.08537	2.8
144.09341	0.8
145.10136	10.1
147.08060	0.5
147.11703	4.3
148.05177	0.4
149.05957	0.6
149.09639	5.0
149.13275	4.1
152.05986	0.4
156.09262	0.5
158.10928	6.0
163.07584	0.5
163.11171	1.8
163.14851	1.1
173.09613	1.5
173.13269	39.4
176.05733	0.9
191.07033	1.2
191.10661	4.3
191.14307	27.4
191.17946	2.2
212.58603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
55.05513	7.3
57.03432	1.1
57.07077	1.8
59.04989	3.1
59.34552	0.8
65.03924	1.2
66.57176	0.7
67.05504	6.6
69.03430	13.7
69.07073	12.1
69.56033	4.8
71.04972	2.2
79.05495	9.7
81.07066	13.0
83.04984	13.4
83.08600	3.2
84.08123	1.0
85.06532	2.5
91.05479	12.6
93.07051	13.9
95.04969	3.3
95.08614	12.9
97.06533	5.4
102.59503	0.8
103.05492	2.0
104.89951	0.8
105.07040	35.1
107.04959	1.6
107.08597	50.1
109.06523	8.0
109.10151	6.7
111.08086	1.5
115.05433	2.3
116.06223	1.3
117.07009	4.6
119.08592	13.5
121.06508	11.7
121.10149	23.9
123.08075	3.4
123.11738	1.0
129.06984	2.4
130.07790	1.0
131.07600	1.9
131.08566	25.4
133.06500	35.4
133.10139	29.7
135.08063	16.4
135.11716	8.3
143.08530	6.4
144.09369	1.1
145.06577	0.9
145.10136	15.5
147.08136	0.9
147.11719	16.1
149.09615	7.6
149.13254	14.0
158.10916	11.3
161.09608	2.7
163.11206	3.4
163.14836	8.8
171.11705	1.0
173.09700	1.6
173.13271	42.7
176.11977	1.7
191.07008	1.4
191.10695	6.5
191.14317	100.0
207.87599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03944	2.1
53.74070	1.0
54.09631	1.2
55.01864	2.7
55.05514	5.5
57.03419	1.5
57.07072	4.9
59.04989	1.7
63.91370	1.0
67.05506	9.9
69.03430	6.5
69.07068	13.7
69.38356	2.0
69.38770	7.2
71.04970	2.9
73.83633	1.0
79.05498	10.0
81.07056	15.3
83.04970	5.0
83.08610	5.2
85.06548	1.4
91.05486	12.7
93.07049	24.2
95.04977	3.8
95.08614	23.0
95.09200	0.8
97.06541	3.0
103.05458	1.6
105.07030	22.6
107.04960	10.7
107.08598	42.8
109.06549	5.4
109.10155	12.9
115.05488	1.6
117.07020	8.0
119.08584	15.1
121.06506	20.8
121.10151	23.1
123.08102	6.3
123.11674	1.1
129.07011	2.0
130.07840	1.1
131.08572	26.1
133.10133	31.9
135.08054	23.9
135.11707	7.7
137.09610	2.6
143.08543	4.0
145.10115	14.9
147.08014	1.3
147.11699	17.5
148.08821	2.0
149.09630	11.1
149.13255	15.4
158.10934	8.6
161.09578	1.4
161.13263	1.7
163.11118	1.6
163.14828	15.0
171.11758	1.5
173.13274	41.4
191.14317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
54.46402	0.8
55.05502	2.4
56.13351	0.7
57.07059	1.8
59.04999	0.9
67.05487	2.4
69.03139	0.8
69.03433	8.7
69.07078	4.3
70.09305	1.7
70.09695	1.9
72.61610	0.7
79.05499	4.3
81.07056	3.7
83.04987	7.0
83.08631	0.9
85.06558	0.9
89.28155	0.8
91.05490	7.9
93.07050	8.7
95.08595	3.9
97.06522	1.6
105.07043	10.7
107.04897	1.1
107.08604	21.8
109.06506	1.5
116.06259	1.5
117.07013	3.4
119.08596	10.2
121.06496	3.0
121.10142	11.8
123.08027	1.7
129.06982	2.1
130.07800	1.1
131.08575	31.9
133.10149	10.6
135.08078	8.2
135.11710	2.3
143.08548	5.5
144.09329	1.0
145.10156	10.8
147.11694	7.4
149.09660	4.0
149.13281	4.0
149.45726	0.8
158.10913	9.9
160.05101	0.9
161.09621	2.3
161.13243	2.6
163.14772	2.6
166.73903	0.8
173.13283	34.2
176.12025	1.3
191.14319	100.0
192.14616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1069
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
51.68460	1.0
53.03937	3.9
55.01875	5.8
55.05516	9.4
57.03445	1.8
61.31816	0.9
67.05512	8.2
69.03146	0.9
69.03439	11.6
69.07074	2.6
70.97501	1.9
71.04994	7.2
77.03915	1.6
79.05502	18.8
81.03459	0.9
81.07059	12.1
83.04987	8.4
85.93044	0.9
91.05483	29.2
93.07050	46.6
95.04379	1.4
95.04979	15.7
95.08607	2.2
96.05752	1.3
96.30669	1.0
97.06560	6.0
99.04437	1.1
103.05459	2.6
105.07037	70.6
107.04986	6.3
107.07879	1.8
107.08606	37.4
109.06522	20.4
109.10151	1.7
115.05448	4.1
116.06231	1.6
117.07025	24.5
119.08591	15.0
121.06513	61.8
121.10147	15.5
122.06868	1.1
123.08060	3.8
127.07542	1.3
129.06996	4.2
130.07797	16.1
131.08582	28.4
133.06502	2.6
133.10143	7.2
135.04391	3.5
135.07130	1.8
135.08073	23.9
135.11713	12.5
143.08580	6.2
145.06490	2.7
145.10132	100.0
147.08014	3.8
147.11714	5.7
148.08859	1.1
149.05995	9.7
149.09624	11.7
153.07007	1.3
155.08557	5.5
158.07306	7.9
163.07558	1.9
163.11191	81.5
173.09631	43.5
173.13281	3.9
174.40231	1.2
191.10686	100.0
191.14258	8.7
192.11055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
53.03939	2.1
55.01873	5.0
55.05514	9.9
57.03431	2.4
57.07077	0.9
61.68448	0.7
64.40158	0.7
65.03927	1.3
67.05507	8.8
69.03085	1.1
69.03436	12.7
69.07076	4.3
70.05354	3.3
70.98618	0.8
71.05000	7.0
75.27528	0.7
77.03906	0.7
79.05495	18.0
81.03458	1.0
81.07059	15.5
83.04983	7.2
83.08608	1.3
85.06537	1.0
91.04913	1.1
91.05485	25.5
93.07051	41.5
95.04974	14.6
95.08620	5.7
97.06538	6.8
98.20857	1.0
103.05460	3.2
105.07036	65.4
106.07346	1.0
107.04966	7.0
107.08598	37.9
108.90459	2.4
109.06520	15.3
109.10157	4.2
115.05475	4.0
116.06252	1.5
117.06230	1.4
117.07021	20.8
118.06546	0.8
119.08587	16.6
121.06512	54.0
121.10148	19.3
121.22819	0.8
123.04491	1.1
123.08077	2.8
128.06194	1.6
129.07022	4.5
130.07780	11.8
131.04895	0.9
131.07596	1.7
131.08575	29.2
133.06496	3.7
133.10141	17.9
135.04410	3.5
135.05342	0.8
135.08063	26.1
135.11685	10.6
141.05533	0.9
143.08560	6.3
145.06458	3.1
145.10127	95.4
147.08070	4.3
147.11691	9.6
149.05991	9.1
149.09641	12.8
149.13226	3.1
153.07008	1.3
155.06078	1.1
155.08514	4.0
158.07289	5.7
158.10922	2.8
161.09628	1.2
163.07616	1.6
163.11189	72.4
163.14838	2.2
170.45065	0.7
173.08098	1.4
173.09631	37.1
173.13240	11.4
191.07013	2.2
191.10677	100.0
191.14302	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	191.1066
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
52.40353	1.1
53.03939	3.1
55.01862	4.3
55.05516	11.0
65.03935	1.4
67.05526	6.3
69.03427	8.4
69.07075	3.2
71.05006	7.3
71.52373	1.9
77.03931	2.1
79.05497	17.4
81.03423	1.6
81.07059	13.4
83.04984	5.5
91.05485	28.1
93.07050	45.5
93.07643	2.3
95.04971	17.0
95.08609	2.5
97.06551	8.8
103.05473	2.8
103.21597	1.3
105.07037	70.5
107.04935	5.1
107.07881	2.2
107.08600	37.6
109.06521	16.2
115.05470	4.4
116.06228	2.4
117.07012	25.8
119.08586	14.1
121.06514	58.7
121.10144	18.7
123.04410	1.5
128.06203	1.8
129.07043	3.2
130.07777	14.6
131.04948	1.5
131.08575	36.3
133.06459	1.8
133.10123	10.4
135.04399	3.7
135.08070	20.3
135.11703	9.7
143.08559	5.2
145.06490	2.9
145.10129	94.0
147.08064	1.8
147.11707	8.1
149.06018	9.1
149.09619	12.1
149.13220	1.5
155.08560	5.3
157.06476	1.3
158.07301	8.3
158.10909	1.4
163.11191	75.7
173.07326	1.6
173.09642	39.5
173.13257	6.5
191.10674	100.0
191.14278	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	190.1262
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99084	0.4
55.05522	0.4
56.96572	0.7
57.07080	16.8
59.99115	3.1
67.05517	0.5
69.79766	1.3
70.06590	0.2
71.55965	0.2
72.29162	0.3
77.88666	0.2
78.00159	27.0
78.25615	0.2
79.05473	0.3
81.07069	0.3
84.08150	0.7
86.09713	7.2
87.23594	0.2
88.02222	0.6
91.05430	0.4
92.01704	0.6
93.07039	0.5
98.20679	0.4
102.34991	0.3
105.07038	0.8
107.08612	0.6
108.90457	0.7
109.10204	0.3
116.05319	0.6
119.08578	0.6
120.08138	0.5
120.08912	0.4
120.36190	0.2
133.10136	1.0
134.06363	33.4
134.10483	0.4
147.81319	0.2
148.07922	2.9
149.02353	1.2
149.93123	0.4
157.88336	0.2
158.05923	0.3
172.07646	0.2
190.12617	100.0
191.10603	0.3
191.12878	0.5
191.14417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01852	1.5
55.05511	4.0
57.07080	0.8
59.04986	0.9
65.03938	0.7
67.05508	3.9
69.03432	3.6
69.06731	0.5
69.07074	5.8
70.06589	0.5
71.28271	0.8
79.05498	7.4
79.63709	0.5
81.03419	0.7
81.07056	8.0
83.04981	2.8
83.08607	0.7
88.98627	0.4
90.31931	0.4
91.05485	12.0
93.07040	7.7
95.04973	2.3
95.08617	2.7
97.06526	1.2
103.05469	1.8
105.03399	1.2
105.07037	37.1
107.04943	1.0
107.08610	4.8
109.06521	3.6
111.08094	1.2
115.05450	0.9
117.07025	8.4
119.04945	2.2
119.08585	50.4
121.06483	2.5
121.10137	1.2
123.08071	2.5
128.06209	3.6
129.07021	5.1
130.07762	1.3
131.08566	8.6
133.06506	6.8
133.10135	14.3
135.08080	2.5
141.07014	3.2
142.07773	1.8
143.08568	10.1
144.09323	1.2
145.06461	1.7
145.10126	11.2
145.11281	0.6
146.07274	1.0
146.10904	1.1
147.08057	14.1
147.11697	20.4
153.06941	0.5
155.08537	1.2
156.08080	1.0
156.09357	20.3
159.08063	6.9
159.09311	0.8
159.11703	10.4
159.26868	0.4
160.08871	2.8
161.09639	6.8
161.13268	28.1
171.11694	27.4
171.13866	0.6
174.10413	18.1
189.12750	100.0
190.13004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.9
56.09408	0.6
56.96553	2.2
67.05489	1.4
69.03439	4.5
69.07059	1.2
70.06590	0.9
70.66509	1.8
72.08147	0.7
79.05486	1.5
81.07051	2.9
83.04969	1.2
83.08623	0.8
84.08150	1.2
90.01772	0.7
91.05484	4.9
93.07026	2.4
95.04950	1.0
95.08620	3.4
98.20753	0.7
101.34499	0.7
103.05465	0.7
104.02392	0.6
104.30128	0.5
105.07039	11.3
106.90512	1.9
106.96547	0.9
107.04858	0.7
107.08581	2.9
113.96357	0.6
115.05451	0.8
117.07014	2.4
119.08588	14.3
121.06540	1.3
121.10142	1.6
128.06226	3.2
129.07007	2.6
130.07764	3.6
131.08585	4.6
133.06461	2.6
133.10135	9.5
135.87370	0.7
141.07001	5.3
142.07759	1.2
143.08600	6.7
144.09335	1.5
145.06544	1.2
145.10139	12.8
146.04010	0.7
146.07317	0.6
146.10930	0.9
147.08047	6.2
147.11697	8.7
149.02316	0.7
152.82956	0.6
155.08533	2.3
156.09354	44.9
157.09714	0.7
159.08067	5.2
159.09187	0.9
159.11685	11.6
160.08846	1.0
161.05963	1.2
161.09578	2.6
161.13304	3.0
171.11694	61.3
172.12015	0.9
174.10442	6.2
189.03751	1.0
189.09204	5.8
189.12741	100.0
189.16292	8.0
190.13100	1.0
209.72968	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05517	0.8
56.05037	1.7
56.05266	0.3
57.03438	1.1
57.75137	0.3
58.06582	0.3
58.87997	0.3
59.04995	2.1
59.70337	0.3
60.04513	1.2
60.54203	0.3
61.02932	8.4
67.05523	0.3
67.89330	0.3
69.03424	1.2
69.15610	2.3
69.16021	0.9
70.02971	2.2
70.06601	0.5
71.04998	1.2
72.04516	0.7
72.08160	0.3
73.02949	0.4
82.06580	1.8
83.04987	4.0
84.04510	100.0
84.08152	0.9
85.02910	17.6
86.06071	0.7
87.04472	5.9
91.05518	0.4
96.04503	0.3
98.06084	0.4
100.07611	1.7
110.06042	2.8
111.04482	1.1
117.06230	0.3
117.61275	0.3
126.05519	5.5
126.06396	0.5
128.06223	0.5
128.07086	5.5
129.05496	1.4
142.08681	0.5
146.05948	0.5
146.08130	0.7
170.08125	0.9
188.09212	13.2
188.10669	0.6
188.17496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1235
Annotation	19461-38-2
Peak:m/z	Relative Intensity
51.34723	0.3
53.49593	0.3
54.62775	0.3
69.07068	0.6
70.06594	1.0
70.09196	0.8
70.09590	0.8
75.05614	0.5
84.08149	1.5
86.09713	100.0
87.10059	0.6
91.05457	0.4
98.97602	0.4
110.07223	0.5
119.15522	0.3
120.08147	0.4
128.00787	0.8
132.10216	44.2
136.07652	0.5
143.11807	28.6
149.32314	0.4
171.11375	0.7
189.04095	0.8
189.12335	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	188.0708
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
54.39616	0.3
69.54066	1.1
69.54475	1.1
70.06625	0.4
83.71122	0.4
91.05479	3.5
98.20785	0.8
108.61651	0.3
111.14912	0.4
111.80852	0.4
115.05469	4.8
117.05762	1.0
117.07025	4.5
118.06546	63.4
119.06866	0.5
128.04942	0.5
132.08144	0.8
142.06519	5.0
143.07310	9.5
144.04468	0.7
144.08089	22.4
145.06477	0.6
146.06013	100.0
147.06403	0.9
155.06041	0.9
160.07585	0.9
170.06013	9.3
188.07074	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71107	0.2
55.05515	1.0
56.05037	3.3
58.06610	0.2
65.03955	0.2
67.05508	7.6
69.56111	0.2
70.06210	0.2
70.06594	3.9
70.96472	0.4
74.93895	0.2
78.65218	0.2
81.07063	1.3
82.06590	0.3
84.08148	100.0
97.08911	0.9
98.09697	2.8
109.10159	2.9
126.12799	70.2
127.13141	0.2
144.13838	1.3
183.94411	0.2
186.14902	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1174
Annotation	trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acid
Peak:m/z	Relative Intensity
53.03957	1.3
55.01885	2.5
55.05520	7.9
56.05019	0.8
56.96576	0.6
57.03451	1.4
57.07091	1.2
58.06617	1.2
58.83500	0.7
59.05013	1.1
67.05515	21.1
69.03438	1.9
69.07077	100.0
69.71128	2.3
69.71541	1.3
70.06583	3.9
71.05003	30.7
72.04534	0.9
72.08175	2.3
73.06561	13.6
79.05500	24.8
81.03436	3.2
81.07066	59.6
83.05016	3.3
83.08640	1.2
84.04517	0.8
84.08156	33.3
85.02912	1.4
85.06570	1.9
86.09712	7.1
87.04488	11.4
91.05509	2.5
93.07056	21.4
95.04986	1.8
95.08620	14.8
96.08147	0.9
97.06539	26.6
97.07157	1.3
97.10191	1.2
98.09745	0.8
98.20782	1.3
99.08105	5.5
101.06036	2.9
102.96870	3.9
105.07072	2.3
107.08607	6.0
109.06572	0.7
109.10151	1.4
110.06075	0.8
110.07191	1.3
111.04456	1.6
111.08105	1.3
114.01149	0.8
114.05588	1.3
115.07579	4.7
117.05235	0.6
120.97931	2.6
121.06536	1.6
121.10159	25.0
123.08083	23.3
123.08973	1.2
123.11720	5.3
125.02390	0.7
125.06001	7.8
125.09641	1.4
126.01089	11.9
126.05546	0.9
126.09165	1.1
126.12820	9.4
127.12333	5.4
128.02661	4.3
129.07050	1.3
131.08618	1.6
133.27603	0.6
137.09564	0.6
139.11200	40.8
140.10751	1.9
143.07056	19.0
149.09644	4.4
157.06490	0.8
157.10155	1.1
159.34085	0.6
161.08154	0.9
167.03723	4.5
167.10695	23.5
167.15544	1.3
168.13899	0.8
181.02979	1.0
185.04761	17.7
185.11783	32.9
185.13333	1.8
185.16545	1.1
186.11295	1.2
186.14906	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	185.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83175	3.1
71.15632	7.1
73.02880	4.3
84.08144	14.5
84.91167	7.4
90.98112	3.6
101.00903	20.3
101.95036	50.9
102.00964	44.7
102.94692	4.0
102.96865	10.5
103.00649	6.6
119.01288	3.2
119.01947	34.2
119.96085	15.6
120.02003	100.0
120.97906	7.7
121.01659	9.3
121.99329	4.8
123.52880	3.1
127.12291	4.5
137.02985	8.1
138.03052	17.1
142.01775	4.7
142.03493	5.6
143.03645	24.7
144.03195	6.9
144.05096	16.5
145.00966	8.4
160.98668	5.0
161.03018	7.4
162.03099	15.1
162.04308	3.3
162.06052	5.3
180.04178	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	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26688	0.4
61.62801	0.3
70.73312	0.6
74.67994	0.3
82.99847	6.8
92.31657	0.3
101.00886	61.6
101.95039	0.5
102.01003	0.9
111.00414	0.7
119.01923	100.0
120.02029	1.5
124.02449	4.4
126.03535	0.4
137.02963	13.8
139.23285	0.3
142.03499	25.1
143.01901	0.9
143.03664	0.9
155.58925	0.4
160.04556	3.8
161.02965	14.9
161.04388	0.7
165.05081	0.4
179.04015	13.0
184.04507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1019
Annotation	2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate
Peak:m/z	Relative Intensity
53.03948	2.2
55.01878	21.2
55.05518	7.8
56.96570	2.6
57.03430	2.9
57.07065	3.4
57.75626	1.2
59.04999	1.4
60.57572	1.4
65.03929	2.2
67.05508	52.5
69.03432	7.4
69.07077	7.8
69.74758	7.9
70.06586	1.6
71.04990	7.2
72.08146	1.3
79.05493	15.2
81.07057	45.1
83.04971	1.6
83.08627	2.7
84.08148	2.7
85.06564	6.0
91.05473	5.8
93.07048	10.4
93.50607	1.5
95.04977	16.7
95.08613	23.7
97.06536	13.2
98.20863	2.3
98.98466	11.1
99.04459	7.9
99.08092	2.6
100.97200	1.5
101.95037	2.0
105.03419	7.7
105.07008	1.9
107.08578	5.1
109.06534	8.6
109.10163	100.0
111.04449	5.1
111.08083	2.8
113.05997	4.1
118.96775	3.1
119.08599	12.7
121.06522	1.3
121.10154	7.1
123.04453	3.0
123.08109	8.9
123.11669	3.5
125.05061	2.4
125.06004	47.3
125.09582	1.6
128.04865	2.8
137.09624	74.5
137.13205	1.3
139.07571	1.4
140.14122	1.1
143.07011	3.8
147.08055	2.8
147.11707	1.5
151.05119	2.9
153.09091	3.6
155.08530	2.2
155.10680	5.3
160.05734	2.2
165.09117	40.6
165.12746	3.3
168.09245	2.3
183.06555	1.9
183.07990	1.6
183.10231	31.7
183.11710	5.6
183.13736	2.2
199.91187	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1541
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.01872	1.0
55.05515	4.3
56.96568	0.7
57.03431	1.0
57.07079	2.1
58.02965	23.3
62.63194	0.4
65.03954	0.5
67.05508	13.2
69.07073	46.2
69.74543	1.5
70.06582	1.7
72.08164	0.5
74.06082	1.1
79.05495	4.3
81.07063	14.9
82.06600	0.5
83.04974	1.8
83.08623	4.9
84.04465	0.6
84.08150	7.2
86.06058	1.3
91.02085	0.4
91.05486	3.4
93.07047	7.9
95.04952	1.1
95.08614	5.0
97.06545	2.8
98.06044	2.1
98.09689	1.8
98.97591	3.3
99.97923	1.5
100.07616	5.7
103.02890	0.4
105.07039	9.9
107.08600	12.8
109.06525	1.7
109.10165	35.7
110.09687	0.5
110.10448	0.5
112.07584	2.7
114.08414	0.8
114.09174	11.9
116.98604	1.7
117.98986	0.7
119.08585	1.0
121.10125	1.2
123.11723	5.8
124.11234	0.7
126.09161	12.1
126.12744	1.3
133.10141	23.4
135.11710	13.4
136.07584	0.7
137.13200	0.6
138.12790	15.3
140.10678	0.8
140.14331	0.9
147.11693	4.3
151.11192	9.0
153.12756	10.7
154.15901	0.8
164.11563	0.7
164.13042	0.4
164.14372	2.0
165.12743	2.7
182.15417	100.0
183.15739	1.2
201.32405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.11040	0.3
51.23870	0.3
53.03945	0.6
54.98634	0.3
55.01871	1.0
55.05510	1.0
56.96569	3.7
57.03448	0.4
57.07074	0.3
64.00014	0.3
65.03945	0.8
67.05509	1.9
69.03429	0.6
69.07059	0.9
69.61651	1.1
69.62070	0.6
70.06605	0.9
71.04981	0.6
71.95257	0.8
72.04507	0.4
72.08154	0.4
73.23199	0.3
74.60448	0.3
77.03915	0.3
79.05495	5.0
79.68211	0.3
81.03421	0.5
81.07056	1.3
83.05001	1.5
83.08632	0.5
84.08146	2.4
85.02905	0.4
86.09737	0.3
87.51946	0.3
89.03922	11.6
91.05490	3.0
93.03420	0.6
93.07051	2.3
94.95074	0.3
95.04974	2.2
95.08631	0.6
96.08147	0.3
97.02909	0.5
97.06525	1.2
98.97588	50.0
99.04459	0.5
100.73150	0.4
105.07024	0.7
107.04961	6.3
107.08590	1.9
109.06511	1.3
110.06048	1.1
111.04459	1.7
112.07600	0.4
116.98625	29.0
117.03384	16.3
117.07076	0.4
119.04948	0.9
121.06503	2.1
121.10101	1.5
122.06035	0.4
122.06832	2.1
123.04430	3.4
123.08084	0.8
125.05992	1.4
134.99666	12.0
135.04419	32.9
135.08049	1.9
135.11723	0.9
136.07582	1.4
137.06015	1.5
138.09157	1.0
139.03909	1.0
139.07516	0.5
140.00212	1.7
145.02855	21.1
145.03818	0.7
145.10130	0.5
149.02373	0.5
153.00731	1.1
153.05482	0.3
157.56245	0.3
158.01259	2.2
161.76050	0.3
163.03909	100.0
163.11098	1.6
164.01657	3.3
164.04192	0.8
164.07063	1.2
181.05119	1.4
181.06343	0.4
181.07262	0.2
181.08604	1.3
181.10094	0.4
181.10645	0.4
181.12013	1.4
182.08087	0.4
182.15382	1.0
186.05553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1386
Annotation	Tecomine
Peak:m/z	Relative Intensity
53.03941	0.7
55.05513	2.2
56.05033	0.5
56.96561	1.7
57.07077	0.6
67.05504	2.7
68.02171	0.4
69.03419	0.6
69.07063	1.7
70.06592	0.8
71.04999	0.5
79.05496	4.2
80.05009	0.7
81.07059	8.4
82.06578	3.9
83.08628	0.6
84.08140	1.2
87.89732	0.5
91.05471	2.1
93.07053	7.0
94.06574	1.4
95.04989	0.8
95.08613	6.8
96.04501	0.6
96.08115	1.4
97.06560	1.1
98.06020	0.7
98.09695	1.1
98.20724	1.0
98.97591	5.1
105.07032	1.2
106.06538	1.2
107.08604	10.6
108.04488	0.6
109.06516	0.8
110.06049	55.3
111.06876	2.3
112.07626	2.6
116.98647	2.4
117.07042	0.5
119.08534	0.5
120.08110	0.9
121.06513	4.6
121.10149	5.8
122.06023	1.3
123.06820	24.4
124.07634	2.8
134.05988	0.5
134.09592	0.6
134.99670	0.7
135.08057	2.0
135.11691	3.7
137.08296	0.5
137.13268	0.7
138.09088	0.7
138.12764	1.8
145.10129	2.2
152.07025	0.9
152.14316	0.6
162.05531	0.8
162.09114	1.6
162.12788	0.9
163.11235	3.0
165.07887	0.9
178.44112	0.5
180.03745	1.3
180.06586	1.1
180.10576	2.4
180.13841	100.0
181.12263	0.5
181.14172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01889	3.8
55.05510	10.2
56.96566	1.7
57.03447	7.4
57.07076	2.2
65.03937	2.0
67.05515	39.8
67.05877	2.2
67.88402	1.6
68.32316	1.5
69.03424	4.2
69.07085	8.5
71.04994	4.5
71.25147	3.0
79.05496	23.0
81.07063	77.9
83.04990	9.8
83.08620	2.4
85.06548	5.5
90.87833	1.8
91.05492	33.6
92.05791	3.1
93.07052	36.7
94.07393	1.9
95.04985	9.3
95.08616	66.5
96.08859	2.7
97.06544	17.1
99.08083	5.4
105.07053	40.7
106.07384	6.1
107.08607	24.0
109.06507	8.2
109.10171	10.6
111.08100	3.9
117.07028	3.5
119.04961	5.8
119.08588	55.6
120.08096	1.5
121.06519	5.0
121.10146	18.0
123.04436	2.0
123.08117	9.2
123.11697	4.0
133.06100	3.1
133.10144	35.1
134.10493	4.8
135.08098	1.8
135.11707	29.6
137.06067	1.6
137.07979	2.6
137.09639	8.8
137.13232	2.4
144.08975	2.8
147.04413	4.8
149.08000	1.9
150.08704	6.0
151.11166	2.8
151.13127	2.4
161.05991	3.0
161.09622	5.1
161.13268	88.1
162.10036	3.0
179.03412	63.8
179.06549	3.1
179.09195	1.8
179.10735	8.6
179.12634	25.6
179.14330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.12155	0.8
52.53456	1.0
53.03946	2.6
55.01881	1.8
55.05240	1.0
55.05516	18.4
57.03430	2.4
57.07069	3.5
59.05009	1.3
65.03936	1.5
67.05510	42.3
69.03421	3.3
69.07066	8.8
69.83190	3.5
69.83614	1.9
71.04993	4.1
79.05075	1.5
79.05498	20.1
79.72398	0.9
81.07061	100.0
82.07381	0.9
83.05000	1.3
83.08608	6.1
83.36794	1.0
85.06528	1.7
85.10175	1.0
88.00820	0.9
89.39250	1.0
91.05486	10.5
93.07047	22.3
95.04974	13.5
95.08612	62.8
97.06541	4.5
98.21469	1.9
105.07034	15.3
107.08615	8.2
109.06530	12.3
109.10157	19.2
111.08109	1.1
113.82996	0.9
117.07047	2.2
119.08588	15.2
121.10166	6.9
123.08065	11.9
133.06490	1.1
133.10133	6.3
135.11694	5.1
137.09624	6.3
137.13304	1.2
147.04465	1.2
147.08102	1.3
151.11140	1.2
151.14847	5.4
161.09679	1.2
161.13242	7.2
179.03401	4.0
179.06471	4.1
179.10667	3.8
179.14310	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03941	2.3
55.01889	3.8
55.05510	10.2
56.96566	1.7
57.03447	7.4
57.07076	2.2
65.03937	2.0
67.05515	39.8
67.05877	2.2
67.88402	1.6
68.32316	1.5
69.03424	4.2
69.07085	8.5
71.04994	4.5
71.25147	3.0
79.05496	23.0
81.07063	77.9
83.04990	9.8
83.08620	2.4
85.06548	5.5
90.87833	1.8
91.05492	33.6
92.05791	3.1
93.07052	36.7
94.07393	1.9
95.04985	9.3
95.08616	66.5
96.08859	2.7
97.06544	17.1
99.08083	5.4
105.07053	40.7
106.07384	6.1
107.08607	24.0
109.06507	8.2
109.10171	10.6
111.08100	3.9
117.07028	3.5
119.04961	5.8
119.08588	55.6
120.08096	1.5
121.06519	5.0
121.10146	18.0
123.04436	2.0
123.08117	9.2
123.11697	4.0
133.06100	3.1
133.10144	35.1
134.10493	4.8
135.08098	1.8
135.11707	29.6
137.06067	1.6
137.07979	2.6
137.09639	8.8
137.13232	2.4
144.08975	2.8
147.04413	4.8
149.08000	1.9
150.08704	6.0
151.11166	2.8
151.13127	2.4
161.05991	3.0
161.09622	5.1
161.13268	88.1
162.10036	3.0
179.03412	63.8
179.06549	3.1
179.09195	1.8
179.10735	8.6
179.12634	25.6
179.14330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02376	1.0
53.03941	5.3
55.01670	0.7
55.01875	8.3
55.05514	27.7
57.03442	4.3
57.07061	2.3
63.96713	0.7
65.03925	2.8
67.05508	100.0
69.03412	1.6
69.07072	15.9
69.63035	4.9
71.04992	1.8
73.06532	0.8
77.03888	1.1
79.05495	69.0
81.03425	18.8
81.07059	95.4
83.04984	37.4
83.08154	1.3
83.08620	19.0
85.06532	3.5
91.05486	51.5
93.07044	46.7
93.07649	1.6
95.04968	10.1
95.08611	77.7
97.06534	34.0
97.10175	4.4
98.20775	1.0
99.08089	2.6
105.04536	1.5
105.07039	27.5
107.08601	12.4
108.36269	0.8
109.06510	5.6
109.10155	15.7
111.08072	9.8
111.38639	0.7
113.09641	11.7
113.44835	1.0
117.07021	1.5
119.08586	37.6
121.10148	6.7
123.08060	4.8
123.11669	1.6
131.08580	0.8
133.10133	24.4
135.11690	10.5
137.09613	2.6
137.13391	0.9
159.11653	1.6
161.13264	21.7
179.03404	3.0
179.06352	3.7
179.10767	2.5
179.14316	75.4
180.14627	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.56984	1.0
53.03938	3.3
55.01864	1.7
55.05517	15.1
57.03441	5.4
57.07065	4.1
65.03939	2.8
67.05507	90.6
69.03433	5.9
69.07069	13.9
69.29189	9.2
71.04977	4.9
79.05080	1.3
79.05495	17.4
81.03408	2.5
81.07059	65.2
83.04990	3.3
83.08626	3.7
85.06575	2.2
85.10186	2.8
91.05473	13.4
93.07050	22.5
95.04971	15.9
95.08609	100.0
97.06544	1.7
105.07049	13.5
107.08588	10.8
109.06526	6.0
109.10159	58.3
110.10437	1.3
111.08057	1.3
119.08577	15.7
121.10151	5.2
123.08067	12.0
123.11693	1.6
133.10136	4.6
133.97971	1.1
135.11714	5.3
137.09613	14.8
151.14839	12.8
161.13307	8.0
165.18073	1.1
176.33380	1.2
179.03406	3.4
179.06432	3.6
179.12753	2.3
179.14323	45.3
182.97865	1.3
185.60155	1.1
193.37820	1.1
196.97215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03939	3.1
53.89060	0.8
55.01869	2.9
55.05513	29.0
56.05029	1.8
56.96544	1.0
57.03424	3.7
59.04994	0.9
67.05508	17.9
69.03431	2.3
69.06741	1.0
69.07077	13.3
71.04601	1.2
71.04995	19.8
71.52155	1.5
79.05495	29.3
81.07059	47.0
82.06580	1.1
82.07400	0.8
83.04974	3.5
83.06120	6.6
83.08619	2.7
85.06554	9.4
91.05486	39.1
93.07049	79.4
95.04981	6.1
95.08610	37.8
97.06550	7.2
97.10170	5.2
99.08089	2.3
103.05458	2.2
104.06226	0.9
105.07037	100.0
107.08600	38.1
109.06529	5.7
109.10159	7.3
110.09702	1.0
111.08100	5.1
115.05411	0.9
117.07001	3.6
119.04924	2.8
119.08585	55.0
120.09372	0.9
121.06538	1.9
121.10152	13.8
123.04408	2.1
123.08054	7.8
123.11671	2.4
129.17781	0.9
131.08566	4.3
133.06487	1.9
133.10135	75.8
134.10455	1.0
135.11699	86.0
136.70247	0.8
137.05940	1.5
137.09618	4.8
137.13263	2.6
147.04382	4.3
151.03899	1.1
151.11176	2.0
152.14359	6.7
159.11629	1.1
161.05898	1.5
161.09631	3.9
161.13264	49.9
179.03354	5.5
179.06743	2.5
179.10782	6.3
179.14291	57.2
179.15504	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1068
Annotation	1-Hydroxy-5-phenyl-3-pentanone
Peak:m/z	Relative Intensity
53.03942	1.8
55.01669	0.7
55.01870	7.8
55.05512	9.2
56.96557	1.1
57.03441	0.8
58.63664	0.7
65.03928	3.1
66.54292	0.7
67.05506	8.7
69.03423	5.2
69.07071	7.9
70.13515	1.5
70.13886	3.0
71.04986	2.1
79.05489	14.6
81.03421	1.1
81.07058	41.6
83.04951	1.4
89.68519	0.8
91.05483	37.9
93.07040	10.1
95.04978	10.3
95.08604	3.2
97.06528	2.8
102.16084	1.1
103.05468	1.4
104.06226	3.9
105.07038	36.2
107.04942	1.5
107.08597	6.0
109.05807	1.4
109.06524	21.8
109.10147	2.2
111.04448	2.2
115.05464	1.0
117.07019	2.6
119.04110	1.7
119.04943	23.6
119.05842	1.4
119.08578	3.7
121.06531	1.4
123.04440	16.0
123.08054	2.2
123.11689	3.0
125.05988	3.4
128.06218	3.7
131.08551	2.6
132.05748	3.8
133.06509	1.8
133.10136	30.8
137.05984	68.4
143.08560	9.8
144.02594	1.0
146.07280	3.4
150.06772	3.6
151.11185	2.8
161.06013	1.1
161.09628	19.8
179.03410	3.7
179.06407	3.4
179.10677	100.0
179.14201	2.4
192.68182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	ETHYL BENZOYLFORMATE
Peak:m/z	Relative Intensity
53.03958	3.9
55.01870	1.4
55.05495	0.8
56.96556	0.6
57.03446	15.6
58.77337	0.5
65.37291	0.5
67.05509	2.0
69.03436	0.9
69.07072	0.7
70.06574	0.7
70.11476	0.4
71.05000	0.6
71.51082	0.5
77.03933	1.4
79.05504	21.7
81.03423	1.0
81.07072	3.2
84.08160	1.3
86.09729	0.9
91.05493	7.6
92.07835	0.4
93.07053	4.8
95.04980	5.6
95.08631	2.2
97.06551	0.7
102.35815	0.5
104.01973	0.5
105.03407	100.0
105.07047	6.1
106.03717	0.6
106.06558	0.4
107.05060	0.5
107.08616	4.0
109.02936	0.8
109.06541	1.6
109.10162	1.0
119.04963	2.0
119.08607	3.0
120.08115	1.2
121.06518	1.7
121.10152	2.4
123.04449	20.8
123.08102	1.0
123.11677	0.5
133.06525	2.0
133.10147	7.0
134.06064	0.9
135.08075	0.5
135.11736	1.7
136.06166	0.6
137.05946	2.6
137.09651	1.3
147.03471	0.7
147.04460	3.9
151.03929	0.5
151.07545	0.6
151.11253	1.0
161.06018	1.5
161.09660	3.3
161.13222	2.2
162.09160	0.5
179.03476	3.7
179.07082	24.5
179.10619	9.4
179.14198	3.4
179.15628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	5,7-Dihydroxychromone
Peak:m/z	Relative Intensity
51.36733	0.1
53.03936	0.4
55.01864	0.6
55.05499	0.3
56.96548	0.2
57.03432	0.4
65.03933	0.1
67.01866	0.9
67.05506	1.3
68.99788	2.2
69.03421	0.4
70.06581	0.4
71.01347	0.6
71.04993	0.2
71.52100	0.2
73.02903	0.4
79.05482	0.6
81.03419	0.5
81.07063	1.9
83.04978	0.4
84.08137	0.8
85.02888	0.2
86.09693	0.2
91.01860	0.2
91.05492	1.4
93.07017	0.8
94.06538	0.1
95.01304	0.2
95.04971	1.0
95.08608	0.6
97.02914	0.3
97.06534	0.1
103.05477	0.2
105.03411	0.7
105.07037	4.0
107.04977	0.4
107.08607	0.7
108.04478	0.2
109.02850	0.4
109.06519	0.9
109.10158	0.4
110.07183	0.2
111.04438	1.8
112.07557	0.2
115.03902	0.2
115.05460	0.2
117.07022	0.2
119.04152	0.2
119.04935	0.7
119.08559	0.9
120.08145	0.8
121.02862	0.2
121.06520	0.7
121.10171	0.3
122.09672	0.5
123.04428	1.0
123.08057	0.5
123.11686	0.4
127.03938	0.6
128.06230	0.2
131.08621	0.2
133.02840	1.6
133.04941	0.2
133.06505	1.7
133.10138	2.1
134.05977	0.2
134.09665	0.2
135.08035	0.5
136.06213	0.2
137.02335	1.2
137.05980	0.5
137.09636	0.4
146.07272	0.5
147.03398	0.2
147.04453	0.7
151.03903	0.5
151.11160	0.5
152.07074	0.2
155.03400	1.4
161.02335	1.1
161.05952	0.7
161.09612	2.0
161.13271	0.3
162.05426	0.3
162.09142	0.3
179.03400	100.0
179.10503	1.8
179.12364	0.4
179.14252	0.4
180.03737	0.8
185.22340	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	179.0339
Annotation	Esculetin
Peak:m/z	Relative Intensity
50.28022	0.2
51.24326	0.2
55.05490	0.2
57.56326	0.1
67.01871	1.1
67.05503	0.4
68.99792	2.5
69.03430	0.3
69.07069	0.2
70.39356	0.3
71.01345	0.4
79.05489	0.2
81.03408	0.4
81.07061	0.4
91.01870	0.3
91.05474	0.2
93.07050	0.2
95.01328	0.3
95.04967	0.5
95.08591	0.5
104.75117	0.1
105.03396	0.5
105.07021	0.5
107.08578	0.3
109.02884	0.3
109.06483	0.3
109.10200	0.2
111.04449	1.6
119.08572	0.4
121.10155	0.8
123.04443	0.7
123.08071	0.5
125.02292	0.2
127.03920	0.4
133.02881	1.2
133.10132	0.5
137.02321	1.5
137.13252	0.2
140.19005	0.1
149.55258	0.1
151.03926	0.2
155.03419	1.2
161.02403	0.8
161.13264	0.5
179.03400	100.0
179.14194	0.8
180.03812	0.9
191.61861	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1227
Annotation	4-(Diethylamino)benzaldehyde
Peak:m/z	Relative Intensity
53.03942	0.4
54.87421	0.3
55.05497	0.8
56.96563	0.6
67.05512	2.4
69.03431	2.5
70.06593	0.5
70.98116	1.4
71.09973	0.6
72.12907	0.3
79.05489	3.0
80.05790	0.3
81.07059	7.2
88.02203	0.8
91.05482	4.0
93.07050	4.0
94.06566	2.0
95.04958	0.7
95.08605	0.7
96.04492	2.1
98.06062	0.6
103.05463	0.4
105.07032	5.5
106.06549	0.5
107.04939	0.4
107.08596	2.9
108.08148	2.9
108.08858	0.4
109.10162	0.9
110.06037	9.9
110.09673	1.0
111.04432	0.4
111.65934	0.4
118.03704	0.4
119.04929	2.6
119.08552	1.8
120.08063	0.6
121.05232	0.4
121.06500	0.5
121.08878	0.4
121.10114	0.5
122.05170	0.6
122.06036	9.4
122.09668	0.6
122.10454	0.4
123.06814	11.5
124.07607	0.8
128.06232	0.6
131.07317	0.9
132.05707	1.2
132.08049	0.7
132.08923	0.4
133.06487	0.6
133.10135	5.7
134.06013	6.1
135.02007	0.7
135.06822	0.3
135.10506	0.5
135.11653	1.2
136.07578	7.6
143.08569	1.5
144.02608	1.7
145.08818	0.4
146.07300	0.5
148.07578	10.2
148.11200	0.4
149.08365	5.7
150.05530	0.3
150.09123	1.0
150.12779	3.0
160.11191	1.7
161.09613	2.8
163.03908	3.4
163.09972	0.5
166.59807	0.3
178.12270	100.0
179.03368	0.8
179.12631	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	mephedrone
Peak:m/z	Relative Intensity
53.03936	0.5
55.05525	1.6
63.58482	0.3
65.03939	0.6
67.05512	1.7
69.03430	2.1
69.07063	0.6
78.04700	0.9
79.05510	3.2
81.05791	0.5
81.07059	2.6
82.06599	0.7
91.05491	12.9
92.02608	0.3
93.05777	0.7
93.06493	0.5
93.07059	7.7
94.06562	1.5
95.04972	0.5
96.04498	0.7
103.05484	0.8
104.06265	7.6
105.07042	17.2
105.15193	0.3
106.04246	0.4
106.06590	0.6
106.07856	0.4
107.08605	3.9
108.08130	4.6
109.06495	1.2
110.06058	3.1
110.98060	0.3
111.09795	0.3
115.05446	0.5
117.06996	1.2
118.07841	0.6
119.04956	4.3
119.08577	1.5
120.08174	0.5
121.06499	0.6
121.08887	0.5
122.06033	2.2
122.09657	0.8
123.06834	1.3
124.07590	0.4
128.06265	3.0
129.54259	0.3
130.06546	0.4
131.05006	0.3
131.07378	1.9
131.08563	1.5
132.05725	16.1
132.08063	1.9
133.06500	0.9
133.10149	15.1
134.06017	3.2
135.11687	0.9
136.07593	13.5
136.08435	0.3
143.08582	9.7
145.08904	1.5
146.03215	0.4
146.07286	2.5
148.07594	14.4
149.08385	18.5
150.09102	0.7
150.12752	2.3
151.11205	0.6
160.11147	2.1
161.08313	0.6
161.09647	12.3
178.12285	100.0
179.03365	1.0
179.12631	1.0
181.03532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.05
Annotation	Isalexin
Peak:m/z	Relative Intensity
51.04987	0.2
53.03950	0.9
55.01876	0.5
56.96559	0.7
65.03947	0.2
67.05507	3.3
68.01387	3.4
69.03423	0.3
70.96201	0.6
77.03945	0.5
79.05479	0.6
80.05011	0.7
81.03417	0.4
81.07050	0.3
88.02213	1.1
90.78991	0.2
91.05466	0.6
92.05818	0.4
93.05790	0.4
93.07043	0.4
94.02961	0.3
94.06573	7.0
94.07200	0.3
95.04971	2.9
104.05012	0.3
105.07004	0.7
107.03675	0.4
107.08608	0.3
108.08953	0.5
122.06028	36.7
123.06320	0.5
133.10109	0.5
136.03889	0.5
150.05504	97.2
151.05853	0.9
161.09634	0.3
178.04993	100.0
178.12270	1.5
178.15950	0.7
179.03685	0.3
179.05299	1.0
179.86555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03946	1.1
55.01866	0.7
55.05511	10.0
55.50108	0.5
57.07084	2.0
62.34542	0.4
65.03928	0.6
66.99660	0.4
67.05505	6.9
69.03436	1.0
69.07071	28.6
70.06596	0.5
71.08629	0.6
71.51838	0.4
75.57413	0.4
77.03909	0.5
77.89327	0.4
78.04713	0.6
79.05497	13.9
81.03386	0.4
81.07063	13.5
83.05001	0.5
83.08624	16.0
83.09124	0.8
84.08156	0.5
89.03919	2.2
91.05482	12.1
91.40397	0.4
93.07048	33.2
95.04955	1.6
95.08611	39.7
97.02878	0.9
97.06519	0.6
97.10193	2.4
98.98470	3.7
103.05496	1.0
105.04543	0.4
105.07032	9.9
106.04192	0.5
107.04961	0.9
107.08598	71.1
109.06503	1.9
109.10163	14.2
115.05441	0.9
117.03387	6.1
117.07021	3.6
119.06084	0.7
119.06864	1.5
119.08577	5.0
120.08152	0.5
121.06557	3.9
121.10147	100.0
122.10442	0.7
123.08080	1.0
123.11718	0.8
129.06964	0.5
131.08598	4.0
133.06528	0.9
133.07553	0.7
133.10124	2.4
134.03635	1.0
135.04382	0.6
135.08063	1.4
135.11699	19.0
137.09634	0.5
144.09341	0.7
145.02850	7.4
145.06479	1.8
147.09943	0.5
148.12540	0.5
148.94785	0.4
149.02350	1.3
149.05984	2.5
149.09599	1.9
149.13260	8.5
159.08044	1.1
159.11679	3.4
161.09586	0.4
162.06779	0.6
177.05481	4.9
177.09085	4.9
177.12970	8.2
177.14716	6.8
177.16373	75.5
178.16907	0.4
185.07956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03936	1.9
55.01879	1.4
55.05515	16.5
56.96555	1.3
57.07092	2.2
57.52978	1.2
65.03947	2.3
67.05508	15.7
69.03426	2.2
69.07071	26.2
70.23414	2.9
71.08633	1.5
79.05078	2.4
79.05500	29.6
81.07060	74.7
83.08633	13.4
89.03912	5.9
91.05474	14.4
93.07049	63.0
93.07644	3.0
94.90063	1.5
95.04962	4.7
95.08612	75.9
97.02869	1.5
97.06577	1.8
97.10165	9.4
98.98478	23.0
103.05418	1.6
105.07030	10.8
106.04217	1.5
107.08600	70.9
109.06492	2.3
109.10162	17.1
117.03388	11.8
117.06981	7.5
119.08594	5.9
121.06505	5.1
121.10152	100.0
129.06960	1.2
131.08563	8.1
133.06468	1.5
133.10098	3.9
135.08047	2.9
135.11714	19.3
135.92670	2.8
145.02856	15.5
145.03914	2.2
149.02371	7.0
149.05978	6.6
149.09644	2.8
149.13263	7.2
153.93661	3.8
159.08070	2.3
159.11678	10.1
177.05444	12.1
177.06744	1.8
177.09108	4.6
177.12790	19.0
177.16396	99.2
178.12262	1.6
178.16682	1.2
186.05597	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0913
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
51.02382	0.7
53.03960	3.7
54.47186	0.7
55.01882	10.3
55.05523	4.5
56.96565	0.8
57.03445	1.1
58.83319	0.6
65.03946	2.1
67.05513	13.7
69.03437	27.9
69.07082	3.4
74.32871	0.6
77.03937	1.6
79.05506	22.6
80.06291	1.1
81.03440	1.6
81.07064	16.8
83.01345	1.8
83.04968	1.1
83.08625	1.2
84.08149	1.3
85.10091	0.6
89.03912	4.3
91.05494	44.0
93.07054	48.8
95.04977	7.7
95.08608	6.0
97.02903	100.0
98.98470	4.8
99.04433	0.8
99.10639	0.7
103.05480	5.8
105.04553	1.6
105.07043	23.2
106.04180	1.0
107.04973	8.0
107.08604	13.2
109.02893	1.4
109.06544	6.9
109.10173	1.7
111.04445	6.5
114.21815	0.6
115.05482	3.2
116.06255	9.9
117.03405	6.0
117.06998	3.4
118.06542	1.6
119.06064	0.7
119.06873	1.6
119.08577	3.2
120.08090	0.9
121.02924	1.0
121.06517	69.2
121.10156	31.6
121.11442	0.8
123.03578	1.4
123.04446	20.4
123.08062	0.7
129.07030	7.2
131.08586	50.7
133.06520	11.7
133.10136	4.3
134.03619	0.8
135.04417	2.1
135.08058	4.2
135.11702	4.1
137.05977	2.7
141.07013	1.8
142.06503	0.8
144.05724	2.3
145.02859	9.2
147.04401	1.4
149.02356	2.6
149.06036	5.1
149.09642	30.8
149.11488	1.3
149.13284	1.2
159.08066	13.5
159.11713	3.9
161.05978	0.8
162.06808	4.3
163.18495	0.7
175.07565	3.9
177.05481	6.2
177.09106	21.9
177.12744	8.8
177.14677	7.5
177.16389	8.1
178.12248	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0549
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
57.07070	1.4
63.02382	0.8
71.10448	0.8
78.04719	1.8
79.05502	0.7
89.03925	35.4
91.05482	2.2
91.87833	0.4
93.07059	0.8
98.97591	0.4
98.98481	0.7
103.05486	0.9
106.04189	3.4
106.33331	0.4
107.04939	0.4
107.08578	0.7
117.03388	67.2
118.03745	1.2
120.08097	0.4
121.06511	0.9
121.10178	0.3
124.05188	0.5
131.06950	0.4
131.08598	0.4
134.03641	7.6
135.04417	3.6
145.02855	100.0
146.03206	1.0
149.05994	23.6
149.13326	0.4
158.05988	0.7
162.03146	1.7
163.03938	2.9
177.05482	35.3
177.13957	0.9
186.05457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98621	0.3
56.96572	5.8
57.03190	0.2
63.06652	0.2
68.39570	0.1
69.52357	0.9
71.95274	1.7
72.03802	0.2
72.23969	0.2
84.32109	0.2
94.15447	0.2
94.50175	0.2
98.97592	100.0
99.97939	0.6
113.00873	0.9
116.98629	39.6
130.52568	0.2
131.01894	1.5
134.99670	8.9
135.03183	0.4
136.02448	0.3
138.06422	0.2
140.00255	1.2
153.00851	0.4
154.03473	0.9
158.01221	0.3
158.99640	0.5
177.00774	1.9
177.04207	0.3
195.01704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1072
Annotation	4-Methoxymethyl-2-methylindole
Peak:m/z	Relative Intensity
53.03958	0.4
56.05044	1.3
56.96576	0.7
68.05041	0.2
69.03437	0.2
70.06586	0.5
71.06913	0.2
71.52005	0.3
72.04514	0.8
77.03917	0.4
79.05499	4.3
79.37151	0.2
81.07066	0.2
84.08149	0.3
91.05487	8.9
92.05823	0.3
93.07030	0.3
95.04978	0.4
95.08605	0.2
97.68238	0.2
98.98464	0.3
103.05472	2.6
105.07038	100.0
106.06618	0.5
106.07373	1.3
107.08594	0.2
110.07199	0.3
117.03398	0.5
118.06532	0.5
119.08597	0.3
120.05341	0.2
120.08070	0.7
120.08905	0.5
121.06525	0.4
121.10145	0.4
127.23219	0.2
130.06520	0.7
131.08582	1.0
133.10156	0.2
134.06006	0.8
134.10515	0.4
135.05666	0.3
144.06230	1.2
145.02827	0.5
148.07626	0.4
148.11188	1.3
158.06213	0.2
158.09651	4.0
176.07091	0.9
176.10709	27.3
176.14064	0.6
177.05586	0.3
177.12741	0.3
177.16385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05516	8.7
56.96575	0.5
57.07067	0.9
58.18637	0.5
60.05653	5.1
67.05503	3.0
69.07076	15.2
69.17337	4.7
70.06595	13.6
72.08138	0.6
79.05486	3.4
81.07066	11.5
83.08636	3.7
87.04484	0.6
91.05489	12.4
93.07047	5.4
95.08617	9.0
97.02900	1.0
98.98486	5.4
101.00552	0.5
103.05514	1.1
105.07039	38.9
107.08611	8.3
112.08732	1.1
113.29536	0.5
115.04016	0.6
115.05450	3.5
116.07082	4.6
117.07032	3.8
119.08589	73.0
120.08159	0.6
120.08939	0.6
121.10167	1.8
125.02343	0.7
129.07024	1.5
130.06609	0.5
130.09782	1.6
131.08571	5.5
132.05707	1.2
132.06790	0.6
132.09387	0.7
133.10141	56.3
143.04927	1.1
144.05725	1.1
145.10155	5.0
146.09796	0.4
146.10918	2.0
147.04436	2.0
147.08044	2.4
147.11697	12.1
148.11194	0.7
157.10103	0.5
158.09328	1.2
160.05217	6.2
160.12509	1.9
161.70105	0.4
173.13290	1.6
175.07549	10.5
175.12036	4.7
175.14839	100.0
176.10730	0.6
176.15207	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03944	0.8
55.05265	0.8
55.05516	8.0
57.07089	0.9
57.20834	0.5
60.05650	2.0
67.05527	0.9
68.77592	0.4
69.07075	20.2
70.06607	4.4
71.36587	0.9
79.05511	2.5
81.07066	4.8
83.04984	0.8
83.08627	3.7
91.05488	6.8
92.05810	0.5
93.07025	2.7
95.08619	4.0
98.98480	1.5
105.07043	20.2
107.08646	3.8
115.05458	0.6
116.07127	1.5
116.12720	0.4
117.07037	1.9
119.08595	75.6
119.32566	0.4
121.10155	1.6
122.75109	0.4
131.08572	3.0
133.10146	60.6
134.10497	0.6
135.11699	1.1
135.18709	0.5
136.32115	0.4
141.91612	0.5
145.10135	6.6
146.10956	0.7
147.11705	8.9
159.11731	0.8
160.05237	0.7
160.12529	2.4
162.68643	0.4
173.13254	2.2
175.07574	1.3
175.14844	100.0
176.15179	1.7
184.59843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.05512	7.3
56.96569	0.9
57.03428	0.6
57.07072	2.1
60.05654	3.4
67.05521	2.8
69.03445	1.2
69.07072	19.0
69.15430	3.9
69.15855	1.4
70.06596	9.6
71.79549	0.5
74.47206	0.5
79.05500	3.2
81.03424	0.6
81.07057	5.9
83.08624	4.2
91.05484	10.9
93.07038	3.5
95.04979	0.6
95.08626	4.8
97.02902	1.6
98.23847	0.5
98.98470	7.1
103.05449	1.4
105.07034	23.9
105.31339	0.5
106.06557	0.5
106.07290	0.6
107.08580	5.4
112.08712	0.6
115.05466	0.5
116.07114	2.3
117.07020	3.7
118.07775	0.6
119.08587	76.2
121.10165	2.5
127.03910	0.8
128.06250	0.6
129.07005	1.9
130.06609	0.6
130.09758	1.5
131.08574	4.3
132.05763	0.7
132.09317	0.6
133.10136	61.2
134.06044	1.3
135.11717	0.5
139.03908	1.0
142.07762	1.0
142.56662	0.7
145.10121	5.2
146.10898	1.3
147.04465	0.6
147.08064	2.8
147.11687	11.4
148.11192	0.5
151.57152	0.6
157.10133	1.7
157.17883	1.2
158.09222	0.6
159.11609	0.7
160.12434	3.3
173.13251	1.5
175.03879	0.6
175.07500	4.4
175.11301	4.4
175.14830	100.0
175.18886	6.2
176.10764	1.7
176.15158	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	L-Arginine
Peak:m/z	Relative Intensity
56.96571	1.0
60.05650	39.3
70.06593	100.0
71.05000	1.3
71.12418	0.6
71.12740	0.7
72.08150	5.6
96.08530	0.5
96.35947	0.6
98.06058	0.7
101.00874	0.8
112.08749	3.7
114.10278	0.9
115.08706	1.9
116.07094	32.7
124.43056	0.5
130.08804	0.5
130.09761	13.5
133.03513	0.9
137.17039	0.5
146.29948	0.5
157.10870	2.7
158.09245	10.1
175.04494	0.9
175.11903	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	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03941	1.1
55.05513	7.4
57.28025	0.6
60.05649	3.0
60.95850	0.8
67.05498	2.1
69.07079	19.0
70.06611	6.4
70.20059	1.4
70.20451	1.5
72.08185	0.8
75.86230	0.8
79.05505	2.6
81.07068	7.5
83.08629	4.1
91.05499	7.8
93.07048	3.9
95.08607	5.2
97.02921	0.9
98.80737	0.7
98.98485	3.1
105.07047	23.1
107.08582	5.2
116.07119	2.7
117.07030	2.5
119.08600	74.9
121.10161	2.5
129.06992	0.7
130.09798	0.6
131.08607	4.6
133.10149	66.1
142.07858	0.7
145.10153	4.5
146.10913	1.1
147.08069	1.0
147.11716	10.1
151.56516	0.8
152.05873	1.9
152.81737	0.7
157.10114	1.1
160.12518	2.5
161.06413	1.4
173.13281	2.6
175.07507	1.2
175.11618	2.7
175.14850	100.0
176.15134	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.05490	2.3
56.96564	4.1
57.03439	100.0
60.05617	2.1
69.03440	1.5
70.06593	6.1
70.40412	0.9
70.95181	2.0
79.05470	2.7
81.07045	2.4
85.17458	0.8
87.04487	1.0
91.05484	9.5
92.90452	0.9
93.07025	1.9
95.08596	2.0
97.02892	1.7
98.98469	19.9
102.59705	0.8
105.07038	9.8
110.19753	0.8
115.03896	1.4
116.07101	1.3
116.97237	0.9
117.07016	4.0
118.07755	0.7
119.08587	49.1
127.03873	1.3
129.06978	2.1
131.08522	2.4
133.06470	1.8
133.10132	9.7
133.92981	2.1
142.07761	2.7
143.05386	2.2
145.10086	1.1
146.07227	1.9
147.08049	3.6
147.11720	5.3
151.93961	1.9
152.05916	2.8
157.04199	1.1
157.10083	2.8
158.09314	0.9
175.07487	1.5
175.11159	33.5
175.14789	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	174.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85254	0.4
55.05513	7.1
57.07059	0.7
58.06319	1.0
58.06602	19.5
67.05492	0.5
69.07069	26.0
71.29723	1.1
72.08133	0.8
75.50742	0.4
79.35477	0.5
85.10171	0.5
91.78049	0.5
101.00460	0.5
118.96223	0.4
125.22810	0.5
135.72981	0.4
140.86383	0.5
148.78406	0.4
156.17487	28.7
174.18542	100.0
175.18904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49229	0.3
55.05505	0.8
56.96561	0.8
57.03445	0.5
57.07079	14.3
58.06601	3.2
60.04519	1.5
60.05661	0.5
62.06096	12.7
69.03440	0.6
69.07062	1.2
69.23146	3.7
70.06593	1.6
70.98131	0.7
71.08636	11.3
84.04498	1.0
89.66206	0.4
91.05460	0.5
96.04477	0.9
97.02898	3.3
98.98495	0.5
105.07002	0.3
114.05525	1.5
115.03888	0.8
119.08603	0.8
132.08095	0.7
133.10147	0.8
137.05975	0.8
151.07005	0.6
156.17490	12.6
174.05479	0.6
174.07639	3.0
174.18544	100.0
175.14854	0.8
175.18866	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.35868	1.0
55.01866	1.3
55.05503	2.3
56.42525	1.1
56.96555	1.2
57.03441	100.0
57.63628	1.0
60.05633	4.8
66.78168	1.0
67.05489	3.5
69.03423	2.9
69.07066	2.5
70.06264	1.0
70.06599	12.5
74.98227	1.1
76.51853	1.0
79.05468	3.0
81.07068	6.6
87.04436	1.2
91.05486	18.6
92.53464	1.2
92.90442	1.3
93.07020	3.8
95.04955	1.6
95.08596	2.7
95.15704	1.0
97.02866	3.5
98.97881	1.6
98.98470	22.5
103.05473	1.1
105.03376	1.3
105.07037	42.8
107.04964	1.4
107.08561	2.8
115.05411	1.3
116.07077	3.2
117.07024	7.3
119.08588	75.5
129.07021	6.3
130.09726	1.7
131.08578	7.1
133.06445	1.7
133.10135	19.6
133.92967	1.6
142.07790	18.2
145.06355	1.1
145.10077	2.4
146.07259	3.0
147.08069	8.2
147.11687	10.2
151.94005	3.0
157.07802	1.0
157.08995	1.4
157.10144	21.8
160.08789	1.3
175.03802	1.2
175.06137	2.2
175.07558	6.7
175.11160	59.1
175.14813	21.2
175.18814	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1491
Annotation	(+)-Muscarine
Peak:m/z	Relative Intensity
52.17820	0.2
55.01875	0.2
55.05515	1.1
56.96566	0.2
57.03425	0.2
58.06609	1.0
60.04527	5.2
60.05640	0.7
62.86636	0.2
67.05189	0.4
67.05510	5.7
68.05006	0.3
69.03436	1.4
69.07069	1.1
69.07387	0.2
70.06595	4.0
70.95873	1.3
71.04998	1.8
71.20193	0.4
72.04537	0.2
72.93803	0.9
78.92760	0.2
79.05466	0.5
81.07060	1.9
82.06585	0.4
83.04968	0.2
84.04474	0.3
84.08144	4.2
85.02904	0.3
85.06539	0.6
90.94810	0.3
91.05457	0.4
95.08595	0.3
96.04490	0.4
96.08122	0.5
97.02887	0.8
98.09697	19.9
101.06010	0.2
102.13732	0.2
104.06300	0.2
109.09610	0.2
109.10186	2.4
110.09647	0.3
111.98490	1.4
112.04762	0.3
112.07633	0.6
112.11242	0.8
114.05526	0.5
115.03935	0.3
116.07107	0.4
116.82954	0.2
116.93107	0.2
124.11223	0.3
125.09652	0.2
127.11179	0.8
129.99518	0.5
130.12277	0.4
132.08006	0.2
132.95848	3.4
138.12776	0.6
139.04037	0.2
143.60365	0.2
146.06029	0.3
150.96904	2.5
155.97411	1.5
156.13844	3.0
173.98486	1.4
174.07599	1.0
174.14903	100.0
175.11983	0.4
175.15254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.02372	1.2
53.03936	4.7
55.05523	5.8
57.63454	0.9
58.06603	1.2
59.04990	1.1
60.04521	1.9
65.03925	2.2
65.07471	1.1
67.05517	5.2
70.06580	4.1
70.27494	4.4
72.93813	5.0
72.94157	0.9
79.05507	10.8
81.07064	7.2
83.04986	5.8
86.09704	2.6
87.75690	1.1
90.94827	3.1
91.05486	37.9
93.07044	4.8
101.06013	4.1
101.07172	1.6
103.05479	2.6
105.07034	34.9
110.09693	1.3
111.04458	5.5
115.05487	7.6
116.06248	10.3
117.07027	17.8
119.08585	32.5
128.06248	12.1
128.10750	2.5
129.06073	1.0
129.07019	37.9
130.07811	12.1
131.08578	74.9
133.10120	12.4
141.07016	2.4
142.07777	4.5
143.08571	95.5
144.09363	17.1
145.10136	35.1
145.37740	1.0
146.06030	1.3
149.96143	2.8
155.07083	3.5
156.09320	4.1
157.10168	4.5
158.10925	71.4
167.86066	1.2
167.97084	1.0
171.11734	2.5
173.08128	6.9
173.13275	100.0
174.18643	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03953	0.4
55.05513	3.9
57.03438	0.5
57.07073	1.0
58.07412	0.4
58.66930	0.3
59.05002	0.8
62.87449	0.4
67.05506	3.7
69.50379	0.7
69.50790	1.7
70.06622	0.3
72.93782	1.5
74.06075	0.4
76.02245	0.8
79.05492	1.3
81.03385	0.4
81.07062	1.7
83.04978	4.5
84.08167	0.5
85.06547	0.4
87.04465	0.6
88.07625	1.4
89.07969	0.6
90.90390	4.0
90.94828	2.1
91.05483	6.9
93.07022	0.6
99.04447	0.5
101.06020	4.2
103.03307	1.1
103.05463	0.4
103.09491	0.5
105.03381	0.5
105.07034	7.4
108.95877	0.4
109.10146	1.6
111.04443	6.2
113.06003	0.5
113.96416	0.4
115.05478	1.4
116.06237	1.6
117.07011	4.5
119.08585	9.8
127.07580	0.5
128.06233	1.2
129.05562	1.6
129.07016	6.2
130.07846	2.5
131.08569	53.7
131.93016	2.1
132.08896	0.6
133.10103	1.8
141.07024	0.4
142.07765	0.8
143.08566	16.1
144.09358	4.8
145.06502	0.9
145.10130	18.7
146.10458	0.6
149.94069	4.2
149.96069	0.6
155.07033	3.8
155.08533	1.3
156.04361	0.5
156.09317	1.1
157.10147	1.1
158.07346	1.6
158.10916	29.1
159.11543	0.7
167.97153	0.9
171.11694	1.2
172.95686	0.9
173.08217	7.8
173.09679	5.5
173.13264	100.0
173.17291	6.3
174.12581	0.4
174.13713	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05518	1.4
56.96568	2.8
57.07073	0.9
62.86341	0.3
67.05499	2.4
69.03444	0.3
69.07050	0.7
70.70396	0.7
70.70735	0.4
72.93771	0.4
79.05489	2.0
81.07049	3.8
83.04971	1.3
91.05480	7.4
93.07050	2.2
95.04988	0.3
95.08598	1.0
98.97578	0.6
101.02508	0.3
101.06023	0.9
103.03259	0.4
103.05435	0.5
105.07028	7.3
105.07703	0.5
107.08592	0.9
111.04447	1.8
114.05195	0.8
115.05459	1.2
116.06233	1.5
117.07018	6.0
119.08582	9.9
123.05702	0.3
127.05981	0.3
128.06216	1.0
129.07002	5.6
130.07808	1.6
131.08566	45.8
132.05196	0.5
132.08894	0.5
133.05898	0.3
133.10152	2.1
136.06438	0.4
138.27808	0.3
141.05669	1.3
141.06749	0.4
142.06464	3.5
142.07748	0.9
143.08562	14.5
144.09346	6.1
145.10121	22.5
150.06177	2.0
151.06981	6.0
155.07060	0.7
156.09299	0.9
157.10138	1.0
158.10912	28.4
159.06696	0.3
159.11206	0.4
160.07468	1.0
162.01866	0.3
162.57748	0.4
171.11708	1.9
173.08301	1.7
173.13257	100.0
174.13567	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1174
Annotation	(2E)-9-hydroxynon-2-enoic acid
Peak:m/z	Relative Intensity
55.05512	20.1
56.96567	0.8
57.03442	3.4
57.07079	3.3
59.05005	11.1
65.03940	1.8
67.05508	100.0
69.07063	2.2
69.41529	5.2
70.06596	0.8
71.04982	2.7
72.93796	5.2
76.02247	1.6
79.05513	1.3
81.07058	14.2
83.04978	9.1
83.08624	8.7
84.04485	0.7
84.08144	0.8
85.06554	3.1
87.04471	0.9
89.02417	0.8
89.68443	0.6
90.90386	8.5
90.94830	5.6
91.05498	7.3
93.07063	3.0
95.08615	4.0
99.04433	1.1
99.08060	0.8
100.11277	1.2
101.06023	5.6
103.03300	2.0
105.07059	3.0
107.08629	1.2
108.95882	1.1
109.10162	78.0
110.10489	0.9
111.04451	12.9
111.08101	2.4
113.06013	1.6
113.96436	1.0
114.05547	1.0
117.07046	3.0
119.08605	6.8
127.07581	2.1
129.05502	2.8
129.07027	1.6
130.07816	1.7
131.08586	13.9
131.92964	3.3
132.08127	1.0
137.09653	1.8
143.08614	3.1
145.06522	1.3
145.10156	7.5
149.94069	6.4
149.96129	2.3
150.06218	1.6
155.03477	0.8
155.07050	8.9
155.08333	1.2
155.10693	2.0
158.07295	1.1
158.10919	5.2
167.97174	1.3
169.95529	0.6
172.95618	1.0
173.04669	1.0
173.05956	1.7
173.08249	17.0
173.09724	3.9
173.11787	7.3
173.13321	19.8
174.12856	2.2
174.18607	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44500	0.3
52.10035	0.3
53.06639	0.3
55.05501	0.6
58.06595	0.9
61.13288	0.2
67.05185	0.3
67.05500	1.7
69.06735	0.3
69.07070	3.2
69.61221	1.5
71.04995	2.0
81.07043	0.4
83.08625	2.1
84.08141	0.3
85.17923	0.2
91.84573	0.2
95.02415	0.2
106.16031	0.3
109.10164	6.9
126.09173	0.4
127.11227	0.9
172.16974	100.0
173.17296	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1174
Annotation	(2E)-9-hydroxynon-2-enoic acid
Peak:m/z	Relative Intensity
50.48455	0.8
50.73007	0.7
51.49583	0.7
55.05511	19.1
56.96561	1.7
57.03419	3.2
57.07074	2.1
59.05006	5.1
65.03912	1.6
67.05509	100.0
69.03421	1.3
69.07062	2.3
69.56922	5.1
71.04991	2.1
71.06126	0.8
71.06983	0.7
72.93347	0.7
72.93787	5.2
76.02193	1.1
79.05487	2.1
81.07058	15.8
83.04989	8.7
83.08622	7.2
84.08139	0.9
85.06522	3.6
89.02372	1.4
90.90378	5.5
90.94839	4.7
91.05478	9.6
93.07007	3.0
95.04948	1.1
95.08617	4.9
98.20789	1.7
99.04457	1.4
101.06030	7.8
103.03262	2.2
105.07066	4.4
107.08575	1.6
109.10162	77.2
110.10509	1.6
111.04453	15.2
111.08067	1.5
113.05978	1.1
113.96366	1.4
115.05483	1.1
116.06214	0.8
117.06987	4.3
118.06555	1.6
119.08603	7.7
125.80837	0.8
127.07465	1.6
129.05510	3.9
129.06982	3.6
130.07788	1.9
131.08580	38.2
131.92955	2.6
137.09592	3.0
143.08562	4.7
144.09369	1.3
145.06435	1.9
145.10130	9.8
149.94096	5.6
149.96071	2.5
155.03432	1.1
155.07060	10.8
155.10612	1.8
158.07292	1.8
158.10953	6.0
167.97151	2.7
171.11612	1.1
172.95595	1.1
173.04536	1.1
173.05856	1.7
173.08148	18.1
173.09650	4.2
173.11720	7.5
173.13234	41.3
174.61247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.0
56.05031	0.5
56.96558	0.5
58.06309	0.6
58.06599	11.9
63.51368	0.3
66.09252	0.3
67.05508	6.4
69.07066	0.9
69.87869	1.4
70.06593	1.9
71.04995	4.2
76.02396	0.3
81.07051	1.0
83.08621	0.5
83.85292	0.3
84.08144	2.8
85.06557	0.6
96.08139	1.0
97.06535	0.4
98.09702	5.5
98.97598	1.3
109.10150	1.9
112.11246	7.7
114.09214	0.4
116.98592	0.5
127.11169	0.8
128.14352	1.4
135.47704	0.3
150.81277	0.3
154.15941	2.2
172.13344	29.3
172.16974	100.0
173.13776	0.7
173.17299	1.7
187.00322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29702	0.2
55.01247	0.3
56.96562	0.6
58.06314	0.4
58.06602	8.3
59.20048	0.2
67.05494	0.4
69.03426	0.7
70.77496	0.3
71.08278	0.3
81.07033	0.7
84.08144	0.5
95.06074	0.4
96.06882	3.0
97.07654	0.8
98.97606	0.6
99.64245	0.3
107.08620	0.6
109.07635	1.0
124.07639	0.4
125.07133	1.5
125.09657	0.8
126.10290	0.3
128.14366	2.1
134.06039	0.8
145.03487	0.3
152.07074	1.9
170.09274	1.1
170.15413	100.0
171.07652	2.5
171.15729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.154
Annotation	Lupinine
Peak:m/z	Relative Intensity
55.05505	0.4
58.06316	0.6
58.06600	10.4
59.23301	0.4
67.05496	0.9
69.03426	0.5
69.74703	1.4
78.96326	0.3
81.07050	0.6
107.08562	0.6
110.09702	0.3
120.75381	0.3
125.09631	0.8
128.14374	2.6
134.06035	0.3
152.07076	1.2
169.32237	0.3
170.15407	100.0
171.15834	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.4
56.96559	0.9
58.06316	0.5
58.06600	10.1
67.05504	0.5
69.74040	1.5
79.05483	0.5
81.07047	0.8
84.08184	0.5
98.97604	0.5
106.96426	0.3
107.08605	0.5
110.07159	0.3
124.07635	0.4
125.09655	0.7
128.14368	2.1
134.06009	2.3
152.07077	4.0
170.08180	0.7
170.15407	100.0
171.15762	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
56.05023	0.2
59.28435	0.2
65.38705	0.2
67.05512	1.3
68.05026	0.5
69.07077	0.4
70.06597	100.0
70.55565	0.4
71.06921	0.4
79.05489	0.8
81.07061	3.0
82.94845	0.3
83.04946	0.2
84.08150	1.1
89.34618	0.2
91.05494	2.1
93.07037	0.4
94.06567	0.5
95.04981	0.4
95.08614	0.4
97.10271	0.2
98.06039	0.2
105.07005	0.3
107.08572	0.3
109.02865	0.3
109.06522	0.6
109.10191	0.2
112.07657	0.2
120.05352	0.2
122.03226	0.6
122.06053	1.4
122.09669	0.2
123.04446	0.4
123.11691	0.9
123.97498	0.3
126.05493	0.2
140.07069	0.3
144.94740	0.2
150.05466	1.0
150.12729	0.3
151.03902	0.9
151.11198	0.8
168.06497	0.9
168.10158	0.3
168.13849	7.4
184.95558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1021
Annotation	(-)-Sympatol
Peak:m/z	Relative Intensity
55.01877	2.7
55.05563	0.4
66.47240	0.3
67.05527	0.8
67.93572	0.5
68.74100	0.4
69.06740	0.3
69.07101	1.4
69.36279	3.0
70.06624	0.9
70.07427	0.3
79.05492	1.7
80.05048	0.8
80.05862	0.8
81.03455	0.4
81.05833	0.5
81.07062	1.7
82.06601	0.7
84.08176	0.9
91.05505	0.5
92.05838	0.5
92.64988	0.3
93.07056	1.8
94.06574	3.7
94.07372	2.2
95.08606	2.3
97.06555	0.7
98.06870	0.5
98.21480	0.5
105.07029	2.6
106.06570	1.4
107.07346	12.9
107.08536	0.7
109.02947	0.4
109.06538	1.2
110.06865	1.1
111.08062	0.4
112.08437	0.5
120.08131	0.7
121.08936	1.8
122.06077	1.9
122.06821	0.5
122.09683	15.7
122.10502	2.0
123.08121	0.7
135.06812	5.4
140.95203	0.4
150.09146	100.0
151.09494	1.1
152.38333	0.4
157.61549	0.3
168.06493	0.9
168.10193	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.01870	4.5
55.05521	5.1
56.58414	3.7
56.96570	58.9
60.95852	5.9
62.26941	3.7
67.05495	11.1
67.92507	19.9
69.03429	7.2
70.06593	19.3
71.50937	7.1
72.64413	3.9
73.02905	4.6
74.97616	7.7
79.05445	5.2
79.35816	3.5
81.03419	5.9
81.07045	4.3
82.94852	53.5
84.01584	3.5
84.04624	3.1
84.08140	29.2
85.02902	12.7
85.93531	7.1
91.05478	6.4
91.22865	3.6
93.01971	6.1
94.06576	32.2
95.89718	3.4
96.04493	6.3
96.08129	4.6
97.02886	15.1
97.06526	4.4
98.97593	8.6
101.55666	4.0
103.98345	5.5
104.00920	4.6
106.06536	5.2
121.99364	7.6
122.06059	30.4
123.04454	4.8
123.08015	5.2
123.97450	34.8
124.07599	4.1
126.05510	5.7
126.09138	14.5
126.93775	9.1
127.00679	18.6
130.99986	15.3
136.05226	4.8
140.07103	5.6
144.94815	32.3
144.98145	7.2
145.00769	7.9
145.01845	27.7
145.03542	5.1
149.01033	19.7
150.04332	6.4
150.05511	100.0
150.06682	5.3
151.07518	14.2
151.08615	6.3
156.03355	43.5
156.04535	6.8
159.07932	5.0
162.95859	22.2
163.02930	10.6
167.02043	10.9
167.96449	11.4
167.99722	5.6
168.06572	83.2
168.10158	11.7
168.13858	24.6
174.04416	27.8
185.97479	6.3
186.00749	9.2
186.04399	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	168.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87285	0.3
56.59280	0.4
56.96564	0.9
59.05565	0.4
70.65093	0.6
70.65453	0.6
73.02925	0.7
85.02879	0.4
85.97293	9.9
86.80863	0.3
97.02895	1.0
103.00629	1.1
103.98335	40.5
104.98408	0.5
111.45744	0.4
113.97920	1.1
115.01218	0.6
119.01891	0.4
121.01676	2.7
121.99374	73.3
122.02023	1.2
122.99463	0.9
126.99909	5.9
127.02457	0.7
140.00409	22.4
144.03264	1.7
145.00955	100.0
146.01028	1.2
149.01247	0.8
156.03618	0.5
163.02011	66.9
163.68272	0.4
164.02141	0.6
168.02577	2.2
168.05133	0.4
186.03641	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03938	2.3
55.01871	1.8
55.05518	4.1
57.03437	4.4
57.07060	0.8
57.68929	0.7
58.80422	0.7
59.05031	0.7
65.03962	1.2
67.05511	5.0
69.03428	1.2
69.07065	10.3
70.97269	0.8
71.04974	2.3
73.02921	1.0
77.03928	1.4
79.05492	26.4
81.07056	29.0
83.04975	3.0
83.08604	0.9
91.05483	13.3
93.07045	100.0
93.64005	0.7
95.04981	6.0
95.08611	9.0
97.06529	17.7
99.04446	1.0
105.04504	1.0
105.07037	9.1
106.07772	0.8
107.04959	1.4
107.08595	13.3
109.06517	39.4
111.04487	1.4
111.08083	24.0
114.67662	0.6
114.98215	0.6
119.08615	1.5
121.06505	2.4
121.10143	68.5
122.10480	1.3
123.08063	3.0
123.11707	7.0
125.05997	3.6
131.08557	5.8
137.09668	4.0
139.11200	7.8
149.09622	55.1
167.10678	24.1
167.12091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03954	3.3
55.01876	1.6
55.05518	9.1
56.96562	1.1
57.07095	1.4
58.80691	0.6
59.05009	2.8
65.03963	0.7
67.05507	4.0
69.03438	2.3
69.07076	36.0
69.29076	3.9
69.29472	1.4
70.06599	0.9
79.05501	17.6
81.03456	0.6
81.07066	11.8
83.04990	2.7
83.08626	2.0
84.08117	0.7
86.51617	0.6
91.05486	10.3
93.07053	72.0
94.07394	0.6
95.04984	1.9
95.08618	11.4
97.06538	7.2
97.10151	1.1
103.00646	0.8
103.05498	2.0
105.04562	0.7
105.07040	17.8
106.07822	1.4
107.08604	4.1
109.06557	1.7
109.10164	1.7
111.08073	0.9
111.11728	6.8
119.08594	3.0
121.01697	1.9
121.10155	100.0
122.10478	1.2
123.08096	3.6
123.11687	0.8
125.09648	1.0
125.95409	0.6
125.96415	0.7
131.08568	1.2
133.07635	2.1
139.11176	5.4
144.03217	1.3
149.02373	1.0
149.09627	16.1
149.10765	1.3
149.13254	0.9
159.35080	0.7
163.03893	1.1
167.03413	0.8
167.07021	1.3
167.10689	42.2
167.15485	1.9
168.11012	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02380	1.3
53.03947	3.3
55.01879	2.5
55.05508	6.8
57.03444	3.4
57.07087	1.2
59.05009	2.0
61.56342	0.7
65.03938	1.2
66.75932	1.0
67.05519	6.9
68.70747	0.7
69.03425	3.9
69.07072	22.1
69.46626	0.7
69.95109	0.7
70.06583	0.7
71.05003	2.6
71.52196	0.7
75.04491	0.8
79.05495	26.7
81.07057	18.3
83.04977	4.1
83.08611	1.7
84.08157	1.8
91.05489	15.3
93.07047	100.0
94.06592	0.8
94.07368	1.3
95.04965	7.8
95.08611	11.4
97.06537	16.8
97.10151	1.1
98.98480	1.5
103.00614	0.7
103.05441	1.3
105.03401	3.1
105.04519	1.8
105.07034	13.6
107.04973	2.9
107.07412	3.8
107.08591	14.5
108.05810	0.8
109.06524	32.2
109.07274	1.6
109.10156	1.8
111.04439	1.9
111.08088	20.0
111.11735	3.6
119.08579	2.5
121.01654	1.6
121.06516	5.9
121.08463	2.3
121.10149	67.2
122.06021	1.1
122.09712	3.6
122.10451	1.3
123.04404	1.2
123.08063	4.1
123.11675	1.8
124.05229	2.2
125.06000	4.0
125.09663	1.6
131.08575	3.9
133.07642	1.1
135.04446	1.2
135.06729	0.9
137.09627	2.0
139.03888	0.7
139.07521	6.6
139.11200	5.6
144.03305	0.9
149.02324	3.0
149.05971	2.2
149.09630	44.5
150.05553	1.0
150.09137	24.8
167.03394	1.4
167.07045	5.2
167.08455	1.6
167.10681	31.5
167.14246	1.1
167.15486	1.6
167.77324	0.7
168.10202	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	166.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90372	0.4
53.03944	1.1
53.44194	0.4
55.05516	5.0
56.05035	1.6
56.96553	0.6
65.03952	0.5
67.05499	2.0
68.05038	2.6
69.03432	27.6
69.07071	2.3
69.94907	1.5
69.95315	0.8
70.06596	19.4
77.77427	0.5
79.05500	10.3
79.27568	0.5
80.05027	1.4
81.07059	41.8
82.06586	1.0
82.07396	0.6
83.08617	0.7
83.93044	1.1
84.04494	2.0
84.08137	2.6
84.20723	0.4
86.06071	36.4
91.05459	1.0
92.05798	0.4
93.07051	1.2
94.06577	1.5
96.08138	20.5
98.06059	100.0
98.09701	1.3
99.06405	0.6
102.02224	0.6
102.45808	0.4
103.05477	0.7
107.04915	0.4
107.08576	0.8
110.06067	0.6
112.07611	19.8
112.86974	0.5
115.96471	0.5
116.97224	0.5
119.01924	0.6
120.02028	1.4
120.05283	1.2
120.08115	6.6
121.06529	1.9
124.07595	70.1
125.07914	0.8
131.54245	0.4
136.07571	1.0
137.08368	0.8
142.96709	4.7
143.03659	1.9
148.04755	1.8
148.11220	1.4
165.98294	0.5
166.04955	1.4
166.08586	3.9
166.12277	23.1
167.12665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.02380	0.2
70.69185	0.4
79.05489	1.0
91.05492	0.7
93.07060	1.8
95.04955	0.2
103.05476	8.5
107.04990	1.6
114.73473	0.2
120.08114	100.0
121.08456	1.5
131.04936	2.2
149.05997	0.8
166.08667	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	165.1276
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03961	0.4
53.66519	0.3
55.01873	0.5
55.05516	4.5
56.96571	0.4
57.02409	0.3
57.03422	0.4
59.04980	0.4
65.03934	0.7
67.05511	5.6
69.03436	1.7
69.07073	3.1
70.05089	1.6
71.05003	0.7
72.99612	0.4
79.05496	2.8
81.03424	1.7
81.07063	7.1
83.04986	1.8
83.08630	3.3
83.93039	0.8
91.05489	8.4
93.07047	4.0
95.04975	100.0
95.08612	5.4
96.05309	0.8
101.00892	4.5
101.02593	0.7
105.07031	7.0
107.04952	1.2
107.08601	9.7
109.06526	22.0
109.10159	5.0
119.01074	0.6
119.01929	11.3
119.04948	12.7
119.08598	6.6
120.08090	1.1
121.00443	0.4
121.10165	4.4
122.07300	0.8
123.04401	1.0
123.08078	1.5
123.11703	1.7
124.02468	1.4
135.04453	0.5
137.02985	2.2
137.06000	0.5
137.09628	6.4
137.13258	1.4
142.03508	10.1
142.96719	1.8
147.04420	31.3
147.08026	1.3
147.11693	11.1
148.04762	0.5
160.04599	2.9
165.05397	1.5
165.09114	13.1
165.12762	66.6
166.08629	0.6
166.13152	0.8
174.71149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03955	0.2
55.30806	0.2
55.53265	0.2
56.67624	0.2
65.03928	1.1
69.71210	0.3
69.71619	0.9
72.45130	0.2
82.99868	0.3
91.05491	18.4
93.07042	0.3
95.04991	1.8
97.12319	0.2
98.20844	0.4
101.00900	1.6
117.35739	0.2
119.01968	2.0
119.04953	42.3
120.05236	0.5
120.08086	0.4
123.04436	1.6
137.09616	0.4
142.03513	1.9
147.04422	100.0
148.04770	1.1
160.04593	0.3
165.05510	2.1
165.09125	0.6
178.03421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.055
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
52.28553	0.2
53.03952	0.2
53.95906	0.2
56.96585	0.2
65.03933	1.0
65.62128	0.2
66.67519	0.2
69.06388	0.2
69.18603	2.0
70.47412	0.2
91.05489	18.1
95.04990	1.0
96.95650	0.2
101.00901	0.9
103.05449	0.3
109.06509	0.3
119.02013	1.0
119.04953	42.3
120.05259	0.3
123.04433	1.1
137.05971	0.3
142.03528	0.9
147.04420	100.0
148.04752	1.0
158.12950	0.2
165.05489	1.8
165.09084	0.3
181.73409	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15670	0.5
57.94410	0.5
64.39283	0.5
69.96407	1.1
69.96803	1.2
82.01452	0.7
82.99850	8.7
85.90687	0.5
100.02489	1.1
101.00886	59.6
102.00973	1.3
111.00400	0.8
116.42831	0.6
119.01926	82.5
120.02003	1.0
124.02457	13.6
137.02972	11.0
142.03505	100.0
143.03633	1.3
151.72475	0.6
160.04561	14.4
165.05125	1.4
174.03242	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.1436
Annotation	Mephentermine
Peak:m/z	Relative Intensity
50.17132	0.2
51.25402	0.2
51.40265	0.2
51.90971	0.1
53.03941	0.5
55.05512	0.9
63.92945	2.3
64.68523	0.2
65.03909	0.2
67.05501	0.4
69.03419	0.2
70.06586	0.8
70.68687	0.2
70.69029	0.3
77.03940	0.3
77.44078	0.1
78.95284	4.9
79.05488	0.7
80.05018	0.6
80.05839	0.2
81.03442	0.2
81.07052	0.6
81.93964	0.6
82.01447	0.2
82.06575	0.8
84.08121	0.6
85.02875	0.3
90.04253	0.3
91.04914	0.2
91.05482	3.0
93.07063	1.0
94.06570	0.5
95.04961	0.7
95.08635	0.3
96.96293	0.3
100.02475	0.5
101.00870	0.7
105.04514	0.2
105.07027	1.1
107.07318	0.2
108.04462	0.3
108.08114	1.3
109.08876	0.2
110.07167	0.3
117.05718	0.3
118.03669	0.6
118.06532	0.2
119.01924	1.9
119.04949	4.3
119.08591	0.8
119.97896	3.2
120.08098	0.8
121.08865	0.6
121.10160	0.5
122.06020	0.4
122.09671	1.5
122.94209	1.5
123.04471	0.2
132.08177	0.2
133.08388	0.2
134.09665	0.8
135.04393	0.2
135.10442	1.1
136.03885	0.3
136.04764	0.7
136.07584	13.0
136.11203	2.5
137.03030	0.4
140.07108	0.4
140.95245	2.4
142.03503	1.7
146.03206	0.3
146.06017	0.3
147.03241	0.4
147.04413	7.9
147.08093	0.2
148.11235	1.3
149.11958	0.9
158.96309	2.6
160.04572	0.3
162.12785	5.0
163.96844	1.1
164.04410	1.1
164.07095	3.9
164.10696	2.5
164.14355	100.0
165.10251	0.3
165.14705	1.5
181.97932	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02391	0.2
53.03942	1.5
55.01865	0.4
55.05511	7.2
56.96559	0.6
57.07080	2.0
65.03963	0.6
67.05506	4.5
69.03429	0.8
69.07068	23.3
69.27659	2.4
71.08640	0.4
76.65736	0.3
77.03917	0.6
79.05494	16.8
80.05845	0.2
81.03430	0.4
81.07057	22.7
83.08620	7.2
85.02883	0.4
88.88618	0.3
89.05996	0.3
89.19939	0.3
91.05477	10.3
93.07043	38.6
94.07375	0.5
95.04974	1.5
95.08605	21.4
97.10159	0.4
98.20773	0.4
102.39819	0.2
103.05465	1.5
105.04526	0.6
105.07030	10.0
105.38116	0.2
106.04185	0.3
106.06565	0.4
107.04958	1.5
107.08593	100.0
108.08888	0.9
109.06528	1.7
109.10181	1.8
115.05435	0.4
116.05486	0.3
116.97251	0.6
117.07003	1.4
119.06087	1.3
119.08569	3.3
120.09402	0.3
121.06512	2.0
121.10143	42.5
123.08071	0.9
129.06953	0.3
130.06583	0.4
130.07800	1.5
131.04913	1.5
132.08095	0.5
133.02872	0.6
133.07588	0.5
133.10101	0.6
135.04420	1.2
135.07993	1.3
135.11690	17.4
136.07538	0.6
136.11992	0.4
137.09612	0.4
142.06467	0.5
145.06477	0.6
145.10117	3.5
148.08873	0.3
151.06903	0.3
163.03914	4.7
163.07619	1.2
163.11185	14.9
163.14819	59.7
164.15161	1.2
167.06776	0.3
180.86314	0.3
183.58932	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.1
55.01871	13.1
55.05511	12.4
56.96560	1.9
57.03440	6.7
57.07064	2.5
61.02926	1.7
65.03939	2.0
67.05506	20.0
68.93457	0.8
69.03432	9.9
69.07067	11.7
70.06564	0.9
70.76095	1.7
71.04978	3.4
72.85587	0.9
77.03922	1.8
79.05496	49.4
79.07031	1.0
79.17390	0.8
80.93069	1.4
81.03422	7.8
81.06593	1.6
81.07058	25.8
83.04974	3.9
83.08601	2.8
84.08160	1.6
85.02904	1.3
89.03871	1.3
89.06060	1.4
90.83405	1.0
91.05482	32.6
91.32541	0.9
93.07045	67.6
94.91196	0.9
95.04964	12.8
95.08614	19.2
97.06564	0.9
99.04408	1.0
100.02488	1.3
103.03935	2.0
103.05471	6.6
105.03393	1.8
105.04505	2.9
105.07034	32.0
106.06538	2.4
107.04218	1.1
107.04960	22.5
107.08598	68.0
109.06525	4.4
115.05433	4.2
116.06239	1.2
117.05750	2.0
117.07018	29.9
118.03532	0.9
119.04963	2.1
119.06022	1.0
119.08587	18.4
120.05634	1.0
120.08063	1.1
121.05666	1.5
121.06508	19.6
121.10147	28.0
121.95724	2.4
122.07272	1.1
123.08051	1.2
127.03928	1.1
128.06232	1.6
129.06946	1.5
130.06526	5.3
130.07759	9.5
131.04933	6.1
132.08101	7.3
133.02803	5.3
133.07460	1.0
133.10095	4.5
134.07281	1.2
135.04440	6.5
135.08054	15.3
135.11700	28.8
143.08574	3.7
145.06461	3.9
145.10129	53.1
148.08844	2.1
163.03909	42.9
163.05247	2.2
163.07550	8.0
163.11177	100.0
163.14818	17.5
164.11588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.24498	0.6
53.03947	4.5
55.01881	3.9
55.05508	9.8
57.03438	1.8
57.07056	2.3
61.02942	0.8
65.03928	1.8
66.80830	0.6
67.05505	4.5
69.03425	11.1
69.07072	5.3
69.42944	4.2
71.04995	4.7
77.03905	1.0
79.05495	24.3
80.93082	1.0
81.03432	3.0
81.07061	42.3
83.04982	3.3
83.08614	2.0
84.08124	1.2
85.02906	3.3
89.03905	0.7
89.06039	0.8
91.04916	0.9
91.05481	17.3
93.07045	54.2
95.05004	5.5
95.08620	7.2
97.06564	1.1
98.97586	0.7
99.04440	2.6
103.03970	3.6
103.05468	15.9
105.03396	0.9
105.04578	1.0
105.07030	42.2
106.06528	2.0
107.04945	5.7
107.08596	64.0
109.02892	0.7
109.06481	3.7
114.03439	0.6
115.05466	1.9
117.05711	0.9
117.07025	10.2
119.04935	0.9
119.06029	0.9
119.08581	13.0
120.08077	0.7
121.06513	14.9
121.10141	20.3
121.95731	1.8
123.07996	0.9
127.03905	2.0
128.06218	0.7
129.06960	1.2
130.06520	3.6
130.07799	8.0
131.04921	18.5
132.08109	4.4
133.02792	3.7
133.06531	0.8
133.10129	1.1
135.04440	5.3
135.08070	9.2
135.11696	17.5
143.08543	3.0
145.06490	1.7
145.10127	41.2
147.08034	0.9
148.08839	1.8
161.09627	0.8
163.03911	26.8
163.05244	1.6
163.07538	7.7
163.11179	100.0
163.14832	12.9
164.11568	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.24509	0.5
53.03943	2.9
55.01865	4.0
55.05512	6.6
56.96552	1.7
57.03429	1.3
57.07068	0.6
59.00974	0.7
59.96801	0.5
64.37234	0.7
65.03950	1.0
67.05501	4.3
69.03432	11.0
69.07053	2.1
69.52620	0.5
70.84592	0.8
70.84911	1.1
71.04986	2.6
77.03941	1.0
79.05497	18.9
79.88028	0.7
81.03419	1.2
81.07059	17.7
83.04969	2.7
85.02875	1.2
91.05481	15.0
93.07046	44.9
95.04994	4.7
95.08605	1.8
97.05180	0.5
99.04427	0.9
103.05442	1.9
105.04616	0.7
105.07036	32.0
107.02602	0.8
107.04975	3.3
107.08597	57.1
108.08950	0.6
109.06510	4.8
112.52266	0.7
115.05433	0.7
116.03072	0.7
117.07014	7.3
119.06065	0.6
119.08592	12.4
121.06508	10.4
121.10151	16.2
121.11012	0.7
127.03886	0.9
129.07053	0.9
130.07794	6.0
131.04915	1.5
132.08069	0.7
133.06400	0.8
133.10164	0.9
135.04416	1.2
135.08063	5.9
135.11693	16.0
142.04596	1.0
143.08575	2.1
145.10132	36.9
147.08055	0.7
148.08847	2.2
161.09663	1.0
163.03926	4.5
163.11183	100.0
163.14789	3.0
164.11548	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28861	0.7
53.03949	3.5
55.01876	4.9
55.05513	8.4
57.03426	2.0
65.03944	1.0
67.05495	2.9
69.03426	8.8
69.07069	3.7
70.84867	1.7
71.04998	4.5
77.03930	1.2
79.05497	22.0
81.03402	2.1
81.07057	35.4
83.04966	3.1
83.27161	0.8
91.05480	14.3
93.07046	45.2
95.04977	4.8
95.08601	2.5
99.12799	0.8
103.03927	1.0
103.05473	4.8
105.04498	1.3
105.07037	34.2
106.06578	0.7
107.04977	4.0
107.08597	50.7
109.06491	4.1
115.05436	1.6
117.07026	11.7
117.07825	0.5
119.04948	0.8
119.05865	0.7
119.08582	12.8
121.06507	10.4
121.10143	14.9
121.95617	0.8
127.07572	0.7
128.06194	0.9
129.07045	1.4
130.06572	1.5
130.07774	8.2
131.04924	4.6
132.08107	1.2
133.02849	1.5
133.06487	0.8
133.10088	1.7
135.04474	1.3
135.08047	6.3
135.11694	14.0
143.08524	3.1
145.10126	40.4
148.08847	2.0
148.92055	0.9
161.09575	1.0
163.03906	12.3
163.07513	3.3
163.08784	2.6
163.11182	100.0
163.14807	3.9
164.11613	0.7
171.29190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1112
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03938	3.3
53.30470	0.8
54.09417	0.8
55.01879	5.4
55.05518	5.6
57.88393	0.9
62.46676	0.9
65.03946	1.5
65.25539	0.9
67.05490	4.1
67.05811	0.9
69.03432	13.1
69.07066	1.4
70.84896	2.8
71.04992	2.6
75.66560	0.9
79.05499	19.0
81.07058	16.7
83.04965	2.5
91.05487	14.7
93.07051	46.3
95.04961	5.4
95.08599	2.3
97.06548	1.3
103.05505	2.5
105.07034	32.7
107.04935	3.5
107.08601	56.1
109.06531	3.1
115.05421	1.5
117.07035	7.9
119.08588	14.3
121.06519	11.0
121.10148	15.5
128.06253	1.1
129.07022	1.1
129.94592	0.9
130.07819	5.3
131.04947	2.6
132.08069	1.1
135.08051	5.4
135.11690	14.2
143.08534	1.8
145.10126	40.0
148.08865	1.8
149.35649	1.0
162.62320	0.9
163.03909	5.6
163.11188	100.0
164.11499	1.1
173.75443	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	beta-Dolabrin
Peak:m/z	Relative Intensity
51.02375	0.5
53.03709	0.4
53.03949	5.5
55.01877	3.2
55.05509	0.7
56.96568	1.1
57.03428	0.6
57.07071	1.1
57.31871	0.2
57.32203	0.3
57.99138	0.3
61.02926	0.5
65.03936	1.1
67.05492	1.1
69.03449	1.3
69.07056	1.1
70.06576	0.4
71.04997	0.4
71.52136	0.3
73.02905	0.4
77.03909	1.5
79.05496	18.8
80.04974	0.4
80.93106	0.8
81.03409	1.0
81.07053	3.3
83.01344	2.7
83.04999	0.3
83.08590	0.3
84.08139	0.8
85.02901	0.8
89.03914	0.4
89.06041	0.8
91.05484	13.7
92.02632	2.4
92.16471	0.3
93.03405	1.1
93.07047	6.3
95.04975	7.4
95.08597	1.4
98.94157	0.4
98.97572	0.6
99.04406	0.4
100.02494	0.9
103.03960	0.6
103.05476	2.2
105.03409	3.5
105.04514	4.0
105.07036	7.9
106.06586	1.2
106.07220	0.3
107.04962	8.0
107.08597	23.3
109.06517	1.9
110.01279	0.3
115.05469	4.4
117.05729	1.0
117.07016	6.6
118.03542	0.6
118.06512	0.5
118.59028	0.2
119.01814	0.5
119.04934	1.3
119.06058	1.8
119.08578	1.4
120.02066	0.6
120.05710	0.6
120.08091	0.7
121.06526	2.0
121.10177	3.1
121.95750	1.9
123.07991	0.3
127.03932	0.5
130.06535	2.7
130.07753	0.4
131.04950	2.3
132.08093	2.9
133.02861	20.3
134.03119	0.3
135.04427	20.6
135.08058	23.9
135.11707	1.5
136.04848	0.3
136.08420	0.4
138.03195	0.4
139.96741	0.4
140.98514	0.3
145.06459	1.4
145.10114	2.4
163.03912	100.0
163.07539	20.0
163.11183	6.8
163.12350	3.1
163.14821	3.3
164.04236	1.1
177.00690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0602
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
53.03952	8.8
55.01870	3.6
55.05510	1.9
57.03422	1.7
57.07062	2.0
60.80827	1.1
61.02925	1.8
65.03947	1.6
67.05492	3.5
69.03423	4.4
69.07066	3.2
71.04985	4.1
71.51774	1.4
79.05493	10.7
81.03415	17.3
81.07061	7.4
85.02902	41.5
91.05486	12.1
93.07042	14.5
95.04971	3.3
95.08601	4.5
96.89344	1.4
98.97559	1.6
99.04457	73.8
100.02490	1.9
103.03946	100.0
103.05438	16.3
105.04503	2.0
105.07038	6.0
106.06570	1.7
107.04953	5.9
107.08598	25.0
107.97979	1.3
109.02884	7.2
111.06605	1.5
113.14562	1.1
115.05463	5.1
115.52875	1.4
117.05753	1.5
117.07020	13.4
117.92473	1.1
119.04942	1.6
119.08604	3.0
120.08128	1.3
121.06497	3.4
121.10155	9.2
123.18447	1.5
127.03917	58.3
128.02367	1.3
130.06540	3.6
130.07629	1.1
131.04926	15.0
132.08105	4.8
133.02846	4.5
135.04420	6.7
135.08035	5.3
135.11688	5.3
145.04895	1.5
145.06490	3.4
145.10135	8.8
151.71739	1.2
163.03903	35.7
163.06357	1.3
163.07541	9.2
163.08759	2.1
163.11188	22.0
163.12329	3.5
163.14812	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
55.01891	0.6
55.05515	6.0
67.05502	4.3
67.79990	0.3
69.03424	0.9
69.07072	10.2
69.61269	0.4
69.61572	2.3
72.93786	0.6
78.93138	0.6
79.05492	4.4
81.07060	8.6
83.08591	0.5
91.05486	13.5
93.07050	7.2
95.08601	2.3
98.20729	0.4
103.05468	1.7
105.03376	0.4
105.07036	55.2
107.05961	0.4
107.08591	3.8
113.02402	0.6
115.05447	1.4
116.97256	0.5
117.07019	3.6
118.07838	0.4
119.08585	100.0
119.95712	0.5
120.08860	0.9
121.10182	2.0
123.08070	0.6
128.06227	1.3
130.07814	0.6
131.08569	6.2
132.09331	0.6
133.06505	0.9
133.10135	44.4
134.10445	0.6
143.08574	2.4
145.10133	1.7
146.07275	2.2
146.10898	3.0
150.06204	0.5
158.78670	0.4
159.11684	3.3
161.05966	1.1
161.09641	12.1
161.13260	82.9
162.13651	0.9
173.10617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02379	0.1
51.55366	0.1
53.03940	0.2
55.05512	0.5
58.65530	0.1
64.73326	0.2
67.05508	0.2
69.03407	0.2
69.07060	0.6
71.09757	0.1
71.51328	0.1
71.51820	0.2
74.67184	0.1
75.48572	0.1
77.03926	0.2
79.05494	0.9
81.07053	0.6
85.02898	0.2
85.32846	0.2
91.05486	4.5
93.07062	0.6
103.05480	0.7
104.06245	0.4
105.07036	13.3
107.08565	0.2
111.78295	0.1
113.02277	0.1
115.05476	0.4
117.07037	1.6
119.08587	100.0
119.95751	0.2
120.08135	0.2
120.08891	1.3
121.10181	0.2
128.06253	0.2
131.08545	0.3
133.06555	0.2
133.10133	5.1
141.07042	0.2
143.08549	0.2
145.10107	0.2
146.10782	0.2
159.11687	0.2
161.06009	0.3
161.09621	1.5
161.13266	10.6
162.13713	0.2
171.42374	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03951	0.6
55.01869	0.4
55.05516	5.8
63.20678	0.2
67.05497	0.3
69.03423	0.3
69.07076	1.3
70.06578	0.4
70.90475	0.4
77.63371	0.2
78.93141	0.6
79.05511	1.3
81.07059	0.7
84.08125	0.3
91.05481	5.9
93.07028	1.1
95.04964	0.4
96.94151	0.2
103.05468	1.5
104.06234	0.9
105.03441	0.3
105.07037	12.1
107.08590	1.5
113.02400	0.2
115.05460	0.8
117.07024	2.7
119.08586	100.0
119.95760	0.8
120.08094	0.6
120.08934	1.4
121.10143	2.2
128.06252	0.3
131.08568	1.4
133.06525	1.0
133.10135	13.3
134.10547	0.2
134.43088	0.2
137.96771	0.4
143.08553	0.4
146.10921	0.7
159.11702	0.6
161.05971	1.6
161.09618	2.3
161.13264	16.6
162.11380	0.3
162.13715	0.4
177.40877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01865	0.4
55.05499	0.9
65.03945	0.3
67.05507	0.9
69.03429	5.8
69.07056	0.6
70.06579	0.6
71.10441	0.6
78.93110	1.0
79.05495	2.4
81.07036	0.9
84.39865	0.3
85.02942	0.3
88.02201	0.5
91.05492	4.8
93.07056	2.1
95.08569	0.4
96.94185	0.4
97.02843	0.3
101.95041	0.5
102.27621	0.3
102.86555	0.3
103.03947	0.7
103.05453	1.1
105.03383	0.8
105.07035	37.6
107.04994	0.4
107.08567	0.4
113.02381	0.6
115.03934	0.4
115.05451	1.3
117.07031	2.1
119.04945	0.5
119.08588	14.9
119.95722	1.6
120.06628	0.3
120.08064	1.1
121.06499	1.5
128.06236	5.2
131.04916	0.6
131.08551	1.1
132.05730	1.1
132.09296	0.4
133.06522	3.2
133.10139	11.1
137.96735	0.4
143.08566	6.4
145.06500	2.8
146.07285	5.1
155.06056	0.4
158.17162	0.3
159.08073	3.2
161.06039	2.5
161.09622	100.0
161.13252	11.1
162.09950	2.0
162.11276	1.6
162.12468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01868	0.5
55.05496	0.7
57.46549	0.3
60.08153	0.4
67.05505	0.7
69.03435	4.3
69.07058	0.5
69.84295	1.2
70.06577	0.4
78.93144	2.0
79.05493	0.9
81.07044	0.3
85.02889	0.6
88.02200	0.3
91.05482	3.9
93.07041	2.5
95.05003	0.3
96.94144	0.4
102.09196	0.4
103.03946	0.7
103.05476	0.6
105.03399	0.9
105.07034	28.8
106.07368	0.4
107.04969	1.8
113.02366	0.4
115.05453	0.8
116.06335	0.3
117.07012	1.3
118.96748	0.3
119.04971	0.4
119.08589	5.0
119.95717	1.8
121.06508	11.1
121.07390	0.6
128.06210	4.1
131.04971	1.4
131.08574	1.6
132.05742	1.3
133.06487	2.3
133.10138	19.7
137.96764	1.1
143.08566	6.6
145.06519	2.1
146.07271	18.1
147.07556	0.4
155.06055	0.5
159.08055	1.0
161.09622	100.0
161.13223	4.1
162.09937	1.8
162.11281	1.9
162.12595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01873	0.4
55.05508	0.7
67.05515	1.4
69.03435	4.4
69.07060	0.7
70.65581	0.2
78.93121	1.0
79.05498	2.4
80.24159	0.3
81.07054	2.4
88.02232	0.3
91.05489	8.9
93.07044	3.6
95.08604	0.3
103.03972	0.6
103.05476	0.8
105.03407	0.5
105.07034	31.5
107.04951	1.5
107.08581	0.5
110.54696	0.3
115.05447	0.8
117.07010	1.4
118.07850	0.4
119.04907	0.5
119.08582	10.5
119.95734	1.0
121.06508	10.1
128.06236	4.1
131.04948	1.5
131.08566	1.4
132.05721	1.0
133.06500	2.0
133.10135	23.9
134.10411	0.3
143.08568	6.0
145.06522	1.8
146.07268	20.0
159.08067	1.2
161.09619	100.0
161.13246	10.8
162.09932	1.4
162.11250	1.1
169.21669	0.3
177.99612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.6
69.89619	1.0
71.95264	0.2
74.57275	0.2
78.51605	0.2
82.99840	5.1
83.00306	0.3
85.01397	0.2
87.41547	0.2
93.09290	0.2
97.08835	0.2
98.21462	0.2
98.97590	3.7
100.02445	0.2
100.97198	1.2
100.98021	0.7
101.00886	47.7
101.95027	1.2
101.97205	0.6
102.00932	1.9
102.96861	1.0
103.02448	0.4
107.05278	1.2
111.00457	0.4
111.04450	0.7
111.56487	0.2
116.05780	1.3
116.98631	1.2
119.01927	100.0
119.98247	0.2
120.02011	4.0
120.97912	0.7
121.01598	0.3
121.02381	0.4
124.02498	0.5
125.02602	0.4
129.04761	0.4
134.98013	0.2
134.99683	0.3
137.02962	18.0
138.03096	0.6
142.03502	1.8
143.01888	0.7
143.03622	2.7
144.03300	0.5
147.05087	0.2
149.51987	0.2
161.02974	7.3
161.04362	0.5
179.04015	6.8
179.05580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
56.96576	1.1
65.69596	0.4
67.05505	3.0
70.63295	0.9
70.63626	0.8
76.93373	3.3
79.05516	1.7
79.28257	0.4
81.07077	1.2
91.05486	13.1
93.07051	0.8
93.74773	0.4
94.94407	0.5
98.09727	0.4
99.10061	0.8
103.05467	1.1
105.07040	15.3
113.02399	1.7
115.05451	4.0
116.06238	1.4
117.07026	27.0
117.95978	4.6
118.96760	0.5
119.08584	7.5
128.06247	1.0
129.07010	14.2
130.07011	0.3
130.07794	13.7
131.08577	68.8
132.08925	1.0
135.96996	1.0
141.01843	5.1
142.07790	1.7
143.08549	1.0
144.09351	16.1
157.10115	3.4
159.11699	100.0
159.15729	6.3
159.56577	0.4
160.12041	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05277	1.0
55.05515	17.1
56.10967	0.9
57.07063	2.0
58.34122	1.0
65.18745	0.8
67.05495	1.3
69.07072	89.9
69.77252	0.9
71.00830	2.1
71.01186	1.2
83.08611	1.4
98.20831	1.1
106.32425	0.9
111.11700	2.3
142.15916	100.0
160.16975	80.0
161.17252	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
55.93850	0.1
57.94675	0.1
58.06595	0.3
65.03925	0.2
67.05508	5.2
69.07066	0.3
69.96036	0.1
70.06591	1.4
70.68525	0.2
70.68851	0.2
71.04996	1.4
81.07050	0.6
83.08608	0.3
84.08145	1.3
85.06550	0.3
98.09696	23.1
98.97596	0.3
99.10041	0.4
100.10355	0.2
109.10135	1.5
111.10438	0.3
112.11228	0.4
114.12814	0.3
127.11240	0.2
128.39107	0.1
134.84042	0.1
135.72675	0.1
140.14346	10.6
158.15408	100.0
159.15770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0806
Annotation	1-Methoxynaphthalene
Peak:m/z	Relative Intensity
55.01844	0.6
56.96560	1.1
57.07081	3.8
58.07401	3.0
59.93106	0.7
60.82483	0.4
65.03951	0.6
67.05505	1.8
67.51110	0.5
68.05833	0.7
70.06601	1.2
70.33295	0.5
71.05009	0.8
71.06937	0.6
71.51901	0.5
72.04520	0.9
72.08170	0.6
76.92920	1.0
76.93370	13.1
78.94606	0.5
79.05498	0.8
91.05486	89.7
92.05836	0.6
94.94419	5.4
98.09711	2.0
98.97600	1.4
99.10025	4.8
102.09183	8.1
103.05462	2.7
103.08893	0.9
103.09504	9.3
105.07034	5.9
109.50842	0.4
113.02395	5.3
113.06016	0.5
113.07915	0.8
114.09172	1.0
115.05467	9.6
116.06245	31.6
116.98647	1.2
117.07014	8.0
117.95135	0.9
117.95985	19.1
118.96765	0.9
119.04958	2.1
119.08575	3.0
128.06244	1.7
129.07014	26.1
130.07770	2.2
131.08574	100.0
132.08925	1.1
133.06499	1.6
135.97021	7.7
141.01836	22.9
141.06979	0.8
141.14690	1.9
143.06071	1.5
144.05716	1.0
144.09354	5.5
157.10147	0.9
158.98619	1.4
159.02940	1.1
159.08072	53.5
159.09039	2.5
159.10196	1.8
159.11696	30.7
159.15770	60.9
160.08438	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
67.05516	5.2
69.07065	0.6
70.06583	1.3
70.53783	0.7
71.05001	1.4
81.07093	0.5
84.08152	1.3
88.96253	0.3
98.09705	22.8
98.97597	5.5
99.10027	0.4
100.10325	0.4
107.07207	0.3
109.10152	1.2
112.07648	0.3
113.36980	0.2
114.12791	0.3
116.37943	0.3
116.97224	0.2
116.98627	2.0
118.36206	0.3
127.11221	0.3
128.51640	0.3
134.99669	0.3
140.14354	9.8
157.53764	0.3
158.15419	100.0
159.15739	1.0
163.91241	0.3
176.86455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98639	0.3
56.96569	7.1
56.96854	0.3
70.68540	0.2
70.68866	0.4
71.95272	2.5
88.91047	0.2
98.97591	100.0
99.97933	0.3
100.21384	0.2
101.73747	0.2
116.98627	35.2
123.95912	0.4
132.96480	0.2
134.98650	0.4
134.99666	7.7
140.00220	1.2
141.97037	0.2
153.00684	0.4
153.88615	0.2
158.01270	0.6
158.15392	0.6
165.81624	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14003	0.3
55.05503	0.8
60.54952	0.2
60.86713	0.2
66.47401	0.2
67.05506	5.0
69.07060	0.6
70.06580	2.3
71.04999	1.5
71.51829	0.3
81.07069	0.5
84.08137	1.6
89.03908	0.4
92.90154	0.2
94.02907	0.2
94.06555	0.3
98.06058	0.3
98.09694	23.2
98.97571	1.9
99.10022	0.6
100.10332	0.3
109.10146	1.9
112.07590	1.0
116.97227	0.7
116.98617	1.1
117.03400	0.3
117.07071	0.2
122.06046	0.3
130.06512	1.7
131.08591	0.5
134.99631	0.4
140.14340	9.1
141.01727	0.3
154.02315	0.2
158.05977	0.7
158.09581	1.4
158.15404	100.0
159.11697	1.0
159.15733	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1384
Annotation	N-Methylpelletierine
Peak:m/z	Relative Intensity
55.01870	1.4
57.07064	0.4
60.10083	0.2
69.07047	0.2
70.06595	2.2
70.49141	0.5
70.95867	0.6
72.04520	2.7
72.93790	0.3
74.93835	0.9
90.17864	0.2
98.09695	100.0
98.21490	0.2
99.10022	0.9
110.07182	0.3
111.98469	0.3
115.96425	1.3
121.96059	0.2
132.95869	1.0
133.97443	0.3
145.67877	0.2
150.96924	0.9
156.13844	28.4
157.14215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1384
Annotation	N-Methylpelletierine
Peak:m/z	Relative Intensity
54.49114	0.0
55.04274	0.0
55.05510	0.1
67.05498	0.2
68.05030	0.1
70.06592	3.3
70.68892	0.0
70.69265	0.1
81.07035	0.0
83.07384	0.1
96.08141	0.2
98.09691	100.0
99.10013	0.3
112.11212	0.1
114.12808	0.1
122.88709	0.0
138.12778	0.0
156.13835	22.9
157.14201	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	156.1383
Annotation	N-Methylpelletierine
Peak:m/z	Relative Intensity
62.51312	0.3
67.05505	0.3
69.49184	1.6
69.62073	0.2
70.06592	2.5
70.95872	0.7
72.93793	0.7
74.93826	0.4
76.40195	0.2
94.58945	0.2
96.08138	0.2
98.09699	100.0
99.10028	0.7
110.02419	0.3
110.07194	0.3
111.98473	0.6
115.96402	0.3
132.95865	1.2
138.59372	0.2
150.96837	1.2
156.06520	0.3
156.13847	24.1
157.14209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22984	0.1
68.05035	0.1
70.06595	2.6
70.21297	0.3
79.26782	0.1
98.09694	100.0
99.10025	1.1
110.07191	0.2
156.13841	26.9
157.14180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	3.2
61.02888	1.1
70.06580	2.3
71.15544	2.0
73.02897	1.6
74.09721	15.1
82.05316	2.5
82.44743	1.3
83.06116	9.6
84.01550	1.7
85.02898	1.8
85.87002	1.1
89.42210	1.2
90.01537	1.4
93.02037	1.3
93.04536	6.9
95.06101	7.3
96.96935	2.8
98.09700	85.9
101.00843	1.1
103.02447	2.1
105.02068	2.0
107.64555	1.1
110.07174	100.0
111.02097	1.7
112.05293	6.0
114.86504	1.3
115.02406	2.6
119.01840	1.3
121.03506	1.5
130.06325	16.0
131.00165	4.3
132.02177	1.3
133.03476	8.4
149.01244	3.6
156.04214	94.3
156.07697	11.2
156.13846	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00308	2.8
53.03940	2.9
54.00394	1.4
55.01862	3.1
55.05515	17.3
56.96563	1.6
57.03430	2.7
57.07074	2.2
59.05001	6.8
65.03947	9.1
67.05499	12.9
69.03420	4.8
69.07068	18.7
69.26038	2.4
69.26376	12.8
69.65816	1.4
70.06593	2.5
70.94266	8.7
70.95869	4.1
71.04994	43.8
71.94104	1.8
73.06556	24.4
79.05495	33.8
80.05821	1.8
81.07058	100.0
81.23482	1.4
82.07372	1.8
83.04986	6.4
83.08640	2.6
84.08139	2.4
91.05494	14.8
91.82234	1.3
93.03393	5.9
93.07044	50.8
95.04986	8.2
95.08601	13.8
97.06528	16.2
105.07021	4.6
107.04982	6.6
107.06959	1.5
107.08598	54.4
108.08942	1.4
109.06508	5.2
109.10153	11.1
110.03646	2.2
110.09695	1.7
111.04447	16.0
111.06361	1.5
111.08075	6.8
111.96896	9.4
112.96729	2.1
116.48217	1.6
117.96095	1.3
119.08590	2.9
123.06748	1.5
124.07183	2.5
125.06012	8.5
125.09648	3.9
129.97928	2.7
135.04402	4.6
135.06393	3.0
135.08060	6.3
135.11694	35.4
135.32144	1.4
153.04221	2.8
153.05498	9.0
153.09157	11.2
153.11086	4.7
153.12740	21.3
153.13908	1.0
154.08768	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03937	1.7
55.01860	1.1
55.05510	4.4
56.65208	0.8
57.03435	2.3
57.07066	1.8
59.04998	2.6
65.03926	2.2
67.05504	12.1
69.02901	0.8
69.03414	3.0
69.07075	11.4
70.94271	1.1
71.04996	4.1
73.06554	1.0
79.05494	12.1
81.06593	1.5
81.07059	19.3
83.04988	9.3
83.08616	2.9
91.05475	8.2
93.03409	1.9
93.07046	68.9
94.07363	1.0
95.04937	2.6
95.08611	57.9
96.27039	0.9
97.05922	1.6
97.06530	23.8
105.07026	2.8
107.04943	1.1
107.08595	100.0
109.06499	2.3
109.10163	33.0
111.04436	1.5
111.08099	1.9
125.05983	1.6
129.58397	0.8
135.04533	0.8
135.06358	1.4
135.08043	1.0
135.11697	54.9
153.01906	1.0
153.05458	1.8
153.09192	1.4
153.12753	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03949	3.2
55.01860	0.7
55.05516	11.0
57.03453	0.8
57.07070	2.5
57.20456	0.7
59.05008	7.2
65.03938	1.6
67.05518	5.7
67.05818	1.1
69.03429	1.2
69.07076	11.0
70.86646	1.2
70.94263	3.1
70.95850	1.2
71.04997	38.9
73.06564	24.0
79.05016	0.7
79.05497	22.9
81.07062	100.0
83.05002	1.8
83.08632	2.2
85.06583	0.6
91.05487	9.2
93.03403	1.8
93.07050	40.9
95.04987	2.2
95.08620	9.0
97.06535	6.8
99.73747	0.7
104.21545	0.7
105.07031	2.6
105.94350	0.6
107.04973	1.8
107.08603	42.3
109.06552	2.3
109.10158	8.1
111.04432	2.4
111.08082	5.0
111.96880	1.9
119.08604	1.1
125.06013	1.3
125.09656	2.2
129.97865	0.9
135.04442	0.8
135.08089	2.8
135.11700	31.9
135.12732	1.5
139.78207	0.8
153.05463	1.7
153.06845	0.7
153.09122	3.1
153.12759	17.9
153.13986	1.2
168.75813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00306	2.4
53.03945	5.5
55.01867	2.0
55.05515	19.6
57.03439	2.9
57.07076	3.2
57.15672	1.2
59.05002	8.8
65.03939	7.4
67.05508	13.4
68.99791	8.9
69.03418	5.2
69.07066	16.9
70.06581	1.1
70.86973	2.8
70.94257	6.3
70.95873	1.3
71.04996	42.4
71.94106	1.8
73.06559	23.5
79.05079	1.9
79.05501	33.2
81.03412	2.0
81.07059	100.0
83.04990	10.3
83.08617	3.7
84.08162	1.9
85.06551	1.6
85.10176	2.4
88.95302	1.7
91.05489	11.4
93.03412	4.7
93.07046	63.1
93.07643	3.0
95.04987	6.1
95.08618	17.4
97.06538	15.3
100.02483	4.1
105.04542	2.1
105.07027	4.5
107.04951	5.9
107.08599	68.7
109.06496	6.6
109.10159	16.8
110.03636	1.2
111.04446	7.7
111.08095	10.4
111.96892	4.0
113.55050	2.3
119.08623	1.9
125.06006	6.4
125.09634	6.3
129.97919	2.2
135.04404	2.8
135.08049	4.8
135.11690	40.9
153.05472	5.2
153.09131	10.0
153.12749	22.1
154.04953	1.1
155.19620	1.3
159.05017	1.4
168.05084	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00300	1.1
53.03933	3.3
55.05509	16.4
56.96570	1.1
57.03429	2.0
57.07066	2.0
59.05009	7.9
65.03930	4.1
67.05244	1.2
67.05502	11.5
68.99774	5.0
69.03412	3.9
69.07069	16.9
70.94250	5.1
70.95853	1.5
71.04993	37.8
71.52396	1.6
71.94085	1.4
73.06554	24.2
79.05080	1.9
79.05496	29.4
81.07055	100.0
81.73292	1.0
82.01472	1.7
83.04985	6.4
83.08613	3.3
84.08114	2.2
85.06552	1.7
91.05471	11.3
93.03385	3.8
93.07042	59.0
95.04961	6.4
95.08611	15.6
97.06529	12.3
97.73350	1.1
100.02487	3.5
105.06997	4.8
107.04944	4.1
107.08590	60.9
109.06496	3.7
109.10143	16.1
111.04422	4.5
111.08069	10.1
111.96859	5.7
125.05968	4.8
125.09597	5.7
129.97931	1.8
135.04395	1.6
135.08078	5.7
135.11684	41.6
136.07526	1.7
153.05452	3.7
153.09204	6.5
153.10155	1.8
153.12735	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	152.1073
Annotation	Mearsine
Peak:m/z	Relative Intensity
53.03951	0.4
55.01886	0.6
55.05521	1.7
56.05026	0.6
56.96593	0.6
57.03466	0.3
63.19405	0.2
65.03947	1.5
67.04281	0.3
67.05513	14.2
68.05061	0.4
68.05853	0.4
69.03451	0.5
69.07077	0.9
69.16303	1.1
69.16734	1.4
70.06602	2.7
70.94289	0.4
71.05002	0.4
77.09933	0.2
79.05502	8.6
80.05017	1.2
81.03439	0.3
81.05836	0.5
81.07065	5.8
82.06596	3.8
82.07386	1.3
83.04981	0.7
84.08160	0.9
84.58534	0.3
87.15326	0.3
91.05492	4.7
91.06020	0.4
92.05827	0.8
93.03437	0.7
93.07053	2.1
94.06593	2.0
94.07388	0.3
95.04964	2.0
95.07371	0.9
95.08646	0.5
96.04501	1.5
96.08152	2.5
96.08756	0.4
97.02884	0.3
97.05300	1.3
97.06559	1.2
98.06081	0.3
105.07046	2.5
106.06579	5.5
106.07361	0.9
107.04950	1.6
107.08607	15.3
108.04489	0.8
108.08202	0.6
108.08949	0.9
109.05318	0.5
109.06540	2.6
109.08945	0.8
109.10168	14.8
110.03553	1.1
110.06063	37.7
110.06870	3.5
110.09728	1.4
110.10403	0.4
111.04460	2.2
111.06891	1.2
115.05457	0.7
117.06998	1.7
119.07319	0.4
120.08075	0.3
121.06512	0.5
122.06064	1.4
122.06849	0.3
123.06825	45.9
124.03973	0.5
124.07652	3.9
124.11250	3.5
124.12061	0.4
125.09605	0.4
128.04585	0.5
129.97864	0.3
134.05002	0.5
134.06033	9.4
134.09647	2.6
134.10460	0.3
135.03082	0.9
135.04428	1.8
135.08072	7.7
137.08392	0.4
152.01689	0.7
152.05699	9.4
152.07091	5.8
152.10715	100.0
153.04138	2.1
153.05266	0.4
153.09149	1.9
153.11018	1.4
153.12762	0.4
172.40079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50446	0.2
55.02999	0.3
56.05030	1.0
56.96341	0.2
56.96573	2.7
57.03440	0.4
61.02929	0.3
63.00722	0.4
69.03419	0.2
69.57687	1.4
70.06588	0.2
70.98114	0.5
73.02916	0.7
75.04487	0.2
80.52721	0.2
83.50933	0.3
83.58408	0.2
84.08139	0.3
84.96039	0.2
85.01398	0.3
85.02913	0.3
89.00751	0.3
89.14327	0.2
97.02918	0.3
98.01337	0.2
98.97585	1.9
99.97976	0.3
103.02475	0.3
104.01250	0.3
105.02068	0.3
106.04910	0.7
108.08090	0.3
109.05140	1.8
110.01288	0.4
110.03538	11.8
110.09670	0.3
110.51454	0.3
110.97587	1.5
111.53564	0.2
116.98663	0.4
117.02082	0.3
119.01848	0.7
128.02361	0.4
128.04576	3.2
128.52470	0.6
128.98633	1.6
129.04019	0.3
133.03429	0.3
134.04646	1.2
134.06020	1.3
135.03029	14.8
136.01414	0.5
146.99744	0.3
147.01335	0.2
147.05031	0.6
152.05690	100.0
153.04091	17.1
153.06085	0.7
154.02492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0568
Annotation	Guanine
Peak:m/z	Relative Intensity
53.28357	0.2
55.02997	0.4
55.24479	0.2
56.96556	1.5
57.03424	0.4
58.29285	0.2
70.73222	0.3
79.05492	0.2
82.04066	0.4
85.02897	0.3
89.00774	0.2
90.41707	0.2
93.15755	0.2
98.97590	0.8
107.03587	0.2
108.08103	0.6
109.05141	1.6
110.03534	11.2
110.97569	1.1
115.02467	0.2
119.01823	0.3
121.06544	0.2
121.73524	0.2
128.04584	2.7
128.52475	0.2
128.98631	0.9
129.26181	0.1
134.04645	1.0
134.06010	1.2
135.03029	23.4
136.01437	0.4
146.99666	0.4
150.36447	0.2
152.05681	100.0
152.10532	1.1
153.04085	19.8
153.05887	0.9
154.02502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
52.78488	0.3
53.03944	0.7
55.01870	0.4
55.05515	5.9
56.96581	0.4
57.03438	0.5
57.07083	1.3
59.05014	0.3
65.03947	2.0
67.05508	86.4
68.05844	0.4
69.03439	0.9
69.07072	4.3
69.84315	1.6
71.08622	0.5
79.05494	6.5
80.06272	0.4
81.03410	0.3
81.07059	46.5
82.07392	0.4
83.04987	1.6
83.08633	0.9
84.39336	0.3
85.02926	0.3
89.06039	0.6
91.05486	5.2
93.07053	7.8
95.04977	2.3
95.08611	100.0
96.08939	1.0
98.97607	0.7
105.07039	7.7
105.07607	0.3
106.06593	0.7
107.08599	9.7
109.06545	2.9
109.10161	57.1
110.01310	0.4
110.10503	0.6
119.01801	0.7
121.52120	0.3
123.04465	0.5
123.08104	2.1
123.11720	2.0
125.59481	0.3
128.02370	0.3
131.08554	0.5
133.10143	7.3
134.06006	0.9
139.53091	0.6
151.03896	0.9
151.07568	2.7
151.08585	0.5
151.11197	9.6
151.14819	13.2
152.07062	0.5
152.10745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36546	0.4
53.03949	1.0
55.01873	0.7
55.05515	6.3
56.96584	0.5
57.07080	0.8
59.04996	0.6
65.03950	2.0
67.05510	90.4
68.33807	0.4
69.03454	1.1
69.07069	5.1
71.51934	0.6
79.05499	7.0
81.03413	0.8
81.07063	49.1
83.04980	0.9
83.08637	1.5
85.34421	0.4
89.06036	0.9
91.05489	6.2
93.07050	8.0
95.04988	2.4
95.08613	100.0
96.08936	1.1
101.00736	0.5
105.07043	7.5
106.06551	0.7
107.08598	9.1
108.05766	0.6
109.06541	3.2
109.10164	56.1
110.62409	0.5
117.07069	0.4
119.01832	0.7
119.04958	0.5
119.06133	0.5
119.08555	0.5
123.04394	0.7
123.08057	3.5
123.11687	2.4
124.07590	0.5
133.06557	0.7
133.10130	7.2
134.05983	1.2
151.02859	1.0
151.03963	1.0
151.06152	0.6
151.06337	0.7
151.07529	4.5
151.08662	1.2
151.11195	12.5
151.14822	11.8
151.16023	0.5
152.07098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
50.31909	0.3
50.64692	0.4
53.03944	0.5
53.33496	0.3
54.41412	0.4
55.01870	0.8
55.05506	1.3
55.11779	0.3
57.03437	0.6
57.07065	1.1
59.04994	1.0
65.03958	0.5
67.05510	5.0
69.03421	1.5
69.07089	1.8
69.65870	2.1
79.05504	3.1
81.06588	0.8
81.07062	11.5
83.05019	0.5
86.74821	0.4
91.05491	4.5
93.07050	4.7
93.34109	0.4
95.04979	3.1
95.08610	3.5
97.06525	0.7
98.21492	0.4
105.06393	0.7
105.07047	7.8
106.06525	0.5
106.07262	0.4
107.08604	5.3
108.05730	0.4
109.06525	11.9
109.10163	8.5
121.06535	0.9
121.10178	2.0
123.08082	4.4
123.11739	3.5
133.10146	4.9
134.06009	0.9
136.08823	1.2
151.07608	1.4
151.11197	100.0
152.11490	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
51.75003	0.1
53.03954	0.8
55.01872	1.1
55.05515	2.6
56.96539	0.1
57.03444	0.7
57.07081	1.5
59.05008	1.3
65.03942	1.2
67.05511	14.8
69.03437	1.9
69.07073	3.2
71.04997	0.4
71.09789	0.3
71.10124	0.3
77.03870	0.2
79.05500	8.0
80.05846	0.2
81.03437	0.9
81.07064	29.4
82.06597	0.2
82.07384	0.3
82.49216	0.1
83.05000	0.6
83.08614	0.2
89.06073	0.2
91.05490	11.5
92.05824	0.2
93.07052	8.2
94.04195	0.3
94.07378	0.2
95.04980	5.3
95.08615	9.1
96.05776	0.2
96.08150	0.3
97.06541	1.2
103.05464	0.8
105.07043	19.2
106.06578	0.7
106.07320	0.4
107.04951	0.9
107.08602	10.4
108.05779	0.4
108.08239	0.2
108.08916	0.4
109.06526	19.2
109.09399	0.4
109.10165	12.0
110.01364	0.2
110.07395	0.2
110.10484	0.3
115.05449	0.3
116.06291	0.2
117.07037	0.4
118.07822	0.3
119.01854	0.4
119.06093	0.7
121.06538	0.8
121.10152	2.7
121.83964	0.2
122.07319	0.5
122.10527	0.2
123.04465	1.0
123.08083	6.4
123.10851	0.5
123.11715	9.0
124.07636	0.4
131.08604	1.2
133.06538	1.1
133.07498	0.3
133.10138	9.4
134.06030	1.1
136.08849	2.2
151.04085	0.8
151.07607	8.3
151.11194	100.0
152.05879	0.2
152.07100	0.4
152.11554	1.5
169.33273	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03944	0.5
55.01866	0.4
55.05505	1.0
57.03424	0.4
57.07064	0.8
57.32958	0.3
58.71396	0.3
59.04985	1.0
65.03938	0.4
66.43629	0.3
67.05510	5.1
69.03422	0.9
69.07063	1.2
70.86254	0.6
79.05492	3.1
81.03439	0.5
81.06590	0.6
81.07057	9.5
91.05481	3.7
93.07042	5.0
95.04978	2.0
95.08620	3.8
97.06532	1.0
105.07033	8.7
107.04961	0.4
107.08601	4.2
109.06522	10.5
109.10163	6.4
112.65776	0.3
113.80171	0.4
119.06055	0.6
121.06489	0.6
121.10156	1.8
123.08083	4.1
123.11701	2.9
128.59644	0.4
131.08621	0.4
132.51627	0.4
133.10130	3.1
136.08842	1.9
139.09471	0.3
151.11188	100.0
152.11497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
52.03178	0.3
53.03940	0.7
55.01867	1.1
55.05510	1.8
56.96559	0.4
57.03435	0.5
57.07077	1.5
59.04998	0.9
64.99574	0.2
65.03925	0.7
67.05509	8.6
68.95284	0.3
69.03439	1.3
69.07072	2.9
71.04969	0.3
71.08900	0.5
79.05493	4.9
81.03414	0.9
81.07060	18.0
83.04982	0.7
83.08596	0.3
84.93875	0.2
89.06050	0.4
90.51616	0.3
91.05482	5.6
93.07047	7.4
95.04977	4.1
95.08614	10.3
96.08157	0.3
96.10673	0.2
97.06530	1.2
98.97582	0.3
103.05476	0.6
105.03393	0.4
105.07040	11.3
106.06577	0.4
107.04938	0.7
107.08603	5.9
108.05744	0.5
109.02851	0.3
109.06527	12.8
109.10163	10.1
118.07841	0.3
119.01797	0.5
119.04971	0.2
119.06047	0.7
121.06510	0.6
121.10139	1.9
123.04470	0.8
123.08076	5.4
123.10840	0.3
123.11726	6.3
124.07555	0.3
127.07570	0.3
128.02327	0.3
131.08597	0.6
133.06500	1.0
133.07451	0.3
133.10139	5.5
134.06023	0.5
136.08852	1.7
151.03922	1.7
151.07724	3.1
151.11189	100.0
152.05740	0.5
152.07033	0.5
152.11533	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
50.73374	0.7
53.03934	3.0
55.01866	4.7
55.05514	10.2
57.03444	5.7
57.07061	1.4
60.01967	0.8
65.03932	2.9
66.47395	0.8
67.05506	54.9
69.03434	8.9
69.07058	4.0
69.22652	7.0
69.23069	2.2
71.04981	3.8
79.05497	37.3
81.03423	1.8
81.07059	57.0
83.04982	18.0
85.06535	1.9
89.06053	1.3
91.05484	53.6
93.07046	40.9
93.72787	0.9
95.04977	14.9
95.08611	18.7
97.06541	2.2
98.97555	1.4
105.07037	74.9
106.06577	0.9
106.07346	1.4
107.08599	100.0
107.47624	1.2
108.08896	1.2
109.06525	16.6
109.10156	38.9
110.01278	2.0
110.06063	0.8
119.06107	1.2
123.04403	1.3
123.08051	5.3
123.11711	9.7
130.52631	1.0
131.08562	3.8
133.10136	81.0
134.10509	1.3
151.03999	2.2
151.07581	3.0
151.11189	80.3
152.07056	1.5
160.51385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
53.03940	2.9
55.01873	6.1
55.05511	11.7
56.96547	1.6
57.03442	5.9
57.07093	1.9
65.03942	2.4
67.05506	62.4
68.95288	2.8
69.03438	9.5
69.07054	5.3
69.89231	2.5
69.89655	4.1
71.04994	3.1
79.05492	39.4
80.05785	1.1
81.03399	3.6
81.07057	61.3
83.04977	15.7
83.08641	1.3
89.06025	3.6
91.05479	64.0
93.07044	44.0
93.07641	2.1
95.04967	16.2
95.08002	1.1
95.08606	23.5
97.06516	1.5
98.97603	1.5
100.68740	1.3
105.04498	1.4
105.07031	83.0
106.07356	1.8
107.04909	1.5
107.08595	92.7
109.06517	22.5
109.10155	39.3
110.01293	1.5
110.10458	1.3
116.48178	1.9
117.07048	1.3
119.01808	2.0
119.06051	1.9
119.08607	3.8
121.06554	1.4
121.52110	1.3
123.04441	1.9
123.08073	13.0
123.11707	12.3
128.02365	1.3
131.08586	4.4
133.06528	1.6
133.10130	83.1
134.05940	1.5
134.10471	2.2
151.03958	5.5
151.07544	5.5
151.08588	2.3
151.11185	100.0
152.05624	1.7
152.07042	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	151.0753
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
51.30738	0.5
53.03933	1.8
55.01865	1.3
55.05511	1.2
56.96560	2.6
61.02901	0.8
65.03945	4.7
66.97621	0.6
67.05509	5.7
69.03431	1.1
69.07067	0.8
70.06593	0.7
71.26762	1.0
73.02896	0.9
79.05499	6.0
81.03423	1.3
81.07058	7.4
83.04971	0.8
84.08144	1.0
85.02893	0.6
89.06009	0.7
91.05485	100.0
92.05836	1.3
93.07052	4.8
95.04980	12.7
95.08601	6.0
96.08162	0.8
98.97588	1.9
103.05496	0.6
105.03442	0.8
105.07050	9.0
106.06540	2.1
106.07287	1.0
107.04961	3.6
107.08605	3.8
108.05733	1.2
109.06521	6.8
109.10170	2.4
110.01240	1.4
110.06042	1.0
119.01832	2.2
119.04944	61.8
120.05289	1.1
121.06512	1.8
121.10191	1.6
123.04447	2.0
123.08073	5.8
123.11722	2.2
128.02325	2.6
131.99106	0.6
133.02827	0.6
133.04784	2.6
133.06499	2.2
133.10139	2.7
134.05998	3.1
136.05208	7.3
137.05986	5.3
151.04031	3.4
151.07549	81.5
151.11099	5.1
151.12228	1.1
152.05676	0.9
152.06984	1.4
152.08067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
53.03937	5.5
55.01884	1.6
55.05519	12.3
57.07065	3.4
65.03940	16.4
67.05518	8.2
69.07077	15.2
71.35536	2.7
75.16599	1.5
78.01141	1.3
79.05493	41.9
81.07061	30.4
83.08615	2.1
84.69882	1.3
91.05482	24.3
93.03422	2.4
93.07051	100.0
95.04961	4.2
95.08604	6.3
105.04508	2.0
105.07051	9.2
107.05003	1.7
107.08602	72.7
108.16940	1.5
111.04467	3.1
119.06068	2.5
121.02872	19.8
121.03963	5.9
121.06512	2.5
121.10145	26.0
149.02354	47.5
149.03522	2.6
149.06007	4.6
149.09666	6.6
149.13274	43.9
150.05508	1.5
150.10924	1.6
162.42294	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0552
Annotation	5,6-Dihydroxyindole
Peak:m/z	Relative Intensity
53.03935	0.6
55.01873	0.4
56.05027	0.4
56.96558	0.5
59.07374	0.2
61.66412	0.2
65.03912	0.2
67.05504	0.3
70.56660	0.3
70.56989	0.5
73.94675	0.2
77.03989	0.2
80.05016	0.9
84.37671	0.2
85.02900	0.4
94.06575	2.0
95.04974	5.5
97.02906	0.2
100.15070	0.2
104.04984	1.0
105.03408	1.0
105.07024	0.3
107.04982	0.4
107.69169	0.2
108.04491	0.4
121.02874	5.2
122.06038	18.3
123.04446	0.4
123.06396	0.2
123.07912	0.5
132.04451	2.6
133.02867	4.3
133.05151	0.3
150.05513	100.0
150.12813	0.9
151.03923	1.5
151.05818	1.1
151.09886	0.2
154.01770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03950	2.5
54.49440	0.7
55.01847	1.7
55.05503	3.2
65.03942	31.5
67.05508	11.8
69.07059	5.6
70.02350	0.9
70.90940	2.9
79.05502	14.3
80.43962	1.0
81.07059	28.9
83.08615	1.2
91.05483	7.1
93.03428	5.1
93.06485	1.9
93.07050	30.7
95.04958	1.4
95.08598	4.5
98.03658	1.6
103.05477	2.4
105.04530	0.9
105.07011	4.5
107.04963	1.4
107.08601	25.0
108.04447	2.4
108.90427	1.4
111.04456	4.1
121.02874	39.8
121.03981	14.2
121.06512	2.7
121.10110	8.6
131.04959	1.3
131.08553	1.2
149.02354	100.0
149.03369	3.5
149.06012	2.2
149.07123	1.7
149.09660	4.9
149.10680	1.0
149.13266	22.3
150.02681	1.8
150.05470	1.3
160.95612	1.0
167.03455	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03935	2.1
55.01866	1.5
55.05503	2.9
57.72768	0.8
65.03944	29.4
67.05504	9.7
68.99788	1.6
69.07074	5.0
70.26976	1.9
79.05073	1.1
79.05499	14.1
81.06592	1.4
81.07059	22.3
83.08620	1.8
91.05471	7.4
93.03410	7.4
93.07046	24.3
95.04998	1.5
95.08599	3.8
98.03678	1.4
98.21514	1.0
103.05470	3.1
105.07008	2.0
107.04958	2.3
107.08604	17.8
108.04483	1.8
111.04432	5.3
115.53519	0.8
118.42587	1.0
119.08601	1.3
121.02873	40.9
121.03976	12.5
121.06475	4.0
121.10156	9.8
122.03200	1.0
131.04932	1.4
131.08601	2.0
149.02354	100.0
149.05948	5.4
149.07047	1.4
149.08467	1.0
149.09616	6.7
149.13277	18.7
150.02655	1.3
150.05522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03940	1.5
55.01871	2.3
55.05504	2.7
65.03944	27.1
67.05509	7.0
67.98606	0.8
69.07075	5.8
69.39578	4.4
71.63276	0.7
79.05500	13.4
81.07060	21.6
82.07374	0.8
83.08613	1.3
91.05479	7.8
91.94508	0.8
93.03407	6.7
93.07050	30.4
93.07639	1.5
94.07367	1.0
95.04984	1.6
95.08601	2.8
103.05459	2.7
105.03389	1.1
105.07000	3.7
107.04945	5.5
107.08598	23.2
108.04498	1.9
109.06499	1.7
111.04461	3.8
113.22580	0.7
120.05746	1.2
121.02875	41.9
121.03978	11.2
121.06535	3.6
121.10162	7.6
123.07973	1.4
124.13618	0.8
131.04955	2.3
131.08614	1.6
133.99678	0.7
149.02353	100.0
149.03342	3.5
149.05980	4.0
149.07112	2.0
149.09641	8.6
149.13263	20.3
150.02689	1.7
150.05466	1.4
168.80257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03939	1.8
55.01871	1.7
55.05507	3.2
65.03941	32.5
67.05502	8.2
69.07075	3.7
71.25104	1.7
79.05495	12.8
81.06590	1.4
81.07053	21.3
83.08611	1.2
87.44765	0.8
91.05477	8.5
93.03387	5.7
93.07043	25.9
95.04967	1.4
95.08609	3.5
98.03695	0.9
103.05450	2.2
105.07030	4.2
107.04961	4.2
107.08602	18.0
108.04504	1.5
111.04465	3.7
116.06185	1.0
119.08549	1.2
121.02865	41.9
121.03973	15.2
121.06491	3.6
121.10120	7.5
122.06056	1.0
131.04951	2.1
131.08548	1.6
149.02344	100.0
149.06012	2.8
149.07069	1.5
149.09627	8.8
149.10687	1.0
149.13249	18.9
150.02676	2.2
150.05490	2.1
165.48331	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.32031	0.7
53.03943	2.8
53.18900	0.7
55.01862	2.3
55.05518	5.3
65.03622	1.7
65.03945	28.4
67.05510	13.0
69.07078	6.1
69.41305	3.2
69.41728	3.0
75.93422	0.8
79.05078	1.4
79.05499	20.8
81.06590	1.6
81.07059	35.3
83.08606	2.2
91.05492	11.3
93.03412	5.9
93.07046	36.5
95.04976	2.1
95.08605	6.7
98.03648	1.2
103.05460	3.6
105.07039	4.6
107.04960	8.2
107.08598	28.4
109.06509	1.0
111.04412	5.6
113.30926	0.8
116.06213	1.1
121.02874	39.1
121.03979	10.7
121.06489	4.3
121.10139	10.8
122.05977	1.2
123.07978	1.0
126.05475	0.9
131.04950	2.1
131.08568	2.9
149.02353	100.0
149.03371	3.9
149.05948	5.7
149.09654	11.2
149.13274	29.7
150.02686	0.9
150.05464	1.0
150.09177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42163	0.7
51.51305	0.6
52.12970	0.6
53.03951	4.1
55.01874	5.1
55.05501	2.9
56.87452	0.7
58.50677	0.7
65.03938	25.9
65.65000	0.7
67.05487	2.6
68.99789	26.1
69.07063	3.6
71.51821	0.9
79.05496	11.7
81.03406	0.7
81.07056	25.4
91.05482	16.3
92.05756	0.8
93.03405	5.3
93.07045	32.5
95.04969	3.0
95.08631	1.6
96.05332	0.6
98.03630	1.3
103.05468	14.8
105.04553	1.1
105.07031	15.2
107.04974	4.9
107.08593	26.0
108.04471	2.1
109.06505	1.2
111.04446	4.2
116.06209	1.4
119.06065	1.1
119.08575	3.1
121.02862	39.1
121.03975	10.6
121.06504	29.1
121.10142	48.0
122.10486	1.2
123.08038	3.0
126.05547	1.2
131.04904	3.5
131.08586	3.5
133.07613	1.0
134.03645	1.0
134.10913	0.9
149.02344	100.0
149.05980	70.8
149.09619	14.8
149.10744	1.6
149.13266	13.5
150.02710	1.6
150.05432	1.3
150.09142	1.5
169.03508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03945	3.4
55.01866	2.8
55.05512	1.4
57.86140	0.9
58.93732	0.9
65.03944	9.1
67.72708	0.9
69.03422	4.5
69.83743	4.3
79.05499	13.6
81.03738	0.8
81.07053	1.4
81.51767	0.8
86.04978	0.8
91.05486	36.5
93.03403	2.4
93.07050	21.8
95.04988	2.2
98.20856	1.0
103.05479	7.4
105.04563	0.9
105.07040	28.4
106.07820	2.7
107.04942	2.1
107.08585	3.4
108.83365	0.8
109.06538	3.3
112.91811	0.8
115.05463	4.3
116.06243	15.0
119.08572	6.3
121.02877	10.9
121.03981	3.6
121.06498	14.2
121.10152	34.6
123.08063	3.1
129.07008	5.7
131.04936	2.3
131.08589	22.6
133.07629	2.9
134.07281	3.5
147.08028	2.8
149.02361	28.0
149.03500	1.3
149.05960	3.7
149.09628	100.0
150.09998	1.7
168.08934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	4-Hydroxycinnamyl aldehyde
Peak:m/z	Relative Intensity
53.03934	3.1
55.01877	32.2
55.05499	1.8
55.64060	0.8
62.64465	0.8
65.03943	30.7
67.05498	1.8
69.07065	2.1
70.85133	1.8
70.85510	1.6
77.03926	1.3
79.05500	7.8
80.04996	1.1
81.07057	6.3
85.43389	0.8
91.04972	1.3
91.05488	12.8
93.03416	5.9
93.07044	24.7
95.04967	3.1
95.08608	1.5
98.03676	1.0
98.44339	0.9
103.05473	30.9
103.06155	1.6
105.04491	1.6
105.07028	3.0
107.04954	11.5
107.06077	1.3
107.08601	11.2
108.04478	1.1
110.81793	0.8
111.04434	4.1
119.04945	2.1
121.02869	40.6
121.03973	12.4
121.04752	1.6
121.06506	13.6
121.10152	6.9
131.04933	47.1
131.08527	1.1
149.02350	100.0
149.05994	30.4
149.09622	5.6
149.10692	1.5
149.13257	9.0
150.09146	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	149.0599
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
50.09068	0.6
53.03947	3.5
54.60760	0.6
55.01871	3.9
55.05515	1.5
57.07076	0.8
65.03616	1.2
65.03944	20.6
67.05502	1.3
68.99795	33.0
69.07066	2.3
74.37478	0.6
77.03917	1.3
79.05497	11.2
81.07058	30.3
85.04866	0.6
91.05484	16.8
91.06029	1.4
92.05834	0.7
93.03423	5.0
93.07047	27.4
95.04981	3.7
95.08584	0.8
98.03686	0.9
103.05471	18.3
105.04510	1.3
105.07043	9.9
107.04971	5.8
107.08600	15.0
111.04451	2.4
116.06248	1.1
119.08575	2.0
121.02876	28.1
121.03995	9.4
121.06510	36.1
121.10149	30.0
121.11053	0.9
122.06839	0.9
123.08030	1.7
129.07014	0.6
131.02373	0.8
131.04926	3.5
131.08589	2.7
133.07616	1.0
134.96236	0.7
149.02357	68.4
149.05988	100.0
149.09615	12.3
149.13271	7.3
150.02704	1.2
150.05342	0.7
150.06424	1.7
150.09048	0.9
150.59544	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.05518	9.1
64.92799	3.3
65.03934	2.4
67.05500	3.2
69.07080	2.2
69.69514	6.8
76.05700	1.1
79.05499	6.1
81.07071	2.3
84.04515	12.7
84.08147	3.1
91.05490	48.7
91.71478	1.1
93.07054	2.2
95.04969	1.6
103.05447	3.8
105.07045	92.0
106.07400	1.5
106.90501	2.3
107.08609	4.6
117.07035	8.3
119.04954	19.1
119.08595	100.0
120.08096	1.2
123.96474	9.6
125.79593	1.1
125.96231	1.2
130.04985	4.9
131.08502	1.5
132.09344	5.4
145.10123	7.1
147.04449	14.3
147.08080	3.7
147.11702	89.7
148.12091	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.06
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
53.03955	4.4
55.01889	4.8
55.05500	0.9
56.74898	0.9
59.09171	0.7
65.03949	9.3
68.99801	33.1
69.03427	1.9
69.07073	1.0
70.71043	2.5
71.01242	0.8
77.03935	1.8
79.05506	16.5
80.02653	0.9
81.07070	27.1
86.31424	0.9
91.04926	0.7
91.05491	16.8
93.03398	2.5
93.07055	36.2
95.04993	3.8
103.05486	16.7
105.04510	2.8
105.07048	5.9
107.04960	6.2
107.08601	7.0
109.06515	0.9
111.04494	1.3
121.02888	11.6
121.03995	3.9
121.06522	42.3
121.10159	7.5
129.07025	0.9
131.04955	3.6
131.08597	5.2
133.06522	1.5
134.03625	0.8
134.07274	3.6
140.10519	0.9
145.36092	0.7
149.02376	31.4
149.06003	100.0
149.09636	34.7
149.13307	1.5
150.06372	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	147.117
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03940	1.2
55.01886	0.9
55.05515	13.1
58.80729	0.8
59.76073	0.8
62.21904	0.7
64.92810	1.3
65.03919	2.4
67.05519	2.9
69.07064	3.9
77.03919	1.2
79.05491	6.6
81.07067	2.0
84.04504	5.2
84.08156	1.5
91.05486	42.9
93.07041	3.0
98.05211	1.0
103.05491	2.4
105.07036	100.0
106.07337	1.5
107.08592	2.0
117.07019	6.6
119.04947	25.3
119.08585	68.1
120.08924	1.6
123.96510	4.0
130.05014	2.1
131.08612	1.2
132.09369	1.9
136.81432	0.8
140.20255	0.8
145.10147	6.3
147.04408	18.5
147.05527	1.6
147.08058	10.8
147.11691	88.5
148.12067	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
50.60953	0.6
53.03960	1.2
55.01872	0.9
55.05517	12.1
56.05814	0.6
58.54559	0.6
60.13963	0.7
63.94472	0.6
64.92818	0.8
65.03949	0.9
67.05502	2.4
69.07067	2.6
71.43714	1.2
79.05499	6.1
81.07059	1.8
84.04521	1.3
91.05485	26.2
93.07040	3.0
103.05471	1.6
105.07039	100.0
106.07336	1.4
107.08614	2.5
117.07018	5.8
118.07801	0.9
118.11891	0.6
119.04966	5.8
119.08589	69.3
120.08923	1.2
123.53148	0.7
123.96464	3.5
129.07016	0.7
130.05035	1.2
131.08565	1.4
132.09361	1.9
145.10124	6.7
146.97943	0.6
147.04460	5.5
147.08069	7.6
147.11697	86.7
148.12047	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
52.36259	0.9
55.05505	3.8
65.03938	2.0
67.02045	0.8
70.70055	1.7
76.30629	0.8
79.05515	1.9
84.04506	7.2
84.08136	1.3
91.05488	37.1
93.07028	1.1
93.71690	1.0
103.05442	1.2
104.06265	1.2
105.07038	27.9
107.04943	1.1
107.08599	18.0
116.03735	0.9
117.07022	6.5
119.04120	1.5
119.04945	21.6
119.08586	100.0
120.08943	2.0
123.96444	2.8
129.06984	1.7
130.05032	2.7
131.08591	2.5
132.05772	1.3
132.09372	2.7
137.00838	1.0
145.10120	5.1
147.04425	14.5
147.08038	9.6
147.11694	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03947	8.4
70.78088	1.1
71.66709	0.4
84.04504	1.2
91.05487	80.7
92.05827	0.9
103.90820	0.5
119.04948	100.0
120.05271	1.9
144.39528	0.4
147.04419	61.5
148.04720	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03933	2.4
55.05273	1.2
55.05515	15.6
64.92814	4.7
65.03941	1.9
67.05495	2.8
69.07059	3.5
70.70693	2.4
75.89639	0.9
79.05492	8.0
81.07069	2.8
84.04494	3.2
84.08150	1.7
88.02309	0.9
91.05483	49.5
92.05809	1.8
93.07047	5.0
100.07143	1.0
101.05117	1.2
102.22495	1.1
103.05473	3.5
105.07038	88.4
106.07293	1.2
107.04966	8.8
107.08620	4.6
107.84867	0.9
117.07034	10.9
119.04945	15.7
119.08589	100.0
120.08877	1.1
123.96452	11.6
128.06166	1.0
129.06993	1.2
130.05026	1.2
130.07780	1.1
132.05693	3.9
132.09372	2.8
136.67203	0.9
145.10144	3.7
147.04440	9.5
147.05493	1.9
147.08061	31.7
147.09181	1.5
147.11693	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21806	5.2
61.61094	4.8
65.03909	5.6
66.35398	5.5
69.66888	29.1
84.04496	13.5
85.98322	4.6
91.05476	82.4
98.20855	10.6
105.07010	8.7
119.04941	100.0
119.06857	5.5
119.08582	6.9
123.96474	5.4
130.05000	6.5
147.04417	70.4
147.11676	11.7
169.67120	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	147.0436
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
84.04498	7.2
91.05488	86.7
105.07026	19.2
117.07027	6.0
119.04947	100.0
119.08576	33.6
123.72044	4.0
137.65204	5.3
147.04413	65.7
147.11702	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	147.0437
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
57.02834	3.8
65.03934	6.3
72.40769	3.5
76.27248	3.8
86.99472	4.4
87.01323	3.9
89.28420	3.9
90.80235	3.8
91.05493	57.7
98.21564	5.8
100.58626	4.3
105.07111	3.8
108.48678	3.8
119.04956	100.0
119.08624	4.0
133.85278	4.7
147.04431	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	11.1
75.98760	6.2
84.04471	9.9
91.05476	88.2
101.18721	6.2
119.04944	100.0
147.04398	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03377	22.8
88.18318	6.6
91.05493	71.2
99.42571	6.7
101.63620	5.8
105.07066	7.2
118.97444	7.9
118.98433	6.3
119.04949	100.0
119.08594	11.8
147.04437	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81148	4.1
65.03921	11.2
86.31691	4.0
91.05483	81.2
98.20746	12.2
100.14371	3.9
119.04942	100.0
147.04405	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.5
56.05038	2.2
67.05511	13.5
70.06606	3.5
70.10256	2.5
71.04996	1.6
81.07051	1.6
84.08149	80.4
85.06568	1.0
85.08468	0.8
85.89198	0.5
97.08949	1.0
98.09707	3.6
109.10154	3.7
126.12801	57.1
127.13133	0.9
144.13844	100.0
145.14172	1.7
146.60687	0.5
151.44092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1384
Annotation	Conhydrine
Peak:m/z	Relative Intensity
55.05510	1.9
55.64210	0.2
56.05036	3.2
57.01542	0.2
58.06599	0.2
65.03947	0.4
67.05508	14.9
69.07054	0.3
69.63991	0.2
70.06207	0.2
70.06595	3.9
70.65350	0.5
71.04994	1.6
72.08142	0.3
73.98910	0.2
81.07059	1.7
83.08635	0.4
84.08146	87.0
85.06554	0.5
85.08492	0.4
96.08150	0.5
97.08930	1.1
98.09695	4.0
100.11284	0.2
107.08618	0.3
109.10156	3.1
115.80666	0.2
126.12798	55.2
127.13139	0.5
144.13838	100.0
145.14230	0.8
152.06216	0.2
153.15302	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81430	2.3
60.95857	16.2
70.89819	4.8
70.90150	3.1
75.94576	3.2
78.35023	2.3
79.26695	2.8
83.99936	2.5
84.08151	8.2
99.04427	2.5
101.00877	5.7
102.00948	13.9
102.96185	4.8
102.96874	100.0
103.00647	23.1
119.01933	12.5
120.02009	32.7
120.97917	40.0
121.01675	39.9
121.02467	3.2
137.02916	3.0
138.03055	3.8
138.98964	6.5
139.02727	6.8
142.03500	5.2
144.03241	20.1
144.13834	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	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
50.12868	1.2
55.05510	16.8
55.52411	1.8
57.07082	14.2
59.04995	2.6
65.03929	2.6
67.05512	11.3
69.03441	9.6
69.07063	3.1
69.23173	10.9
70.06577	1.5
71.04996	100.0
73.06557	12.8
79.05488	4.0
81.07050	5.3
83.04980	10.5
83.08624	10.3
84.08157	7.5
85.06545	43.1
85.08456	1.4
91.05456	1.2
94.56751	1.2
97.02889	12.4
97.10172	12.9
98.06062	2.5
98.21561	2.9
101.95026	1.8
105.07053	2.1
107.08595	34.3
109.06583	1.4
110.87102	1.3
125.02361	17.7
125.09629	22.8
126.12771	5.5
128.06209	3.2
137.04254	1.2
143.03401	62.0
143.08672	1.3
143.10680	5.5
144.13866	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	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.0
55.05517	13.8
57.07086	10.9
59.05003	3.7
67.05506	10.0
69.03434	11.4
69.07076	3.1
70.06590	2.3
71.04997	65.7
73.06571	7.3
79.05485	3.3
81.07044	3.6
83.04966	7.7
83.08630	6.9
84.08143	20.1
85.02882	1.6
85.06083	2.5
85.06549	29.1
89.95901	1.3
91.05450	1.4
92.83948	1.3
97.02909	18.0
97.06543	4.1
97.10162	12.1
98.06068	5.3
98.09732	2.0
98.20732	3.5
101.95026	2.1
107.08597	20.8
125.02355	30.0
125.07025	1.3
125.09644	14.3
126.12811	11.2
128.06235	5.0
143.03401	100.0
143.08514	2.2
143.10687	4.6
144.03757	1.7
144.13834	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	143.1069
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.01872	2.4
55.05519	13.4
57.07079	13.2
59.05009	3.5
60.14098	1.5
67.05505	8.9
69.03447	12.2
69.07068	4.9
70.06578	2.5
70.11132	1.4
70.95645	2.9
71.05003	82.9
73.06561	10.0
79.05498	5.4
81.07047	4.0
83.04993	7.4
83.08617	8.0
84.08160	18.2
85.02936	2.5
85.06558	34.6
85.08514	1.5
86.06869	1.9
88.22312	1.4
91.05441	1.8
97.02898	17.9
97.06541	3.0
97.10190	16.2
98.06058	3.4
104.88010	1.4
107.08611	28.5
115.48809	1.5
125.02370	26.5
125.09643	21.9
126.12791	11.9
128.06247	7.5
143.03419	100.0
143.08524	2.7
143.10706	5.7
144.06546	1.6
144.13869	15.9
161.60526	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.01871	1.5
55.05273	1.3
55.05513	21.7
57.06842	1.2
57.07079	16.8
59.04979	3.4
67.05510	9.9
67.48022	1.0
69.03427	9.2
69.07060	3.6
69.63169	6.1
71.04996	100.0
73.06553	11.3
79.05485	3.5
81.07037	4.4
83.04972	8.8
83.08626	9.6
84.08138	4.2
85.06548	49.7
91.05470	1.8
97.02883	4.7
97.10169	19.3
104.07344	1.1
107.08595	38.4
125.02342	9.4
125.09628	28.7
126.12731	1.3
128.06219	1.4
129.05330	0.9
140.66925	1.1
143.03409	23.7
143.10667	9.6
144.13844	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	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.01866	2.3
55.05514	20.5
55.48857	1.7
57.07077	15.0
59.04987	2.4
65.03952	1.9
67.05515	10.3
69.03430	14.6
69.07062	3.4
69.62576	2.8
69.62988	8.5
70.06594	1.8
71.04994	97.8
73.06555	12.6
79.05479	3.8
81.07056	3.5
83.04968	10.9
83.08624	10.8
84.08133	12.6
85.02902	3.6
85.06547	43.6
85.09459	1.9
91.05484	3.1
97.02896	21.6
97.10180	14.3
98.06062	3.9
101.95005	2.6
107.08595	34.7
125.02363	26.2
125.09630	22.5
126.12814	5.0
128.06180	4.8
143.03404	100.0
143.08473	1.9
143.10698	8.3
144.04747	2.5
144.06555	3.2
144.13869	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66711	3.6
59.25719	4.0
69.44824	4.0
71.01104	5.0
71.01438	6.2
74.89566	3.7
82.99847	9.6
89.68375	4.1
100.97172	4.3
101.00893	50.6
103.69382	3.9
112.69975	3.7
119.01932	100.0
124.02462	5.5
124.94936	4.1
137.02943	20.5
142.03519	38.7
160.04594	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	143.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95142	76.0
70.96642	4.2
70.96980	2.7
91.19739	2.0
99.53522	2.7
101.00894	22.4
101.97133	4.9
101.97754	41.9
101.98387	4.1
102.00981	4.3
119.01920	43.8
119.98797	100.0
120.02009	11.9
137.03001	6.5
137.99835	51.3
139.02580	2.4
143.03680	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	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68913	0.5
56.96301	0.9
56.96567	13.4
61.65609	0.5
70.41776	1.4
70.42133	0.8
71.95265	4.8
75.11800	0.6
98.97586	100.0
111.10516	0.7
112.11229	0.5
114.19952	0.6
116.98624	36.0
134.99660	7.5
140.00180	0.8
140.14346	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	138.0914
Annotation	Hydroxyphenethylamine
Peak:m/z	Relative Intensity
53.03932	1.3
54.84753	0.4
56.96529	0.4
64.23512	0.5
69.34445	0.4
71.05080	0.8
72.07471	0.4
77.03919	0.5
91.05486	5.9
93.07043	13.1
93.07634	0.6
95.04952	1.3
103.05468	9.5
105.04518	0.6
121.06505	100.0
122.06847	1.3
126.82319	0.4
138.05478	0.9
138.12817	0.9
141.41919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41796	0.5
54.98631	0.7
55.22972	0.4
56.96301	1.0
56.96569	14.7
70.50580	1.3
70.50905	0.5
71.95267	5.6
98.97592	100.0
100.78245	0.5
116.98628	37.9
119.45576	0.5
129.41594	0.5
134.99664	8.1
140.00221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	3-pyridineacetic acid
Peak:m/z	Relative Intensity
53.03956	1.0
55.01877	0.7
55.05507	0.6
56.83103	0.3
56.96572	1.8
65.03947	3.8
67.05514	2.4
68.05029	0.7
68.05884	0.3
68.97369	0.3
69.03423	0.4
69.07082	0.6
70.06604	1.1
71.51766	0.4
72.08163	0.8
79.05492	0.5
81.07042	0.5
82.06583	1.9
82.07414	0.4
83.04991	0.5
83.17648	0.3
84.08136	4.5
91.05486	2.3
92.05005	16.2
93.03415	0.7
93.05792	0.6
93.07050	5.0
94.02982	0.4
94.06573	2.5
95.04984	2.2
95.07374	0.8
95.08609	0.9
96.04488	1.2
96.08123	1.0
97.06534	0.9
98.98470	0.9
99.80090	0.4
103.05463	2.4
104.14063	0.3
105.04502	0.5
108.08170	0.6
110.06046	5.8
110.09685	3.3
110.10439	0.5
111.04420	1.8
111.08120	0.6
115.01154	0.4
118.97070	0.3
120.04466	100.0
120.08118	1.2
121.02876	1.3
121.04052	0.7
121.04830	1.6
121.06504	29.9
122.06831	0.4
123.06776	0.7
123.10416	0.4
125.74816	0.3
130.08659	0.5
138.01730	1.3
138.05493	15.7
138.06378	1.0
138.09131	10.9
138.12773	3.5
139.03909	0.6
139.07530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
52.31998	1.0
53.03941	3.3
55.01865	2.2
55.05521	6.5
57.07078	12.7
59.51710	0.8
62.47491	1.0
65.03934	1.3
66.04715	1.1
67.05511	35.3
69.03425	2.9
69.07073	8.1
70.61957	2.0
77.49762	0.9
79.05501	15.1
81.03405	2.1
81.07060	89.7
82.06580	1.1
88.12127	0.9
91.05490	12.3
93.07050	13.5
94.04198	7.5
95.04984	6.1
95.08614	100.0
96.08923	1.8
107.04953	1.2
107.08574	1.9
108.09401	1.1
109.02840	1.0
109.06540	9.4
109.10165	19.4
109.10930	1.0
110.06033	1.6
110.09705	1.9
119.04937	1.9
119.08545	2.1
120.04530	1.3
121.06496	5.2
122.03664	10.0
122.07281	2.9
129.22023	0.8
137.02510	6.2
137.05846	29.0
137.09625	17.4
137.10611	1.2
137.12204	1.2
137.13263	20.4
138.05525	2.8
138.09126	2.1
138.12769	3.1
152.97313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03937	1.6
55.05513	4.3
57.07078	9.5
65.03941	0.8
65.98662	0.8
66.08103	0.7
67.05507	23.3
69.03421	2.4
69.07072	10.3
71.06171	1.8
71.08648	1.0
79.05490	10.0
81.07059	74.3
91.05486	3.6
93.07055	6.8
94.04198	2.6
95.04964	1.4
95.08610	100.0
107.08610	1.3
109.06515	1.8
109.10168	9.0
116.36043	0.7
119.04987	0.8
121.06536	2.0
121.12256	0.8
122.03669	4.1
122.07314	2.0
131.56570	0.8
137.02441	1.1
137.05875	9.0
137.09644	4.8
137.13249	19.9
138.05434	1.2
138.12775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03002	0.6
53.03938	1.9
54.26978	0.5
55.05508	2.6
57.07082	1.1
64.68020	0.6
65.03934	1.9
66.04722	0.6
67.05507	24.6
67.57697	0.6
68.99776	0.6
69.03432	5.2
69.07051	1.8
69.67332	1.4
69.67747	1.7
79.05496	8.1
81.03421	1.3
81.07059	29.2
82.06580	0.6
88.39195	0.6
91.05487	14.1
93.07057	6.8
94.04180	2.4
95.04951	3.8
95.08614	16.2
102.44934	0.5
103.05453	1.4
107.04955	10.6
107.08620	1.8
109.06537	4.7
109.10162	31.4
117.07042	1.5
117.65730	0.6
119.04928	1.4
119.08582	12.9
121.06512	7.5
122.03687	4.0
122.07290	65.8
123.07607	1.1
135.08078	3.4
137.02576	2.7
137.03494	0.6
137.05833	13.0
137.09622	100.0
137.13234	2.4
138.05502	1.3
138.09026	1.0
138.09953	1.6
138.12770	0.9
158.60304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
52.60507	0.6
53.03933	1.8
55.05502	1.1
55.78014	0.5
57.07069	0.9
58.50745	0.5
64.71748	0.5
65.03944	0.5
67.05509	20.8
69.03427	1.0
69.07067	1.1
70.63491	1.4
79.05484	4.1
81.07060	13.0
91.05483	9.7
93.07063	4.0
94.04199	1.4
94.07819	0.7
95.04966	2.2
95.08611	11.1
99.22702	0.7
103.05470	1.3
104.06248	0.9
107.04970	10.7
107.05647	1.2
107.08573	1.5
109.06522	2.5
109.10168	28.1
117.07034	0.8
119.04876	0.7
119.08585	12.5
121.06505	7.8
122.03665	2.3
122.07294	65.1
123.07610	0.7
135.08101	2.8
135.08990	0.6
137.02451	1.4
137.05997	5.1
137.09627	100.0
138.05501	0.8
138.09956	1.7
138.12756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03954	0.9
55.01867	0.7
55.05511	1.7
56.01651	0.6
57.07064	0.9
65.03931	0.9
66.40345	0.6
67.05515	19.8
67.71037	0.6
69.03431	1.1
69.07066	2.2
79.05496	2.7
79.98605	0.7
81.07064	16.6
82.29487	0.6
84.51355	0.6
91.05485	7.6
93.07051	4.0
94.04200	1.9
95.04979	1.8
95.08617	17.6
103.05476	0.8
104.06222	0.7
107.04959	9.5
107.08588	1.2
109.06500	1.3
109.10166	28.4
117.07001	1.6
119.08584	11.7
121.06535	5.7
122.03671	2.7
122.07297	59.9
125.50375	0.5
129.33998	0.6
135.08061	2.7
137.05974	7.7
137.09628	100.0
137.13216	3.5
138.09979	1.9
138.12761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03949	0.8
54.54266	0.2
55.01878	0.4
61.48596	0.2
65.03935	1.0
65.22110	0.2
66.04726	3.4
67.05513	0.7
69.72647	1.0
77.03951	0.5
78.19130	0.2
79.05498	3.2
81.07066	1.4
91.05489	2.9
93.07059	0.2
94.04192	28.6
95.04461	0.2
95.04980	0.5
95.08611	0.3
105.03387	0.5
105.04523	0.2
107.04961	1.2
109.06549	0.8
113.68499	0.2
121.06451	0.2
122.03657	48.0
123.03979	0.3
135.04388	0.6
137.05981	100.0
138.05544	0.2
138.06337	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02402	0.3
51.46922	0.2
53.03965	0.6
55.01889	0.7
55.05538	0.6
57.53187	0.3
59.73895	0.3
64.65324	0.3
65.03954	0.9
66.04714	2.4
67.05501	4.9
69.03429	0.4
69.07073	0.3
70.41211	1.0
77.03970	0.7
79.05492	4.4
81.03427	0.4
81.07058	6.7
87.52267	0.3
91.05488	5.2
93.07041	1.7
94.04187	23.8
95.04460	0.4
95.04993	1.4
95.08610	4.6
105.03407	0.8
105.04504	0.3
107.04962	3.1
109.06535	2.0
109.10162	4.5
110.09657	0.5
119.04947	0.5
119.08607	1.7
119.93621	0.3
121.06507	1.4
122.03650	41.3
122.07276	5.9
123.03978	0.4
123.06788	0.3
135.04437	0.3
135.08083	0.3
137.05969	100.0
137.09595	12.0
137.13214	0.5
138.05460	0.7
138.06340	1.0
138.09082	0.5
138.12741	0.8
155.78864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
52.75101	0.4
53.03941	0.5
53.12143	0.4
65.03954	0.5
66.04717	2.2
67.05495	0.5
70.01392	1.7
77.03917	0.4
79.05491	3.5
81.07049	1.2
91.05481	2.3
94.04192	24.4
95.04958	0.6
107.04974	1.3
118.22641	0.4
122.03658	46.5
123.03995	0.7
135.04410	0.4
137.05984	100.0
138.06340	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03977	0.9
55.01892	0.4
55.05542	0.3
65.03921	1.4
66.04726	2.8
67.05505	2.8
69.03463	0.3
70.79612	0.7
72.83586	0.3
76.40186	0.2
77.03945	0.8
78.20891	0.2
79.05498	3.4
81.03428	0.4
81.07058	4.1
89.16333	0.2
91.05481	4.8
91.06010	0.3
93.07016	1.6
94.04189	24.9
95.04987	1.4
95.08626	2.1
99.77921	0.3
105.03409	0.3
106.80109	0.3
107.04959	1.3
109.06499	1.9
109.10157	0.9
110.09654	0.5
119.04965	0.5
121.06515	1.1
122.03653	45.7
122.07301	0.8
123.03978	0.4
124.96838	0.2
135.04385	0.4
137.02565	1.4
137.05971	100.0
137.09515	2.4
138.05452	0.6
138.06322	1.2
138.09113	0.4
138.12787	0.6
153.65692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
60.78670	0.2
67.02970	0.3
69.91463	0.4
69.91863	0.4
74.93522	0.2
76.31326	0.2
92.02509	0.3
94.04050	2.6
96.51739	0.2
98.21480	0.2
109.05116	0.4
112.05047	0.2
114.07905	0.2
118.91924	0.2
119.03558	8.0
121.47932	0.2
136.06190	100.0
137.04596	2.8
137.06522	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03950	5.5
55.01886	1.0
55.05515	6.9
57.07069	0.9
64.90154	0.5
65.03945	2.0
67.05508	3.0
69.07079	2.6
77.03939	0.8
79.05495	19.9
81.07054	3.7
91.05484	31.1
92.02631	0.6
93.07046	45.5
94.07845	1.0
95.04969	5.0
95.08562	0.6
99.93401	0.5
103.05511	0.8
104.06261	0.8
105.04552	2.6
105.07033	16.5
106.04082	0.5
107.04974	3.4
107.08596	100.0
108.08926	1.3
109.06529	4.4
115.05458	1.1
117.07001	2.5
118.06586	0.6
119.03532	1.7
119.06091	3.6
119.08578	8.6
120.09351	2.9
133.10114	0.8
135.04454	5.4
135.05370	1.0
135.06543	0.6
135.08087	5.3
135.09044	0.9
135.11691	29.5
136.02177	5.0
136.06184	21.1
136.07466	0.9
136.07637	0.9
136.12064	0.7
137.04620	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52332	0.2
55.36977	0.2
71.50443	0.2
90.85951	0.2
92.02499	0.4
93.57441	0.2
94.04057	2.4
94.97872	0.2
108.53594	0.2
109.05150	0.4
119.03558	8.1
119.63556	0.2
133.93362	0.3
136.06189	100.0
137.04596	3.0
137.06566	0.7
147.60168	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.42377	0.9
53.03934	4.1
55.01872	3.7
55.05518	4.6
55.15000	0.9
60.21461	0.9
65.03935	3.2
67.05498	4.3
69.03423	2.3
69.07070	2.6
73.05406	1.0
79.05504	31.0
81.07062	3.5
91.05491	47.0
93.07053	50.9
94.04077	2.1
95.04989	5.5
104.06232	1.0
105.04485	2.0
105.07040	20.6
107.04968	18.8
107.08602	100.0
108.08936	1.4
109.06544	5.5
115.05489	6.3
117.07037	10.0
119.03575	2.0
119.06078	4.2
119.08583	16.5
120.09406	4.8
133.10071	1.2
135.04443	4.2
135.05435	1.4
135.08072	23.8
135.09019	1.0
135.11703	43.9
136.02174	11.0
136.06201	43.7
137.04602	2.0
147.09163	1.2
148.32547	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.2
53.88118	1.5
55.01877	3.0
55.05514	12.3
61.43348	1.2
62.32668	1.2
65.03931	2.4
65.41518	1.2
67.05498	4.3
69.03426	2.2
69.07058	5.9
70.90823	1.5
70.91139	1.8
77.03916	1.7
79.05025	2.7
79.05491	35.2
79.77052	1.3
81.07054	3.9
91.05483	47.1
93.07049	68.8
95.04987	6.8
105.04528	2.9
105.07031	20.1
107.04944	3.9
107.08595	100.0
109.06519	6.2
115.05461	5.4
117.07069	7.6
119.03556	2.9
119.06087	2.9
119.08597	12.7
120.09389	3.6
133.10088	1.4
135.04466	9.9
135.05382	2.4
135.08057	18.9
135.10710	2.7
135.11694	41.4
136.02158	8.5
136.03871	1.6
136.05156	3.0
136.06189	44.7
136.07442	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.23772	0.5
53.03949	3.2
55.01862	1.0
55.05517	5.7
57.07082	1.5
59.39091	0.5
65.03945	1.5
67.05502	1.6
69.07065	2.0
69.56628	3.4
73.09237	0.6
77.03933	1.2
79.05498	15.9
81.07067	2.6
91.05486	34.9
93.07049	45.5
95.04983	3.8
95.08618	0.8
98.20728	0.6
102.73990	0.5
103.05457	0.9
105.04521	2.1
105.07039	16.3
106.04174	1.5
106.07852	1.1
107.04967	3.8
107.08599	100.0
108.08935	1.3
109.06519	4.9
111.80131	0.7
115.05444	0.9
117.07054	2.6
119.03585	0.5
119.06094	3.8
119.08583	15.2
119.09374	1.1
120.09383	4.2
133.10135	1.4
135.04420	2.4
135.05508	1.2
135.08122	4.6
135.11697	44.9
136.02205	1.6
136.06195	8.2
136.07300	0.7
136.07523	0.5
137.09705	0.8
147.09210	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01871	1.5
55.05515	7.5
57.07074	0.6
65.03949	1.6
67.05517	3.6
69.07074	3.7
70.90296	0.5
71.51813	0.8
77.03909	0.7
79.05499	23.1
81.03438	0.7
81.07059	3.5
91.05486	26.2
92.06292	0.7
93.07047	56.5
94.07856	0.9
95.04961	2.8
105.04532	2.6
105.07037	10.9
106.07857	0.6
107.04959	3.1
107.08598	100.0
108.08937	0.9
109.06525	3.8
114.51743	0.5
115.05457	1.3
115.36673	0.5
117.07026	1.9
119.06075	3.2
119.08617	4.2
119.19625	0.6
120.09361	1.3
129.94655	0.6
135.04420	1.6
135.08084	9.2
135.11699	28.5
136.02180	2.6
136.06194	14.0
136.07626	1.0
137.04564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.48148	1.3
53.03936	7.3
55.01863	2.1
55.05514	9.0
57.18649	1.4
62.86377	1.5
65.03938	3.1
67.05514	45.7
69.07070	9.3
70.62811	3.4
74.29090	1.3
75.60136	1.3
79.05499	57.5
81.07066	27.0
84.43479	1.4
91.05486	27.6
93.07051	85.1
94.04073	2.5
95.04953	4.7
105.04487	2.2
105.07040	9.0
107.04987	7.2
107.08605	59.9
109.06562	1.6
117.07040	3.4
118.06561	1.5
119.03566	6.1
119.06103	2.5
119.08596	6.6
120.09381	2.1
135.04436	8.7
135.05531	5.0
135.06532	2.4
135.08083	16.3
135.09058	3.2
135.11705	68.8
135.12740	3.4
136.02193	19.4
136.06194	100.0
137.04588	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.66464	0.5
50.79867	0.5
53.03950	4.9
55.01860	1.0
55.05511	9.4
57.07066	1.9
61.11253	0.7
65.03931	1.2
65.76934	0.6
67.05492	2.0
69.07065	2.9
69.44277	4.8
72.68317	0.6
79.05492	18.7
81.07067	2.9
91.05482	37.1
93.07043	51.7
94.07851	0.9
95.04964	3.7
95.08610	1.3
105.04507	2.2
105.07034	17.9
106.07840	0.8
107.04940	1.5
107.08592	100.0
108.08912	1.4
109.06499	4.5
115.05463	1.0
117.07000	1.6
119.03600	0.8
119.06078	3.1
119.08572	9.2
120.09380	3.8
123.25101	0.6
133.10152	1.4
135.04411	1.8
135.05415	0.7
135.08084	3.8
135.11691	40.3
136.02202	3.2
136.06180	13.0
147.09259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03943	2.8
53.17428	0.8
55.05524	7.3
57.07081	1.1
65.03941	1.5
67.05505	2.1
69.07075	3.3
71.02315	1.8
77.03913	1.4
79.05506	16.3
81.07059	3.0
91.05492	26.1
93.07054	40.9
93.07644	2.1
95.04972	2.3
105.07042	14.2
107.08608	100.0
108.08897	1.2
109.06533	4.1
119.06070	3.4
119.08600	6.9
120.09367	2.2
135.07965	1.1
135.11713	26.8
136.06189	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.67995	1.5
53.03936	5.5
55.01884	2.3
55.05516	9.1
65.03957	1.4
67.05511	45.5
67.41180	1.5
69.07066	9.2
70.30405	1.6
71.51966	1.7
79.05499	59.5
81.07063	25.3
89.15236	1.5
91.05482	33.0
93.07049	89.2
94.04067	2.2
95.04992	4.1
97.15054	1.8
103.05504	1.6
105.04508	1.9
105.07028	9.2
107.04966	10.4
107.08604	68.8
113.15970	1.4
116.77685	1.3
117.07006	2.4
119.03558	7.8
119.08600	6.7
120.09353	1.9
135.04427	7.3
135.05569	3.9
135.08069	17.6
135.09077	2.6
135.11702	76.3
136.02184	19.7
136.06192	100.0
136.11195	1.6
137.04622	3.9
151.34129	1.4
152.32840	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03748	0.8
53.03950	9.3
55.01871	1.0
55.05515	11.5
57.07078	1.6
57.49389	0.8
65.03935	1.3
67.05508	4.0
69.07076	5.1
69.82983	3.0
72.90617	0.7
77.03928	1.8
79.05498	38.8
81.03425	1.2
81.07041	3.2
84.01785	0.7
91.05487	40.5
91.53635	0.9
91.67904	0.7
93.07049	95.4
94.04092	0.9
94.07351	2.1
95.04987	5.8
95.47865	1.1
97.02183	0.8
99.36619	1.0
103.05504	0.9
105.04524	2.7
105.07033	14.5
107.04945	4.5
107.08598	100.0
108.08949	1.1
109.06525	4.6
117.07013	1.5
119.03563	1.9
119.06058	3.3
119.08592	10.7
120.09367	3.8
133.10109	1.0
135.04416	1.9
135.08064	4.9
135.11697	44.0
136.02151	3.9
136.05183	1.0
136.06197	19.4
136.07263	1.5
136.07674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49726	0.7
53.03952	4.1
55.01875	1.3
55.05513	8.4
64.86186	0.7
65.03941	2.2
66.88845	0.7
67.05502	2.7
69.07071	3.4
69.74383	4.1
72.97812	0.7
75.64133	0.6
79.05494	19.2
81.07057	3.3
91.05481	30.4
93.07045	42.7
94.07854	0.8
95.04980	2.5
100.05347	0.7
105.04540	1.3
105.07030	16.5
105.07695	1.5
107.04947	3.7
107.08597	100.0
108.08924	1.0
109.06543	3.7
115.05417	1.0
117.07027	1.8
119.03529	2.2
119.06062	3.1
119.08585	8.2
119.68767	0.7
120.09354	2.6
121.23521	0.8
133.10117	1.3
135.04413	4.0
135.05470	1.6
135.08040	6.2
135.09059	1.6
135.11696	31.8
136.02173	7.2
136.06180	26.4
136.07671	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.05508	5.0
57.07081	2.0
65.03941	2.2
67.05510	1.8
69.07079	1.5
69.38629	1.6
69.39050	4.0
79.05501	17.0
81.07072	2.6
91.05489	34.7
93.07055	46.9
95.04970	3.7
95.08633	1.5
105.04562	1.2
105.07043	18.0
107.04972	5.1
107.08607	100.0
108.08898	1.8
109.06529	3.2
115.05378	0.7
117.07036	2.2
119.03587	0.8
119.06100	3.8
119.08596	15.5
120.09386	5.2
133.10159	1.1
135.04420	2.8
135.06506	0.9
135.08084	3.3
135.11705	48.3
136.02155	3.7
136.06194	15.5
136.07629	1.8
137.28552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03938	3.0
55.01873	19.7
55.05510	2.2
60.30856	1.0
61.27320	1.1
62.13166	1.0
65.03938	9.2
67.05514	7.3
69.03433	19.0
70.37305	2.1
70.37659	2.7
75.11633	1.0
79.05494	59.8
80.05830	1.5
82.10624	1.1
82.48281	1.0
85.57850	1.1
91.05485	100.0
92.05771	1.8
92.06264	2.8
93.07047	17.9
94.04021	1.5
95.04985	8.3
105.04559	1.7
105.07040	38.7
107.04947	7.7
107.08600	76.3
108.08926	1.8
109.06519	12.2
115.05465	31.1
115.06280	1.6
117.07024	26.9
119.03562	2.7
119.06078	9.1
119.08588	3.5
120.05740	2.7
126.90714	1.2
135.04439	5.8
135.05475	2.0
135.08063	68.9
135.11676	6.3
136.02150	12.3
136.06190	55.6
137.04628	3.1
137.15244	1.2
146.05682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78541	7.8
56.96574	39.2
57.03440	14.9
67.68033	6.9
69.03439	9.1
70.66302	16.4
70.66651	8.7
71.95287	6.9
73.29458	6.7
74.02439	24.5
75.02785	8.3
87.02739	12.2
89.00801	13.2
89.04340	17.4
98.97590	100.0
103.00599	8.1
104.68502	7.4
112.01025	15.3
113.00883	11.5
116.98621	24.4
121.01581	42.7
123.49144	7.8
131.01913	24.7
136.06145	9.3
143.03630	11.3
144.03256	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0965
Annotation	Tranylcypromine
Peak:m/z	Relative Intensity
51.94094	0.6
53.03943	0.5
56.05041	1.1
58.01865	0.4
64.11932	0.3
71.52200	0.5
74.02428	1.9
79.05502	1.7
81.04524	0.4
83.93059	0.4
88.04008	1.4
91.05493	4.4
93.07047	4.0
95.05013	0.4
103.05473	1.7
105.07038	12.4
106.06553	2.0
106.07377	1.3
107.08570	0.9
112.02187	0.8
115.05466	0.8
116.69433	0.4
117.05702	0.4
117.07037	1.2
118.06552	6.6
119.07329	53.0
120.07675	0.6
123.07948	1.6
124.08276	1.0
129.53584	0.4
132.08073	0.6
133.08835	0.7
134.06087	2.5
134.09657	100.0
135.08105	0.5
135.09966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03944	0.8
54.03452	0.3
55.04245	0.4
55.05511	1.7
61.55427	0.3
66.05219	0.3
67.05514	0.4
69.27477	0.2
69.27784	2.3
70.06609	0.4
70.71532	0.3
71.02831	0.2
74.02438	0.3
76.79558	0.3
77.03915	0.4
79.05495	3.9
81.04527	1.3
82.05323	0.6
84.02250	0.3
84.38922	0.2
91.05481	12.4
93.07046	3.5
95.04955	0.5
103.05472	2.2
105.07030	39.6
106.07346	0.3
107.08588	1.0
112.02197	3.1
113.02991	1.6
115.05451	3.8
115.06193	0.4
116.06238	0.6
117.07017	5.0
118.07803	6.6
118.08597	0.5
122.07127	0.3
123.07928	4.9
124.05492	0.5
125.02924	0.3
126.03687	0.4
129.06982	0.4
131.08569	5.0
133.06479	1.9
133.10129	100.0
133.56104	0.2
134.10495	1.4
139.00290	0.2
143.03954	0.3
144.04774	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50558	0.4
52.67687	0.5
53.03915	1.8
55.01852	1.0
55.05476	1.4
59.14293	0.5
63.85135	0.4
65.03934	0.7
69.92711	2.0
74.02412	0.9
76.27595	0.4
77.03918	0.6
79.05070	0.6
79.05499	8.9
81.04540	0.9
82.05303	1.2
91.05489	14.3
92.05801	0.7
93.07058	3.7
95.04980	0.9
103.05486	4.4
105.07043	62.1
106.06599	0.5
106.07377	0.9
107.08602	1.0
110.40727	0.4
112.02197	3.4
113.02981	1.7
115.05461	4.2
116.06261	0.9
117.07011	5.3
118.07809	6.4
123.07977	6.2
124.05547	0.5
131.08585	7.1
133.06543	22.1
133.10144	100.0
134.10538	1.4
134.47746	0.4
144.04861	1.2
146.46593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03950	0.9
55.04260	0.7
55.05510	3.0
65.03932	0.8
67.05502	1.4
69.24155	4.8
70.06593	1.9
74.02456	0.7
74.80370	0.5
79.05495	4.9
81.04545	3.3
82.05335	1.4
85.01163	0.5
88.02229	1.3
91.05486	30.8
93.07042	1.2
95.04970	0.8
95.87698	0.5
103.05465	2.3
105.07036	100.0
106.07366	0.8
112.02182	6.6
113.03004	3.7
115.05447	1.4
117.07035	1.2
118.07828	1.0
123.07935	12.7
124.05417	0.8
126.03817	0.7
131.08582	5.1
133.06473	4.5
133.07541	0.8
133.10136	39.1
136.35536	0.5
144.04805	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	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03949	0.9
54.03475	0.5
55.01871	0.5
55.05523	1.8
55.86728	0.3
56.20257	0.3
58.33355	0.3
65.03943	0.4
67.05516	0.7
70.06614	0.5
70.79856	0.5
70.80204	0.7
74.02447	0.6
75.37003	0.3
79.05499	6.1
79.05920	0.6
81.04552	2.5
82.05328	0.8
87.10061	0.5
88.02233	0.6
91.05489	14.6
93.07051	4.1
95.04980	0.7
103.04787	0.5
103.05462	3.3
105.07037	55.2
106.07382	0.7
107.08590	1.0
112.02200	5.2
113.03004	2.4
115.05470	5.0
116.06231	0.8
117.07027	5.5
117.29440	0.3
117.30372	0.4
118.07814	5.9
123.07945	7.3
126.03761	0.4
129.53560	0.3
131.04945	0.4
131.08585	5.6
133.06569	11.7
133.10138	100.0
134.10478	1.9
134.77647	0.4
144.04774	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03947	1.0
55.05518	1.5
67.05516	0.6
69.27505	2.5
79.05490	4.0
81.04527	0.4
82.05338	0.4
91.05487	14.9
93.07047	3.2
98.20802	0.7
103.05480	2.1
105.07037	40.6
106.07350	0.7
107.08619	1.2
112.02185	1.5
113.02965	0.6
115.05465	3.9
116.06244	0.9
117.07027	4.1
118.07811	5.0
123.07916	1.7
129.06992	0.7
131.08578	7.2
133.06590	2.5
133.10136	100.0
134.10480	1.6
144.04825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1007
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03941	1.0
55.05513	1.9
65.47457	0.4
67.05468	0.5
69.93465	1.6
70.06539	0.3
71.64711	0.3
79.05495	4.5
81.04542	1.4
82.05302	0.6
89.46593	0.3
91.05486	13.3
93.07048	4.5
95.05007	0.6
103.05481	2.5
105.07036	41.1
106.06509	0.5
107.08596	1.1
112.02191	2.6
113.02967	1.4
113.52219	0.3
114.92764	0.3
115.05468	4.5
116.06210	0.7
117.07021	5.1
118.07816	5.8
122.07146	0.4
123.07927	3.3
129.07039	0.5
131.08563	5.6
133.06644	3.5
133.10136	100.0
133.56088	0.4
134.10497	1.7
144.04811	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03959	1.6
55.01675	0.3
55.01874	3.1
70.07594	0.7
71.90404	0.4
77.03939	0.4
79.05494	11.4
81.03419	0.3
81.04544	1.0
82.05324	0.5
91.05470	3.5
94.04174	0.3
95.05003	0.9
96.00804	0.3
98.01892	0.3
98.20586	0.3
98.89918	0.3
103.05470	8.1
105.07030	91.8
106.07363	0.8
107.04980	0.7
112.01582	0.3
112.02209	2.6
113.03006	1.9
115.05450	4.4
123.07946	4.4
124.05464	0.4
131.04961	0.9
131.08560	0.8
132.05643	0.4
133.06494	100.0
133.10106	5.1
134.06847	1.2
143.06021	0.4
144.04808	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
54.48326	0.5
57.02091	0.6
58.06596	0.7
69.07073	16.8
70.96194	1.2
70.96562	1.1
86.09710	100.0
87.10056	0.6
90.40059	0.5
132.10274	0.8
134.17168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1593
Annotation	Octylamine
Peak:m/z	Relative Intensity
56.05034	0.7
57.07080	42.8
69.03432	6.8
69.07056	1.8
69.93805	1.7
69.94213	0.7
72.08163	0.9
74.09724	34.6
78.74609	0.6
81.98944	0.5
82.06574	0.8
84.04515	11.0
84.08155	11.4
86.90834	0.6
92.16280	0.5
103.05451	0.8
112.07618	25.3
122.03927	0.6
130.05006	1.7
130.06534	4.1
130.08643	7.5
130.15927	100.0
131.16263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01598	0.3
51.02372	0.5
53.03949	2.4
55.01871	0.4
58.06592	0.2
59.66628	0.2
68.05024	0.2
69.03431	0.4
69.07058	1.3
69.93555	0.7
69.93973	0.4
70.06592	0.2
71.42095	0.2
77.03930	0.7
78.03439	0.3
79.05487	0.7
81.03440	0.3
86.06072	0.3
86.09705	10.5
87.02708	0.3
91.22044	0.2
95.04961	2.4
96.04491	0.6
103.05475	0.4
103.18607	0.3
104.04991	47.5
105.03390	0.9
105.04521	1.2
105.05286	0.3
105.07036	4.0
112.02192	0.3
112.09867	0.2
123.07936	0.7
130.04001	0.3
132.04454	100.0
133.04897	1.2
133.06496	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	127.112
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.03955	12.6
55.01871	9.4
55.05508	7.0
57.03430	3.9
58.06607	1.5
65.03931	2.6
67.01871	1.3
67.05511	54.0
67.93550	3.4
69.03418	4.3
69.07075	17.2
70.69800	2.3
70.70151	1.1
71.01351	0.9
71.05001	15.7
74.18164	1.0
79.05489	3.5
81.03423	24.8
81.07065	15.2
82.02932	1.0
82.06574	2.0
83.08625	6.3
84.08150	10.8
85.06544	2.8
99.04454	11.7
109.02888	34.4
109.06515	3.1
109.10162	34.8
127.03927	100.0
127.07497	2.4
127.11207	3.3
127.13120	1.3
128.04280	1.3
128.07091	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	126.1279
Annotation	Tropane
Peak:m/z	Relative Intensity
55.05503	2.8
56.05042	3.9
65.03940	0.7
67.05507	9.7
70.06595	3.9
70.80789	1.6
70.81149	0.9
72.33423	0.6
81.07048	2.4
84.08147	44.1
85.08455	0.6
85.39129	0.6
96.84699	0.6
97.08913	3.2
98.09692	7.4
103.05201	0.7
106.26508	0.8
108.96614	0.6
109.02859	1.2
109.10152	1.8
117.50061	0.6
118.46674	0.6
126.05551	1.0
126.12798	100.0
127.03931	1.4
127.13132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.128
Annotation	Tropane
Peak:m/z	Relative Intensity
53.53652	0.4
55.05502	1.7
56.05045	2.4
65.02805	0.4
67.05511	6.7
69.07066	0.8
70.06603	3.4
71.50437	0.5
71.50850	0.6
81.07054	1.4
81.36411	0.5
83.07359	0.8
84.08147	19.8
87.61295	0.5
97.08922	3.3
98.09708	8.5
98.56611	0.4
103.00639	0.8
109.10159	1.7
121.01690	1.5
126.12799	100.0
127.13109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.3
53.03949	0.5
54.67694	0.3
55.01873	0.5
55.05521	0.7
56.05037	2.2
56.83438	0.3
66.03471	6.6
67.05505	0.6
67.93559	0.3
69.03430	0.9
70.06598	0.8
70.58826	0.3
70.59161	0.6
71.05001	0.4
80.05035	0.6
81.03421	1.2
81.07069	0.8
84.04507	0.9
84.08148	2.6
94.02936	100.0
95.03257	0.9
98.06036	0.4
98.09692	0.5
99.04454	2.5
101.25149	0.3
107.06148	0.3
107.76581	0.3
108.04489	1.9
109.02892	1.6
112.03995	0.4
126.05525	17.9
126.09151	1.2
126.12792	4.6
127.03935	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	126.0553
Annotation	5-(hydroxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
53.00313	0.3
53.03949	0.5
54.67694	0.3
55.01873	0.5
55.05521	0.7
56.05037	2.2
56.83438	0.3
66.03471	6.6
67.05505	0.6
67.93559	0.3
69.03430	0.9
70.06598	0.8
70.58826	0.3
70.59161	0.6
71.05001	0.4
80.05035	0.6
81.03421	1.2
81.07069	0.8
84.04507	0.9
84.08148	2.6
94.02936	100.0
95.03257	0.9
98.06036	0.4
98.09692	0.5
99.04454	2.5
101.25149	0.3
107.06148	0.3
107.76581	0.3
108.04489	1.9
109.02892	1.6
112.03995	0.4
126.05525	17.9
126.09151	1.2
126.12792	4.6
127.03935	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	125.0963
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
51.03321	3.7
55.01867	6.9
55.05514	22.7
56.23663	3.4
67.05528	4.8
69.03416	9.4
69.07048	5.8
70.66262	6.7
71.01343	5.8
79.05497	41.5
80.05003	4.9
81.07055	23.1
82.06581	4.4
83.04987	92.9
83.08617	12.8
91.05479	19.4
97.02370	4.5
97.02899	43.7
97.04827	3.7
97.06547	19.1
97.07623	3.3
102.02222	6.7
105.07005	9.0
107.04906	3.8
107.08595	82.6
125.02350	11.6
125.04297	22.1
125.05991	17.9
125.07041	7.9
125.09637	100.0
125.10577	7.8
125.11563	5.2
126.05538	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	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03949	1.3
55.05514	3.0
57.07087	5.4
58.10849	0.5
67.05509	13.2
68.16231	0.5
69.07071	3.7
71.28354	0.8
79.05498	13.4
80.05017	6.0
81.07059	100.0
82.01462	1.1
82.07399	0.9
93.07079	1.3
95.04964	7.1
95.08611	16.5
96.04507	2.2
100.02498	2.7
108.09373	0.7
121.10165	2.1
123.04476	3.2
123.05559	26.4
123.08060	5.2
123.11713	40.5
124.03954	3.7
137.21016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06876	1.7
82.01421	0.6
82.99837	5.0
83.01514	1.0
84.08140	1.5
86.63475	0.5
91.67097	0.4
96.08125	1.5
100.02489	1.3
101.00889	39.0
101.02557	2.6
102.00948	0.4
102.02264	0.6
108.92400	0.5
108.94140	0.5
116.35785	0.5
119.01928	100.0
120.02081	1.2
124.11243	8.9
137.02972	22.3
138.03036	0.5
142.03506	7.8
143.62988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75848	0.6
53.03951	4.3
55.01869	2.2
55.05504	4.2
57.07071	5.0
67.05512	18.2
68.33805	0.8
69.07069	2.9
69.20332	0.6
69.97143	2.9
78.03446	1.8
79.01883	1.3
79.05502	12.7
80.05022	24.1
81.03432	1.6
81.07058	100.0
82.01449	3.4
82.07384	0.8
88.13683	0.8
93.07043	2.1
94.04204	1.0
94.07821	1.2
95.04977	20.1
95.06064	0.8
95.08608	16.5
96.04503	9.5
100.02483	13.3
105.07045	1.7
106.02906	2.0
106.07377	1.2
108.05760	1.1
112.03973	1.3
118.03538	6.3
123.04483	7.2
123.05556	95.2
123.08056	13.6
123.09074	1.6
123.11709	39.3
124.03966	15.6
124.05891	1.2
124.11215	2.1
124.12086	0.8
127.65592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99860	1.4
59.71924	0.8
70.92357	1.8
82.01450	56.9
82.99850	0.9
100.02489	100.0
101.00896	7.2
108.11987	0.8
109.74587	0.7
118.03531	23.8
119.01929	16.1
123.04041	1.4
137.03008	4.0
138.17976	0.8
142.03566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02384	1.2
53.03951	16.1
55.01877	1.9
55.05519	5.3
65.03942	1.7
67.05524	1.6
69.42744	5.3
75.47984	0.8
77.03944	4.2
79.05496	28.9
80.46861	0.8
81.03419	2.1
81.07053	3.0
91.04909	1.7
91.05486	48.0
93.07047	100.0
93.54057	0.7
94.07407	0.8
95.04965	14.4
98.21452	1.5
103.05470	28.1
105.04545	7.9
105.07034	45.6
106.07837	4.0
119.08582	6.3
121.02882	1.0
121.06510	61.7
121.10149	46.6
121.11040	1.7
122.06860	1.1
123.08089	3.4
133.07597	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	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61516	0.4
53.03938	1.5
55.05881	0.4
59.74413	0.5
61.34177	0.5
69.85825	2.2
69.86159	0.6
77.03902	0.7
79.05505	0.7
86.79868	0.5
91.05483	5.0
93.07047	11.0
95.04968	2.0
103.05473	51.2
105.04549	1.0
118.06564	1.4
119.07317	0.7
120.08112	100.0
121.06497	0.9
121.08482	1.0
139.45146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02369	1.2
53.03949	17.5
55.01869	1.7
64.21631	0.6
71.05006	1.4
74.62186	0.7
77.03931	4.6
79.05513	0.6
81.03415	1.8
84.21661	0.6
91.05486	47.8
93.07048	50.6
95.04973	17.1
103.05469	67.9
105.04519	8.1
105.88663	0.6
106.89973	0.7
117.81739	0.6
121.06509	100.0
122.06851	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01612	0.6
51.02393	1.6
51.52431	0.6
53.03951	16.7
55.01879	2.0
65.03937	1.3
69.74542	2.8
76.72660	0.5
77.03927	5.3
81.03410	1.3
91.05489	49.4
93.07049	49.0
94.07383	0.7
95.04974	15.4
102.04684	1.6
103.05476	67.8
104.05862	0.7
105.04519	9.2
117.63130	0.5
121.06512	100.0
122.06870	1.2
126.22247	0.5
131.25647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03954	1.7
61.03056	0.5
63.39713	0.4
65.03945	1.7
71.36160	0.8
79.05499	5.2
79.80659	0.5
82.95242	0.5
91.05484	74.1
92.05791	0.7
93.07047	5.7
95.04948	1.2
103.05472	9.6
104.06256	8.2
105.04543	0.6
106.99815	0.6
109.06506	1.7
115.05462	4.3
117.07021	36.1
119.08583	100.0
120.08139	0.5
120.08952	1.7
121.06508	0.8
131.06044	0.8
134.47429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03951	1.2
65.03942	2.4
67.05511	0.5
69.05790	0.3
69.83982	1.1
71.68506	0.3
73.08514	0.5
76.14291	0.3
78.04705	0.3
79.05500	6.4
91.05486	100.0
92.05835	0.8
93.07045	3.4
95.04983	1.1
96.04539	0.5
98.21477	0.4
101.72555	0.3
102.04660	0.4
103.05475	7.3
104.06262	5.6
105.04537	0.5
109.06550	0.6
115.05458	3.3
117.07027	25.2
119.05074	1.5
119.06198	2.4
119.08586	79.8
120.05589	0.4
120.08126	0.7
120.08890	0.6
124.05217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03947	2.2
54.04275	0.9
56.05032	0.7
65.03942	3.4
69.71175	3.4
73.08463	0.7
74.40595	0.6
77.03960	0.7
78.04721	0.8
79.05499	5.4
91.05487	78.6
92.05804	0.9
93.07046	4.2
95.04984	2.0
96.05326	1.5
103.05466	8.2
104.06263	7.4
113.48666	0.6
115.05474	2.8
117.07025	18.8
119.04967	4.7
119.06058	2.7
119.06863	4.4
119.08588	100.0
120.08102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02379	4.4
53.03949	48.2
54.70332	1.5
55.01868	2.5
55.05502	6.2
57.06425	1.4
58.06607	8.9
59.07381	10.1
70.06580	1.4
70.90017	2.2
70.90337	2.3
72.08159	43.6
77.03923	5.4
78.97218	1.4
81.03418	4.0
86.97139	1.3
87.04459	2.3
91.05491	11.9
95.04974	34.8
95.05570	2.3
100.07618	2.2
100.68377	1.3
102.76581	1.4
105.04523	24.4
116.05803	2.7
117.07022	1.9
118.06549	100.0
118.07274	3.5
118.08659	43.3
118.09309	1.2
118.12299	2.6
119.08582	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	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
65.03929	2.5
73.80939	0.6
79.05506	4.3
91.05487	79.1
92.05803	1.1
93.07054	5.0
95.04964	1.4
103.05470	9.6
104.06255	9.1
111.40789	0.8
115.05445	3.9
117.07026	31.0
117.07867	1.6
119.04937	3.1
119.06084	2.9
119.06862	3.7
119.08589	100.0
134.00221	0.7
136.43452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01602	1.3
51.02377	5.2
53.03951	44.1
54.08471	1.3
55.01863	2.0
55.05489	4.1
57.34024	1.2
57.74457	1.2
58.06598	2.9
59.07401	1.9
69.15967	14.2
72.08154	34.7
73.44631	1.2
76.93364	6.9
77.03927	5.9
81.03423	4.4
91.05477	17.7
94.94381	2.1
95.04971	41.8
99.34747	1.2
105.04523	21.4
116.05829	1.8
117.07024	5.5
117.96021	1.8
118.06547	100.0
118.08662	6.1
119.06898	1.4
119.08586	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02374	3.5
51.61311	1.5
53.03717	2.8
53.03951	43.9
54.00300	1.5
54.09415	1.5
55.05502	6.6
58.06599	10.0
58.06836	1.8
59.07387	10.7
65.39062	1.4
69.27168	14.7
72.04539	2.5
72.07759	2.9
72.08163	56.4
76.93368	5.9
77.03927	6.3
81.03423	2.7
87.04496	2.1
91.05480	14.7
95.04973	42.0
100.07643	2.8
100.11279	3.7
103.05479	1.4
105.04527	21.7
116.05803	1.9
117.07062	2.9
117.96002	1.9
118.06554	100.0
118.08661	48.9
118.12312	6.1
119.08562	7.9
125.84444	1.3
137.08308	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27120	3.7
56.96562	24.3
58.95412	5.1
59.26882	2.7
69.42398	2.7
70.21481	12.8
70.97324	2.6
71.95261	9.0
98.97591	100.0
100.02483	5.5
106.05051	4.2
111.92094	3.1
114.96755	2.9
116.98636	34.0
134.99629	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	1170.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07026	0.3
82.06558	0.3
84.04501	0.3
84.08122	0.8
86.06026	0.2
86.09668	0.4
89.03892	0.8
91.05444	0.5
92.04982	0.4
93.05769	0.9
94.06561	1.5
95.04920	0.7
95.08546	0.2
103.05457	0.3
105.06998	0.4
106.05974	0.2
106.06557	1.8
107.07340	4.3
108.04464	0.9
108.08118	14.5
108.46464	0.2
109.02850	0.2
109.08412	0.3
110.06016	0.2
110.07146	0.2
115.05379	0.2
116.04221	0.2
116.04976	2.1
120.04466	2.0
120.08096	2.0
121.08863	0.3
122.06034	1.5
122.09666	8.6
129.10172	0.2
130.06502	0.3
132.04443	0.3
132.08076	0.2
134.06023	1.3
135.06822	0.9
136.07562	1.3
138.05461	0.3
144.03395	0.2
144.04442	2.6
144.08005	0.2
146.06018	3.5
148.06529	0.2
148.07556	1.1
150.05478	0.4
150.09143	21.1
151.09464	0.4
152.07072	0.9
158.09621	0.2
160.03920	1.2
160.07574	0.8
162.05487	1.3
164.07014	0.3
166.04955	0.2
166.08609	0.3
168.06464	0.3
170.08244	0.2
170.09641	0.6
172.03934	8.7
172.07492	0.3
173.04239	0.2
174.05513	2.5
174.09154	0.2
176.07072	2.3
178.04909	0.3
183.09167	0.4
184.07518	0.3
185.07072	0.2
185.10791	0.5
186.09163	0.2
187.12328	0.4
188.07060	0.4
188.10832	0.2
190.04997	9.1
191.05487	0.2
196.07658	0.3
197.07011	0.3
197.10687	0.7
198.07619	0.3
198.09416	0.8
199.08679	0.9
200.09386	0.5
201.10229	0.5
202.08672	0.2
204.06558	12.7
205.06870	0.2
206.08188	0.4
207.09163	0.2
209.10744	0.4
210.11502	0.4
211.08630	1.0
211.12209	0.4
212.09486	0.6
213.10197	2.4
213.13808	0.3
214.10991	0.5
215.11833	1.9
220.09773	0.2
221.10706	0.3
223.08658	0.6
223.12181	0.3
224.09346	0.8
225.10194	1.8
225.13800	0.3
226.08554	0.8
226.10999	0.5
227.08109	0.3
227.11737	0.7
229.09746	0.3
229.13313	0.9
231.11258	0.2
233.10670	0.2
235.08701	0.6
236.09271	0.8
237.10260	1.8
238.10884	0.9
239.08273	0.2
239.11736	1.1
241.09692	2.1
241.13416	0.4
243.11302	10.5
244.11794	0.2
247.08455	0.3
248.09409	0.2
249.10258	1.8
250.08669	0.2
250.10933	1.2
251.08122	1.2
251.11819	1.5
252.08919	1.2
252.12715	0.3
253.09676	1.2
253.13361	1.0
254.10559	0.3
255.11284	1.0
256.12051	0.4
257.09247	0.5
257.12836	1.9
259.10760	0.5
260.11566	0.3
261.10181	0.6
262.10944	0.4
263.08167	1.2
263.11780	1.6
264.08759	1.2
264.12750	0.3
265.09726	2.6
265.13293	0.6
266.10443	1.2
266.85391	0.2
267.11346	1.5
269.09247	1.9
270.09973	0.4
271.10760	1.7
273.12332	1.2
274.13156	0.5
277.09775	1.3
277.12384	0.2
278.10443	0.6
279.08282	0.3
279.11285	2.7
279.14078	0.3
280.11993	0.5
281.09360	0.9
281.12823	5.8
282.09915	0.3
283.10785	2.9
283.14423	2.4
284.11435	0.8
285.12338	17.1
286.13104	0.3
287.10233	3.3
289.09619	0.5
290.12769	0.3
291.11160	1.1
293.09238	0.7
293.12558	0.3
294.10025	0.9
295.10898	0.9
295.13998	0.2
296.11533	0.4
297.12253	1.6
298.13202	0.3
299.10324	1.1
299.13968	0.4
300.11462	0.6
300.14966	0.4
301.11758	1.6
302.12991	0.9
303.13397	29.9
304.13931	0.7
305.09213	0.7
307.10754	1.2
309.12326	17.1
310.12729	0.6
311.10248	1.1
311.13901	2.3
312.11594	0.3
312.15018	0.4
313.12033	0.9
313.15582	0.4
314.12955	0.6
314.16516	0.7
315.10687	0.3
315.14108	0.3
315.17499	0.2
316.10806	1.0
316.14560	0.9
317.11945	0.2
317.15359	0.5
318.15982	0.6
319.10709	0.4
321.14468	0.5
322.12982	0.2
323.10251	4.5
323.13947	0.4
324.11264	0.5
324.15259	0.2
325.11969	0.6
326.12854	0.7
326.16397	0.3
327.13547	2.5
328.10995	0.4
328.14423	0.7
329.11670	1.0
329.15417	0.4
330.12390	1.2
330.15961	0.8
331.13565	0.5
332.13959	0.4
332.17572	0.4
333.14709	0.2
334.15637	0.2
335.09967	0.9
337.08029	0.5
337.11966	1.2
339.13687	0.5
340.10760	0.3
340.14722	1.1
341.15137	5.2
342.12384	0.8
342.16095	0.7
343.13266	1.0
344.13889	2.2
344.17477	0.2
345.14673	0.8
346.12024	0.2
346.15558	1.5
347.16190	0.6
353.11658	0.5
353.15552	0.2
354.12558	1.1
354.16107	0.7
355.13260	1.0
355.16977	0.2
356.10767	0.2
356.13950	1.0
356.17679	0.3
357.11032	0.3
357.15021	1.3
358.11816	0.9
358.15536	3.6
359.12836	0.3
359.16437	0.5
360.13242	0.4
360.17221	0.4
361.14166	0.2
362.14886	0.5
364.14325	0.2
366.16449	0.2
367.12976	1.9
368.13980	1.5
369.14606	0.7
370.11389	1.6
370.16034	0.9
371.12592	2.3
371.16318	0.2
372.13315	3.3
372.17181	0.5
373.14011	1.5
374.14813	2.1
374.18869	0.4
376.16663	0.6
381.10916	0.5
381.14859	0.5
382.15952	0.8
383.12201	0.8
384.12845	0.8
384.17191	0.7
385.14441	1.9
386.14990	7.8
387.15826	3.3
387.20032	0.3
388.12323	0.3
388.17099	0.9
389.13818	0.3
390.18192	0.5
392.16537	0.3
395.13043	0.3
396.13391	1.4
397.14417	0.3
398.15073	0.6
399.16080	0.4
400.12732	0.5
400.17136	1.5
401.13223	1.1
402.13626	1.4
402.18335	1.0
403.15393	0.4
404.15979	2.7
405.16553	0.2
406.17471	1.2
410.15033	1.7
412.16962	1.2
413.14606	1.2
414.14493	9.8
415.15295	16.7
416.15945	1.8
417.16678	0.2
418.17755	1.4
420.15469	1.9
427.15393	0.4
428.15933	3.1
428.21176	0.3
429.16656	0.3
430.13004	0.2
430.17789	2.7
431.15381	0.7
432.15515	10.1
433.16119	0.8
434.17059	0.3
438.14813	1.8
439.13013	0.4
441.77832	0.2
444.15015	2.0
445.16336	0.3
446.17090	5.0
447.17715	0.4
454.17780	0.2
456.15524	8.8
457.14636	0.4
458.17206	0.3
459.14243	0.2
462.16547	3.1
472.18518	0.4
474.16595	22.8
475.16833	0.9
478.19626	4.3
480.18228	0.3
488.18259	0.9
489.16397	0.2
492.17065	0.8
494.19110	1.1
504.21295	5.9
505.21762	0.5
506.18555	8.3
507.18918	0.2
510.22748	1.0
522.22406	0.7
523.23480	0.4
525.24707	0.2
533.21350	0.2
536.24115	0.4
539.26343	0.3
541.24829	0.5
547.23059	0.2
551.23108	0.5
565.24567	0.6
567.26288	0.8
569.23810	2.0
575.22748	0.5
583.25311	2.0
593.23871	4.5
594.24005	0.2
608.24377	0.5
611.25006	100.0
612.15350	0.3
612.25323	4.8
625.26587	2.6
626.25433	0.5
629.26141	5.2
629.36212	0.4
643.27643	27.9
644.27972	1.4
661.28625	1.4
1096.99402	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0554
Annotation	AKOS006337466
Peak:m/z	Relative Intensity
52.69515	0.2
53.00314	0.2
53.03951	0.3
56.96567	5.7
58.06595	0.2
66.32031	0.2
68.05029	4.1
69.03431	22.9
69.07065	0.5
70.60902	0.6
72.93797	2.0
78.03438	0.2
84.08138	0.7
86.06072	1.0
90.94839	0.2
93.52608	0.8
96.04013	0.1
96.04494	5.8
97.02895	100.0
98.03237	0.5
102.53134	3.4
111.53654	3.4
112.07606	3.2
114.05532	14.1
114.09144	0.8
115.03941	0.3
120.54143	0.4
120.97677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0553
Annotation	Jatropham
Peak:m/z	Relative Intensity
53.03950	6.7
55.01866	0.5
56.05041	1.8
61.94946	0.3
68.05033	20.4
69.03434	18.6
69.81857	1.0
69.82250	0.6
71.04996	33.0
72.04510	0.5
72.93781	1.3
79.17912	0.5
84.04509	9.3
86.06081	2.6
87.04469	0.5
96.04501	6.9
97.02898	8.9
107.83154	0.4
114.05536	100.0
114.09184	1.5
115.05885	0.8
134.96571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03715	0.6
53.03954	7.6
55.01869	0.5
56.05036	1.1
58.06603	0.5
59.05009	1.0
67.61347	0.4
68.05038	22.2
69.03438	19.0
69.07070	1.7
70.06591	0.5
70.27659	0.5
71.05003	30.7
71.51712	0.7
72.08154	0.4
72.93403	0.8
72.93797	11.7
74.90171	0.4
79.05498	1.0
84.04514	8.2
86.06076	4.6
87.04465	1.5
90.50288	0.4
90.94841	3.0
91.00132	1.3
96.04504	6.1
96.08168	1.3
97.02911	15.5
97.03532	0.9
100.00632	1.4
113.96411	1.2
114.05545	100.0
114.09177	13.7
115.03946	1.1
115.05927	0.5
121.95749	0.7
131.97472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0601
Annotation	Cyclohexane-1,2-dione
Peak:m/z	Relative Intensity
51.02380	1.0
51.29415	0.5
53.03950	39.3
55.05515	18.8
57.03428	1.8
59.04717	0.9
59.05006	16.0
67.05507	1.3
70.02947	0.7
70.32971	0.7
70.33310	1.3
71.04996	19.2
72.93770	0.9
81.03423	62.4
83.04995	1.0
84.93727	0.6
85.06548	37.9
89.50335	0.7
90.00134	1.4
93.90382	0.5
95.04961	0.8
97.02878	1.0
99.00659	1.0
113.02387	5.6
113.06010	100.0
114.06328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0238
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
52.58157	0.5
53.00314	1.0
53.03941	0.5
55.01882	1.0
55.05508	0.8
56.96563	0.8
57.03449	6.7
57.07068	0.6
58.06608	0.7
59.05005	0.4
64.76832	0.4
65.03945	1.4
67.01872	4.3
67.05509	10.0
68.05031	2.2
69.03436	2.7
69.07082	1.9
69.64035	1.5
69.64443	1.3
70.02959	5.3
70.06588	2.4
71.04989	4.6
71.94111	4.8
72.93797	7.3
79.05496	0.6
83.04996	0.7
84.08157	3.5
85.02911	100.0
85.06551	1.8
85.08463	0.8
86.06092	0.8
89.00275	3.5
89.50366	3.8
89.95142	0.7
90.00143	11.4
90.94852	2.4
93.07039	0.6
95.01326	1.2
95.02444	0.6
95.04972	5.2
95.06095	1.0
95.08620	4.9
96.00854	2.8
96.04503	2.1
97.02892	2.9
98.00803	2.4
98.21561	0.5
98.50906	3.4
99.00658	6.8
101.01108	0.5
101.50921	1.5
110.51445	0.8
112.96668	0.6
113.00079	4.2
113.02374	79.7
113.03516	9.4
113.04317	2.4
113.06008	5.6
113.07143	2.4
113.07957	2.3
113.10782	0.9
113.96429	0.7
114.02697	0.6
114.05551	3.2
114.09177	2.7
117.95975	1.2
118.96055	1.0
119.95737	2.7
120.96480	1.0
124.07293	0.5
131.03421	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03949	1.0
53.83002	0.2
55.05515	6.2
65.03940	2.7
66.89733	0.2
67.05507	100.0
68.05849	0.7
69.07072	3.6
70.17842	0.2
71.51952	0.3
72.48749	0.3
74.99865	0.3
79.05493	4.8
79.05923	0.4
80.06284	0.9
81.03422	1.3
81.07056	21.6
86.00732	0.4
86.50637	0.6
87.00456	1.3
91.05505	0.6
93.00199	0.2
94.07829	0.9
107.08591	2.6
107.27238	0.2
109.02893	0.5
109.06519	0.9
109.10159	45.6
110.06078	0.3
110.10529	0.3
111.96848	0.3
113.96438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0398
Annotation	2,6-Dihydroxypyridine
Peak:m/z	Relative Intensity
53.00305	0.8
55.01859	1.2
55.05503	0.4
56.05034	0.5
56.96558	1.9
58.41538	0.4
66.03459	1.0
67.01868	12.9
67.05513	1.1
68.05011	0.6
69.03430	4.9
70.06580	1.7
70.94248	1.4
70.95031	1.1
70.95861	1.7
71.76028	0.4
79.99722	1.1
84.04510	32.2
84.08159	2.5
85.04795	0.4
88.00479	1.6
88.50677	0.8
89.00265	9.7
89.50310	0.4
94.02939	4.1
94.06617	0.6
95.01331	1.3
95.02450	1.0
95.06116	2.4
96.04501	0.4
97.01032	0.6
97.51178	0.7
98.00780	5.2
98.97602	0.8
99.34818	0.5
112.03975	100.0
112.07611	12.1
112.08729	1.3
112.11250	0.7
113.02371	1.8
115.96471	0.6
116.00187	0.4
116.98643	0.4
117.96006	2.6
118.96792	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03953	8.4
55.01867	0.8
55.05511	9.7
64.06628	0.6
65.03945	3.7
67.05507	100.0
69.07072	5.4
70.87157	1.1
70.87490	1.0
77.00198	2.0
77.50102	2.2
77.99948	4.9
79.05491	9.5
80.06280	0.8
81.03424	11.2
81.07059	36.5
86.00702	8.6
86.50620	5.8
87.00466	18.1
87.00980	1.2
88.34667	0.7
89.50757	0.8
91.05492	2.6
94.04193	1.9
98.51252	1.0
107.04980	1.0
107.08571	4.0
109.02877	4.3
109.06530	13.1
109.07666	2.3
109.10161	68.5
109.54124	0.6
110.06037	3.2
110.10495	0.9
111.96888	2.0
112.96718	2.4
113.96419	6.0
129.97948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.16140	1.0
53.03949	4.9
55.05510	9.0
65.03933	3.5
67.05510	100.0
69.07059	5.9
71.12115	1.8
71.12456	1.1
74.99902	1.0
79.05502	12.6
81.03430	7.1
81.06590	1.9
81.07063	33.9
86.00690	1.7
86.50639	2.4
87.00461	3.3
91.05473	2.6
94.04200	2.8
107.08602	3.8
109.02863	3.0
109.06522	18.7
109.10165	68.7
109.24723	0.9
110.06059	1.4
110.10445	0.9
119.32723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03955	1.4
55.05515	7.4
58.89535	0.3
65.03947	3.4
67.05508	100.0
68.05840	0.6
69.07066	3.5
71.77439	0.3
77.00205	0.3
77.99966	0.7
79.05494	5.9
80.06279	1.1
81.03431	1.7
81.07059	22.4
86.00702	0.9
86.50636	1.3
87.00473	2.4
91.05504	0.8
94.07829	1.4
95.20450	0.3
100.09728	0.3
105.07033	0.4
107.08598	2.6
109.02913	0.8
109.06534	1.2
109.10160	45.6
110.06068	0.5
110.10468	0.6
111.96854	0.5
112.96665	0.5
113.96394	1.0
118.05681	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.95803	0.6
53.03750	0.6
53.03953	6.6
55.01880	3.9
55.05508	6.0
65.03937	3.4
67.05508	64.3
69.03452	0.6
69.07070	3.5
70.33538	0.6
70.33975	0.5
70.95636	1.4
74.99834	1.1
77.00179	1.0
77.50097	1.1
77.99936	0.9
79.05495	31.5
80.06285	0.7
81.03419	5.1
81.07061	45.6
81.47351	0.6
86.00702	3.9
86.50620	3.5
86.89661	0.6
87.00476	5.1
91.05488	10.4
94.04193	2.7
94.07894	0.6
98.51237	0.6
107.04978	1.1
107.08590	2.7
109.02944	1.2
109.06523	100.0
109.10165	37.9
110.06056	1.8
110.06824	1.0
111.96834	1.3
112.96730	1.0
113.96400	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0289
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
50.01595	0.7
51.02384	1.7
51.23252	0.7
53.00312	0.9
53.03953	74.5
55.01873	1.3
55.05519	2.3
59.16984	0.6
63.58040	0.6
65.03947	2.0
65.99329	0.8
67.05513	41.5
69.07073	2.6
71.47379	0.7
72.93770	0.7
77.00173	1.4
77.99948	1.4
79.05505	4.7
81.03426	100.0
81.07066	14.5
86.00725	4.7
86.50636	3.4
87.00480	8.1
91.05508	1.4
94.04199	1.1
97.51482	1.4
98.20748	1.5
104.99333	0.7
107.08588	1.4
109.02892	31.0
109.06528	13.1
109.07684	2.3
109.08494	0.7
109.10165	22.9
110.06070	1.8
111.96874	1.8
112.96727	0.8
113.96400	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	107.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.8
55.01862	1.0
62.99074	0.9
64.89589	0.7
65.03944	10.3
65.47953	0.7
67.05507	4.6
67.60168	0.7
69.28607	0.8
71.10258	2.2
77.03926	1.7
79.05499	45.3
83.66369	0.8
91.05486	100.0
92.06268	1.7
95.04974	3.2
105.04535	2.3
105.07037	34.4
106.04205	0.9
107.04213	1.1
107.04964	37.9
107.08601	52.1
109.06527	12.3
119.06078	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	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01591	0.2
50.71600	0.1
51.02382	0.4
53.03950	5.1
55.01874	0.9
62.01576	0.1
62.99076	0.4
65.03949	0.6
65.04243	0.1
67.05522	0.2
69.04864	0.1
69.67745	0.5
77.03934	1.4
78.04725	0.1
79.01871	0.1
79.05497	8.9
81.03432	0.8
81.68734	0.1
84.01585	0.1
85.25427	0.1
91.05487	4.0
95.04976	5.5
105.04525	3.1
105.07017	1.3
106.04174	0.2
107.04960	100.0
107.08595	2.1
108.04580	0.2
108.05250	0.6
108.08140	0.3
109.06522	0.5
112.80529	0.1
119.06092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03940	1.2
54.36842	0.7
55.01873	1.6
55.32790	0.7
62.03451	0.7
65.03948	10.9
67.05504	3.2
68.14533	0.7
68.51801	0.7
69.26204	1.3
69.26624	5.6
69.26981	0.8
76.52538	0.8
79.05068	1.3
79.05496	14.6
82.88206	0.7
91.05483	100.0
92.06258	2.5
95.04987	1.9
97.36563	0.6
105.07037	34.2
106.04189	2.4
107.04996	4.3
107.08598	69.5
109.06521	13.1
119.06070	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02372	0.9
53.03719	0.5
53.03953	8.6
55.01847	0.5
71.03501	0.6
75.29934	0.3
75.30394	0.4
77.03916	2.7
79.05499	36.6
81.03406	0.4
95.04981	7.8
103.05475	25.9
105.04541	3.6
105.07037	100.0
119.88651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02380	0.7
51.72795	0.3
53.03951	5.9
55.01874	0.8
56.96567	5.8
61.43907	0.2
62.00282	0.3
62.99083	2.1
65.03944	0.6
66.00555	0.4
69.03410	0.3
69.38756	0.9
69.39181	1.3
70.47248	0.3
75.01048	3.2
77.03928	1.2
79.05495	100.0
80.05017	0.4
80.05836	0.7
81.03413	0.9
83.52368	0.8
84.01566	4.7
84.08150	2.4
91.05482	4.0
93.02085	1.3
93.05775	0.3
95.04965	6.3
96.77489	0.3
98.20820	0.6
105.04510	3.4
105.07038	1.3
107.01659	0.4
107.04958	34.4
107.08580	2.2
108.08115	0.6
109.06558	0.5
109.91830	0.3
113.06828	0.3
117.85345	0.3
119.06029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	2.2
51.02383	8.1
53.03949	78.2
55.01880	4.0
58.06567	0.7
59.05008	0.7
60.08158	1.5
61.08507	1.4
65.03895	0.8
69.72523	3.7
77.03926	16.5
79.05495	19.1
81.03422	8.6
81.03879	1.0
81.07053	1.0
81.68951	0.7
84.40185	0.7
95.04970	81.9
98.20758	1.0
103.05467	12.0
104.59888	5.8
105.03400	100.0
105.04492	43.3
105.07031	55.4
105.10462	1.1
105.11072	6.8
113.94888	0.8
118.06578	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
73.01131	1.5
74.00650	4.3
74.02415	1.6
75.02708	1.2
76.01836	1.4
76.02231	18.5
76.02901	1.0
76.04001	6.3
77.74085	1.0
79.05495	17.0
80.05013	12.2
81.03417	7.2
81.05778	2.8
81.07052	18.1
82.06561	3.9
82.79277	0.9
83.04961	2.7
83.06105	9.4
83.08601	4.0
84.03986	1.2
84.04504	49.2
85.01128	49.3
85.02892	3.2
85.04002	3.2
86.00647	36.7
86.99055	49.0
87.02687	2.1
88.02216	5.7
91.05485	15.7
92.01714	1.4
93.05782	1.3
93.07043	14.1
94.06554	2.1
94.07935	1.0
95.04954	4.9
95.08605	10.2
95.27701	1.2
96.04487	5.5
97.01120	13.1
97.02871	3.5
97.06490	1.3
97.10162	5.5
98.00643	7.0
98.06024	2.7
99.01423	1.0
99.02637	1.1
99.05547	3.0
100.02204	9.9
102.00079	1.6
102.03767	34.2
102.05544	26.7
105.04508	1.1
105.07017	6.9
105.78127	0.9
107.04949	2.3
107.06062	1.5
107.08594	10.1
108.04469	3.1
109.05280	1.5
109.07627	6.3
109.10154	7.8
110.06018	3.0
111.02614	1.9
111.08054	2.2
112.02182	31.9
112.03935	4.2
113.00587	5.4
113.03538	1.1
114.00090	2.3
114.03753	12.8
114.05511	3.2
116.01678	24.4
117.06982	3.0
119.08564	4.3
120.08090	1.6
121.10156	5.4
122.06012	2.7
123.08048	1.2
124.02179	6.6
125.00562	2.5
125.09646	3.7
126.03717	3.3
126.05508	4.2
127.03897	1.0
127.05035	1.6
129.06555	9.3
130.03244	14.5
130.04993	26.0
131.04530	1.9
131.08586	5.4
132.01151	4.2
132.04741	1.6
133.10115	3.8
134.05966	1.4
135.05519	1.8
135.11687	3.0
136.02161	1.0
136.03947	2.6
137.07138	1.0
137.09729	1.0
139.02159	1.1
139.03246	1.6
140.01663	5.6
140.03308	1.1
141.04816	1.7
141.06815	1.2
142.03230	47.2
142.04962	2.1
143.02731	37.7
143.08443	1.4
144.01198	6.3
145.06097	5.4
145.10112	3.7
146.02666	1.3
147.11697	1.8
149.09566	2.1
152.01646	3.5
153.06554	5.3
154.04990	1.0
155.08153	9.1
156.06575	8.5
157.00719	1.3
158.02696	8.3
159.11627	1.6
160.00647	1.5
161.13177	1.1
162.02214	12.8
162.05536	1.4
163.11145	1.9
165.06628	1.4
168.04781	6.7
168.06459	1.5
169.04297	8.5
170.02686	7.0
171.02185	5.9
173.09300	3.0
173.13190	1.0
177.03287	11.7
179.04855	15.8
181.06056	5.9
183.07719	1.4
184.06064	1.6
185.03781	4.3
187.05371	2.7
187.14764	1.4
188.03802	7.3
188.05328	1.7
189.03288	100.0
191.10661	1.3
193.06058	1.4
193.12215	2.4
195.08293	1.2
196.04305	10.8
196.05949	1.2
199.05365	3.8
199.07170	4.4
201.08691	1.9
205.06418	30.8
208.06012	1.6
211.07098	1.9
213.06918	1.2
215.04843	42.1
217.06375	3.2
223.07878	1.5
224.03748	5.3
224.11005	1.1
227.04832	3.0
227.12790	1.4
227.76276	1.1
231.04303	5.5
231.08032	1.8
232.04990	1.8
233.05922	33.3
241.06435	3.9
243.04326	1.8
245.05870	16.4
245.08226	1.4
248.11012	2.0
256.09338	1.3
257.07678	1.4
259.07541	5.8
261.22144	1.2
266.12115	6.9
267.15909	4.4
269.05936	3.1
274.10437	1.3
275.11063	1.9
284.13092	2.4
287.06958	16.7
288.06555	1.4
291.19794	1.2
294.11493	2.4
299.06879	3.4
306.07449	3.0
307.08221	6.0
308.09183	5.4
312.12909	1.1
317.07974	2.1
334.10657	30.7
335.22043	1.9
335.25763	17.5
340.16287	1.0
341.15305	3.3
344.09067	1.2
345.07407	2.7
346.10553	1.0
362.10165	65.7
369.14694	1.2
392.11166	2.0
395.15945	1.5
443.18280	1.4
461.19495	1.1
489.35907	1.3
498.18130	1.0
527.36511	1.1
534.21344	2.1
559.36224	2.5
608.24622	2.1
618.37585	1.4
636.38971	1.8
654.40222	1.3
703.39551	2.9
721.40875	11.1
739.42041	15.8
757.43024	15.2
793.42523	4.6
811.43793	7.0
868.45746	12.4
869.45972	1.4
886.47253	87.3
887.47009	4.3
919.48401	1.5
936.32599	1.2
1030.50525	2.6
1048.52356	16.2
1048.81055	1.0
1065.46411	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	2.9
59.07380	1.0
60.08166	33.3
69.03429	0.8
69.07092	0.2
70.28557	0.6
70.28946	0.3
73.01241	0.2
86.06071	0.5
87.04477	1.5
90.97540	0.2
97.46915	0.2
97.47530	0.2
98.20809	0.2
103.88503	0.2
104.10748	100.0
104.73898	0.2
113.24622	0.2
122.43609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
73.01128	1.0
73.02887	1.1
73.91000	0.9
74.00670	5.3
74.02419	1.3
75.02685	1.2
76.02231	21.6
76.03994	7.9
79.05495	18.0
80.05013	12.2
81.03416	9.0
81.05782	4.3
81.07059	19.0
81.48744	0.9
82.06564	3.9
83.04971	4.2
83.06114	11.0
83.08620	4.9
84.04505	53.8
85.01133	48.2
85.02884	4.4
85.04015	3.9
86.00651	37.0
86.99055	52.4
87.02693	2.4
88.02209	5.3
91.05484	15.2
92.01694	1.7
93.05768	1.3
93.07046	16.9
94.06564	1.6
95.04977	6.2
95.08600	12.5
96.04504	5.4
97.01115	9.8
97.02879	4.2
97.06487	1.6
97.10165	5.4
98.00642	5.1
98.06041	4.0
99.01431	2.1
99.02682	1.4
99.05579	4.1
100.02196	9.4
102.03092	2.1
102.03767	36.4
102.04864	1.6
102.05542	25.7
103.05479	1.0
105.07033	8.9
106.06522	1.3
107.04951	3.0
107.06057	1.2
107.08583	8.7
108.04457	2.2
109.02850	1.0
109.05250	0.9
109.07644	6.6
109.10173	8.3
110.06054	2.2
110.10443	1.0
111.02616	1.3
111.04482	0.9
111.08070	2.1
112.02188	30.3
112.03934	3.1
113.00590	5.8
113.03530	1.0
114.00084	3.3
114.03752	17.6
114.05535	3.6
115.02147	1.5
116.01679	26.3
117.06994	3.0
118.06521	1.2
119.04971	0.9
119.08569	8.9
121.06464	1.5
121.10130	6.5
122.06033	1.8
123.02644	1.3
123.04319	0.9
123.11716	1.1
124.02207	6.2
125.00568	2.5
125.01481	1.0
125.09624	4.5
126.03708	4.5
126.05519	4.9
127.02112	1.4
128.07034	2.3
129.06554	8.6
130.03259	15.9
130.05000	31.3
131.04530	3.9
131.08533	7.1
132.01128	3.5
132.04710	1.9
133.10107	4.1
134.06023	2.7
135.05527	1.2
135.11682	5.7
136.03896	2.5
139.03244	2.0
140.01651	4.5
140.07002	1.1
141.04778	1.2
142.03224	47.5
142.04926	2.3
143.02742	42.1
143.04459	1.5
143.08536	1.2
144.01152	8.2
145.06091	5.6
145.10080	4.2
146.02711	1.4
147.07996	1.6
147.11673	2.7
149.09599	2.0
149.13248	1.6
152.01590	3.1
153.06580	5.6
155.08122	6.8
156.06554	9.5
157.10078	2.1
158.02693	7.9
159.02274	1.2
159.11710	2.0
160.00623	1.4
161.09637	1.2
162.02228	12.7
162.05440	1.3
163.11168	2.3
168.04800	8.2
168.06480	1.6
169.04297	8.3
170.02719	8.0
171.02225	9.0
171.07721	2.5
172.04335	1.1
173.09320	4.3
173.13307	1.7
175.11127	1.1
177.03297	17.8
178.03194	1.4
179.04845	17.2
179.08333	1.1
181.06064	8.0
184.06010	2.6
185.03802	5.4
186.07552	1.2
187.05379	3.3
188.03783	7.8
188.05298	1.7
189.03287	100.0
189.10968	1.0
191.10663	1.0
193.12236	3.0
196.04260	12.7
196.05917	0.9
197.03850	1.1
199.05341	4.7
199.07147	3.4
200.07991	1.3
202.04074	1.7
205.06427	34.5
208.06081	2.4
211.07156	1.7
213.06882	1.0
215.04857	43.1
217.06421	3.7
223.07748	1.4
224.03778	4.9
227.04848	4.5
227.10654	1.2
227.12794	1.7
228.03558	1.2
229.14264	1.8
231.02330	0.9
231.04362	6.0
232.05098	2.1
233.05914	37.6
238.07184	2.1
241.06468	3.0
243.04292	2.1
245.05937	19.5
248.11046	1.6
259.07495	6.7
261.22122	4.0
266.12119	7.8
267.13351	1.0
267.15903	5.2
269.05957	3.4
271.07489	1.2
273.11081	1.0
274.10114	2.2
281.05988	1.3
284.13095	3.3
287.06989	17.4
288.06561	4.2
291.19543	1.5
294.11435	1.8
299.06912	3.9
306.07513	10.3
307.08136	6.8
308.09048	7.6
316.09250	1.0
322.07172	1.3
323.14154	1.7
324.08249	1.9
333.24405	1.0
334.10669	31.8
335.25793	26.5
341.02670	1.1
341.15076	1.7
344.09103	1.7
345.07376	3.1
351.13412	1.3
362.10168	71.0
363.10565	1.2
365.23483	1.0
392.11218	2.0
439.47360	1.1
443.18533	1.7
461.19482	2.9
489.36090	1.4
497.30826	1.2
519.33154	1.3
527.37769	1.1
559.36163	1.6
590.23273	1.1
600.37091	1.1
608.24255	1.6
618.38129	2.3
626.25195	1.2
636.39148	2.3
639.42108	1.7
654.40558	1.5
703.39160	3.3
721.40991	10.7
723.77759	0.9
739.42017	19.6
757.42999	18.9
775.41309	1.7
793.43494	4.9
811.44489	6.4
822.94238	1.1
850.45593	1.3
868.46057	15.5
886.47229	87.6
887.47168	4.5
919.47443	1.8
973.47559	1.6
1030.50745	1.7
1048.51733	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	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
51.50758	0.2
58.06596	3.1
59.07393	1.0
60.08167	33.5
70.28646	0.7
70.28986	0.2
72.62014	0.2
73.01485	0.2
87.04468	0.3
98.20789	0.2
104.10748	100.0
105.11093	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51875	0.5
71.52335	0.5
72.08138	0.4
73.02897	0.7
74.00690	0.4
76.02233	41.9
76.03996	1.7
79.05499	13.0
80.05014	0.7
81.03424	22.4
81.06592	0.8
81.07062	15.3
83.04987	1.9
83.06111	0.5
83.08624	3.6
84.04507	10.2
85.02915	2.0
85.04023	1.6
85.06541	0.7
86.99063	2.0
88.02201	1.1
91.03941	0.7
91.05492	11.1
93.06492	0.8
93.07050	12.2
95.04980	7.0
95.08612	11.0
97.02903	1.2
97.06529	1.3
97.10176	1.5
99.99882	0.5
105.04530	0.8
105.06394	0.7
105.07043	8.0
107.04974	2.1
107.08596	6.8
109.06565	2.0
109.07164	0.4
109.10155	5.3
111.04465	0.6
111.08086	2.2
113.03428	0.6
114.03763	0.8
115.05447	1.0
116.01695	11.0
117.07039	2.7
119.08594	7.3
121.06516	1.5
121.10139	5.5
123.08059	1.3
123.11741	2.2
125.09609	0.6
129.07018	2.8
130.05014	7.4
131.04414	0.5
131.08591	5.2
133.06500	1.2
133.10168	3.5
135.08051	0.6
135.11703	3.5
137.09641	0.5
138.05540	0.5
141.04802	0.6
141.06993	0.6
142.03236	5.3
142.07780	0.8
143.08563	1.0
144.01155	6.4
145.10114	2.7
147.08018	0.7
147.11670	4.2
149.09604	1.8
149.13258	1.8
157.10123	3.0
159.11690	2.1
159.29712	0.4
161.13264	1.4
162.02216	22.0
163.11252	0.6
163.14848	0.7
165.12738	0.7
170.02699	1.7
173.13258	2.0
175.11177	2.9
177.03270	2.2
177.16315	0.5
179.04871	37.9
185.13219	0.6
187.05385	1.3
187.14851	0.9
191.14255	0.5
193.12244	6.6
201.16406	0.6
211.13281	0.5
215.04861	1.6
227.12825	1.2
233.05937	11.7
243.21190	1.3
245.05843	2.2
249.14955	0.4
261.22141	5.0
267.15933	19.9
272.07065	0.5
285.17059	0.5
290.08209	1.0
291.06555	1.3
291.19739	0.5
300.15955	0.4
301.25131	0.6
308.09122	100.0
309.09354	1.0
309.17044	0.4
317.24713	0.7
335.25818	22.0
336.26175	0.9
341.10001	0.6
341.47049	0.5
435.32382	0.4
453.33636	1.1
470.14447	1.5
471.35181	0.6
527.37360	12.6
545.38385	8.1
569.38354	0.6
620.39124	0.6
672.41724	0.5
677.78955	0.5
705.40448	0.7
800.04486	0.5
834.46112	1.1
852.46680	2.8
854.58386	0.5
870.53815	1.0
1014.52985	1.2
1032.58948	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	1019.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08170	0.2
79.05491	0.5
80.05034	0.8
81.07055	0.4
82.06571	0.3
84.04516	0.2
84.08148	0.8
86.06054	0.2
86.09696	0.4
89.03908	0.8
91.05480	0.6
92.05034	0.2
93.05795	1.6
94.06580	0.9
94.67995	0.1
95.04953	0.2
95.08613	0.2
97.02869	0.2
105.07025	0.6
106.06544	0.7
107.07346	2.2
107.08578	0.2
108.04484	1.8
108.08124	56.0
109.08427	0.4
110.06055	0.2
110.09702	0.2
115.32710	0.2
116.04980	3.3
116.06216	0.2
120.04447	0.2
120.08138	0.8
121.08913	0.3
122.06037	0.5
122.09680	3.6
124.07611	0.2
128.79301	0.2
129.10266	0.3
132.04480	0.3
134.06023	0.4
135.06799	0.6
136.07590	2.6
138.05510	0.2
138.09151	0.6
140.07077	0.5
144.04459	4.7
145.02910	0.2
146.06023	5.6
148.07558	0.6
149.08336	0.2
150.05530	0.5
150.09151	37.7
151.09467	0.4
152.07080	0.8
154.04962	0.4
160.03943	2.1
162.05540	1.0
166.04968	0.2
168.06570	2.9
170.08240	0.2
172.03946	14.3
173.04712	0.6
173.25743	0.1
174.05524	6.3
175.06065	0.2
176.07083	0.2
178.05048	0.2
190.05005	25.6
191.05615	0.5
192.06502	0.2
204.06573	12.8
206.08102	2.0
210.11516	0.2
211.08594	0.2
213.13850	0.5
221.10789	0.3
223.08788	0.2
224.09402	0.2
225.10194	0.6
225.13831	0.2
227.08136	0.2
236.09294	0.2
237.10266	0.3
238.10959	0.3
239.08206	0.3
239.11769	0.3
240.08951	0.3
248.05495	0.2
249.10275	0.4
251.08008	0.2
251.11848	0.4
252.08992	0.5
253.09711	1.6
253.13382	1.8
255.11191	0.2
265.09686	0.2
266.10492	0.4
267.11292	0.9
268.12103	0.2
277.09628	0.3
278.10233	0.2
279.11310	0.4
280.08472	0.2
281.09302	2.4
281.12866	11.7
282.13171	0.2
283.11026	0.7
285.12363	0.4
287.05435	0.4
287.10263	2.2
294.10159	0.2
295.10782	2.0
297.12405	0.9
298.10226	0.2
299.10312	7.3
299.13846	0.6
301.11859	0.4
309.12350	37.9
310.12692	0.4
311.10303	0.6
313.11841	2.4
323.10269	8.3
327.13412	5.2
329.11337	3.0
339.13388	0.7
341.11365	10.0
341.14792	0.4
355.13037	0.4
359.12537	0.2
361.13766	0.3
367.12918	0.6
368.13168	0.1
373.13934	1.5
408.19193	0.8
418.17590	0.2
432.19199	0.6
434.20731	0.6
436.18634	3.7
450.20352	0.8
460.18692	1.3
464.21790	0.3
478.19754	100.0
479.20023	2.1
492.21320	3.4
496.20981	1.6
504.21103	0.8
505.21530	0.2
510.22382	14.8
511.22849	0.3
536.23901	1.1
537.24371	0.5
574.18982	0.2
665.59259	0.2
731.25848	0.6
732.26019	0.4
877.47089	0.2
1019.54626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01337	1.7
71.04986	4.1
71.52419	1.0
73.02922	4.7
79.05495	48.8
79.14147	0.9
81.03423	7.9
81.07058	65.0
83.04991	8.4
83.08617	11.8
85.02908	22.4
85.06535	3.5
87.04459	3.2
91.03946	9.7
91.05484	30.6
93.07047	49.5
95.04987	8.1
95.08610	46.9
97.02892	12.0
97.06516	7.0
97.10169	14.9
99.08109	1.1
103.03902	1.4
105.04508	2.6
105.06403	1.6
105.07042	18.9
107.04949	3.7
107.08595	32.0
109.02882	2.0
109.06495	2.6
109.10156	65.3
110.28411	1.0
111.04457	1.3
111.08070	4.1
117.07014	9.1
119.08589	22.3
119.09402	1.0
121.06512	1.3
121.10147	22.2
123.08035	2.9
123.11681	4.5
125.09630	13.6
127.03903	4.1
129.05449	2.0
129.06952	2.7
131.08568	14.1
133.10136	11.8
135.08058	1.9
135.11710	14.4
137.09621	4.0
137.13277	1.8
139.11198	1.9
143.08586	1.7
143.10689	3.0
145.04945	3.8
145.10126	11.5
147.08089	1.2
147.11731	6.3
149.09636	2.0
149.13268	8.8
153.12695	2.4
155.08537	1.9
155.10622	4.7
157.10129	2.0
159.11743	6.2
161.13284	5.6
163.05997	4.9
163.11203	7.4
163.14801	4.5
165.12714	1.5
171.11711	1.7
173.04376	1.4
173.09605	1.5
173.11734	14.7
173.13249	5.7
175.14899	1.6
177.16438	1.6
181.12219	2.5
183.11726	1.3
185.13213	2.1
187.14830	3.7
189.11252	1.7
191.10573	1.3
193.12216	3.3
199.13322	7.8
199.14897	1.8
207.13615	1.0
209.11697	7.7
211.13249	1.6
217.14491	1.5
227.12732	7.9
229.14357	55.0
243.21159	5.3
245.13704	2.2
249.45528	1.3
257.13837	3.3
259.20615	2.4
261.22162	20.3
267.15912	6.8
271.20450	1.0
273.22156	1.0
277.21683	1.9
283.15414	2.6
301.16489	21.4
315.23264	2.1
317.24768	4.0
327.23102	2.4
335.25815	100.0
336.26053	2.2
363.25336	2.4
389.26715	1.2
399.23804	12.5
451.31900	1.3
459.34695	1.8
469.33112	1.3
477.35855	9.3
489.35803	28.0
507.36206	1.6
525.35614	1.5
543.37048	5.4
545.38556	1.4
561.37781	13.4
579.38849	7.8
659.45166	42.0
924.99524	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	16.3
56.96548	2.6
59.05003	100.0
67.51047	0.7
70.86931	1.7
75.22589	0.6
79.01848	0.7
81.89437	0.6
83.04981	40.2
85.02910	1.6
90.33159	0.6
101.06017	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	1018.5948
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01350	2.4
71.04990	6.3
73.02909	6.3
78.16837	1.3
78.60282	1.3
79.05027	1.4
79.05496	59.2
81.03431	14.7
81.07061	75.2
82.69421	1.3
83.01324	1.5
83.04979	11.0
83.08624	17.6
85.02445	1.7
85.02914	25.2
85.06538	1.9
87.04483	6.5
91.03960	10.2
91.05485	39.2
93.07046	53.2
95.04987	9.3
95.08610	57.3
97.02904	12.7
97.06530	5.2
97.10163	18.5
97.21786	1.3
99.04473	1.7
99.08101	2.1
103.03956	1.6
105.04498	2.9
105.07037	19.6
107.04934	3.9
107.08596	33.8
109.06502	5.1
109.10162	73.8
109.34338	1.5
111.04463	1.8
111.08076	5.2
111.11771	1.4
111.12916	1.3
117.07005	10.8
119.08587	22.1
121.06486	1.6
121.10150	25.1
123.08082	4.1
123.11723	4.6
125.09631	17.3
127.03907	5.5
129.05515	2.9
129.06955	1.9
131.08577	16.1
133.10130	9.9
135.07948	2.2
135.11691	16.1
137.09612	5.8
137.13254	2.9
139.11194	1.8
143.08524	4.0
143.10715	3.2
145.05016	6.7
145.10130	13.8
147.08081	1.5
147.11684	10.3
149.09662	1.7
149.13274	9.2
151.11163	1.3
153.12723	5.0
155.08536	2.1
155.10651	5.8
157.10109	2.9
159.11688	9.1
161.13260	4.6
163.06010	2.7
163.11203	12.7
163.14848	4.3
171.11618	2.5
173.09698	2.2
173.11746	16.0
173.13278	7.8
175.14726	1.7
177.16423	1.9
181.12242	3.4
185.13239	1.5
187.14873	5.0
191.10698	2.7
193.12259	2.5
199.13269	7.6
199.14864	1.8
209.11736	5.5
211.13252	3.1
217.14230	2.0
227.12794	10.8
229.14360	70.9
243.21123	5.9
245.13756	1.5
259.20663	1.6
261.22147	22.9
267.15988	6.7
283.15543	1.9
301.16479	22.2
308.29041	1.4
315.23203	2.4
317.24677	4.9
327.23227	2.4
335.25824	100.0
345.24261	2.3
363.25378	1.8
389.26956	1.6
399.23825	23.9
415.32114	1.5
459.34784	2.3
469.32965	1.5
469.63785	1.7
477.35748	8.9
480.48126	1.4
489.35818	25.0
525.35388	1.4
543.36676	9.1
561.38025	16.6
579.39050	7.0
659.45245	42.3
660.44751	1.9
914.79626	1.7
1018.57031	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	429.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54560	0.9
56.14156	0.8
58.75129	1.0
59.01380	100.0
60.01713	1.4
61.98826	2.6
69.94798	1.0
77.83379	0.8
95.46598	1.0
102.22174	0.9
113.72002	0.8
194.45511	0.9
203.45790	1.0
233.82309	1.2
244.60338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01719	1.1
60.83447	0.3
61.98835	1.6
63.17809	0.3
69.67248	2.2
73.01703	0.4
89.02462	0.4
91.03999	2.5
94.75463	0.4
96.38041	0.4
96.96043	0.5
97.34852	0.4
97.72586	0.3
109.30793	0.4
116.69950	0.5
116.92895	0.7
138.85844	0.4
195.13942	1.3
277.14517	0.3
277.21689	0.8
295.22754	13.9
296.23212	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46528	0.5
59.01378	100.0
60.01696	1.0
61.98845	0.9
62.80737	0.4
71.41456	1.0
91.04025	1.2
92.69997	0.5
98.05684	0.6
141.30356	0.5
165.53098	0.4
179.77739	0.5
195.13962	0.6
228.41405	0.5
277.22000	0.9
295.22754	11.5
295.25830	0.7
296.23193	0.9
381.55243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
58.61111	0.4
59.01385	3.2
61.98829	100.0
68.72678	0.5
71.01393	0.8
71.51581	0.8
76.74380	0.4
81.65037	0.4
85.02965	0.4
101.02439	0.7
103.00422	0.4
123.04529	0.8
125.02432	0.8
128.03516	1.1
130.08792	0.5
130.67567	0.5
161.02444	0.4
188.07277	0.4
259.14001	0.4
266.12494	0.5
329.11902	0.5
431.21030	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.0
61.98829	100.0
71.01387	0.8
73.02949	0.4
86.82555	0.3
87.62142	0.3
89.02467	1.2
99.00878	0.6
99.78512	0.2
101.02440	0.7
101.29839	0.2
105.01578	0.2
149.04585	0.4
267.09949	0.4
355.95700	0.3
393.89899	0.3
413.20474	0.5
431.15582	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	430.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72506	1.4
51.32615	1.7
59.01387	3.4
59.07861	1.4
61.98829	100.0
71.21664	3.0
78.95906	1.7
79.80038	1.5
83.80573	1.4
96.94664	1.5
117.26317	1.6
152.99568	3.6
169.86597	1.8
249.41493	1.7
416.49454	1.8
430.30096	3.6
431.31329	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	431.0981
Annotation	LMPK12110338
Peak:m/z	Relative Intensity
52.28107	0.4
57.03452	0.5
59.01378	8.4
59.03081	0.4
61.98822	2.9
65.00317	0.7
70.54238	1.3
71.01378	2.2
73.02937	1.2
77.03966	2.5
79.01875	1.3
83.01387	0.6
87.00867	0.9
87.17643	0.5
89.02484	0.6
93.03468	2.2
99.00887	0.7
101.02435	1.3
105.03455	1.1
107.01363	0.5
110.24557	0.5
113.02410	0.6
117.03462	12.4
117.04279	0.8
119.05019	1.3
121.03007	2.4
125.02445	1.2
133.02982	0.9
135.04495	2.0
137.02426	0.5
145.02933	1.2
147.04544	0.7
147.81859	0.6
149.02419	2.0
156.99741	0.4
159.04501	2.1
161.02466	4.9
163.00305	1.1
163.03999	3.5
163.11357	0.5
165.01883	1.8
165.06558	0.5
173.02461	1.0
173.06105	0.6
179.03455	0.5
181.06537	0.7
183.04494	1.2
183.08098	0.9
187.02473	0.4
190.02641	0.5
191.03371	0.6
195.08160	0.7
196.05312	0.7
197.06010	0.9
203.03439	1.1
205.12334	1.1
209.06139	0.7
211.07607	1.3
215.06938	0.6
224.04813	1.1
225.05521	0.6
227.03558	0.5
230.79622	0.4
237.05603	0.7
238.06442	0.6
239.07082	2.5
242.02292	0.5
253.05013	1.2
254.05794	0.6
267.06659	0.5
268.03793	2.4
269.04477	6.3
281.04572	9.9
282.05316	5.3
283.06110	62.2
284.06433	4.8
293.04645	2.4
295.06085	4.8
308.03534	0.6
309.03894	1.3
311.05597	100.0
312.05920	7.5
314.04330	1.8
323.05597	9.3
325.07083	0.5
330.81979	0.4
341.06647	26.4
342.06958	2.0
353.06580	1.4
371.16602	0.6
413.08911	2.2
416.61606	0.5
431.09805	65.1
432.10165	6.4
442.35022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1555
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
55.01875	0.7
58.00588	2.2
59.01378	59.2
61.98820	2.4
67.11727	0.6
69.03466	0.8
71.01382	41.2
72.99293	1.8
73.02947	12.9
75.00864	1.4
76.13662	0.6
83.01366	1.5
85.02956	5.4
87.00886	1.3
88.98787	1.1
89.02444	63.8
90.02810	0.6
95.01366	1.4
97.02962	1.1
99.00877	24.2
99.75491	0.6
100.01237	1.0
101.02438	22.9
101.03107	1.2
113.02467	8.6
119.03535	7.7
119.05020	18.2
125.02451	2.3
131.03494	6.5
137.06102	1.2
143.03487	1.0
149.03360	1.1
149.04553	22.1
149.83148	0.5
161.04536	1.7
179.05547	1.2
183.42493	0.6
191.05569	7.4
195.05074	3.1
221.06628	0.9
229.34367	0.6
251.07655	2.2
299.11328	6.2
383.27130	0.6
413.29944	0.7
431.15558	100.0
432.15857	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	431.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	2.7
59.01384	5.0
61.98830	2.7
68.98901	0.4
69.33178	3.5
71.01380	1.3
73.02958	0.5
73.04058	0.7
84.04547	0.8
84.64693	0.5
87.05637	19.6
89.02429	0.9
97.04079	1.0
98.19885	0.9
99.00920	0.5
100.04058	1.2
101.02402	0.9
101.07204	1.1
110.02475	3.4
111.05633	1.2
112.04085	1.0
117.77332	0.4
126.06734	1.3
127.05140	1.6
128.03589	0.6
129.06706	23.4
129.10310	0.9
130.07072	0.6
130.08678	0.7
139.08798	1.0
141.10294	1.1
142.20966	0.5
143.08296	0.6
143.11914	0.9
144.07788	4.1
148.04372	15.9
155.11906	1.4
161.54871	0.4
168.07736	1.9
169.06189	0.5
169.09839	2.4
169.13474	4.1
169.85242	0.5
175.09097	0.5
184.10797	0.4
186.04713	2.3
186.08830	1.6
187.07309	0.5
195.11418	1.1
196.14600	0.5
203.08678	0.6
213.12389	1.6
214.15576	0.5
217.13762	5.2
226.15620	2.6
232.11215	2.0
243.11707	2.0
261.12753	2.6
269.04346	0.6
274.15952	7.9
279.18402	0.7
283.06314	0.6
311.05539	0.9
318.15213	0.5
345.19537	4.7
387.20654	1.6
431.19647	100.0
432.19952	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	431.2203
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
59.01374	2.5
61.98815	0.8
70.86832	0.3
71.21277	0.5
72.28975	0.3
78.95903	55.3
88.98791	0.4
96.96957	6.4
103.07093	0.4
104.71014	0.3
124.58028	0.3
150.98016	1.6
152.99582	100.0
153.99911	1.3
171.00633	4.0
277.21780	0.6
431.21997	7.7
431.31421	0.9
432.22247	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39830	0.4
57.03453	0.9
59.01380	100.0
60.01726	1.1
61.98840	1.6
62.83958	0.5
71.01388	6.1
71.51968	0.7
72.53790	0.5
73.02953	2.5
75.00840	0.4
77.07760	0.5
79.51876	0.4
79.66942	0.5
80.47861	0.4
83.01408	0.8
85.02957	2.3
87.00877	0.5
89.02438	3.6
92.35909	0.4
94.03013	0.9
94.76473	0.5
95.01421	0.8
95.03342	0.4
99.00880	0.5
101.02444	3.8
103.06404	0.5
109.29790	0.5
111.08120	0.5
112.08442	0.7
113.02431	3.0
115.92099	0.5
116.92875	0.8
118.92733	0.5
119.03519	1.6
119.05078	0.4
125.02467	0.4
130.08733	0.5
143.03532	0.7
159.03053	0.9
159.46062	0.4
161.04526	3.0
179.05641	1.1
207.00986	0.5
265.14383	0.5
311.05704	1.2
371.20935	0.8
400.30511	0.4
413.16931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03461	0.7
59.01379	100.0
60.01707	1.0
61.98833	0.8
68.16100	0.4
71.01378	6.8
73.02954	1.3
73.56517	0.3
83.01419	1.0
83.88840	0.4
85.02958	2.3
89.02441	3.9
94.02993	0.9
95.01403	0.5
95.03343	0.4
101.02448	4.0
101.92397	0.4
103.00361	0.7
111.08190	0.5
113.02444	2.8
119.03507	1.9
125.02449	0.5
131.03506	0.4
143.03549	0.5
149.57123	0.3
159.03024	0.5
161.04541	3.0
173.08232	0.7
174.08534	0.7
179.05661	1.3
239.16643	0.4
311.05823	0.8
341.06540	0.4
347.80075	0.4
371.20883	1.1
389.22061	0.4
401.16635	0.7
431.09885	0.8
431.23224	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.4
59.01381	2.8
60.78896	0.2
61.98836	2.0
67.46885	0.2
69.50861	1.5
71.01389	1.9
71.05025	2.4
72.02151	1.4
73.02959	0.5
75.00852	0.2
81.43122	0.2
83.01408	0.2
85.02967	1.7
87.04514	66.7
88.04855	0.9
89.02462	0.3
95.01391	0.4
95.05010	0.5
99.04521	3.3
101.02441	1.1
101.06076	0.6
103.00349	0.3
113.02431	1.4
123.04531	2.5
123.08126	0.4
125.09692	0.4
137.09718	0.8
139.37013	0.2
149.06140	0.2
155.10660	0.3
156.99727	0.2
161.13316	0.4
177.57626	0.2
189.16417	0.8
191.14412	0.3
193.57611	0.2
207.17540	3.9
208.17723	0.3
209.15480	1.1
251.16475	0.5
269.17566	100.0
270.17892	7.5
283.15536	0.2
285.04080	0.3
293.17651	2.3
305.17505	0.3
311.18246	0.3
315.05060	0.5
323.18793	0.6
361.56973	0.3
431.10034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17594	0.3
55.01881	2.1
57.03465	1.7
58.00577	1.1
59.01381	28.6
61.64372	0.3
61.98827	2.1
69.19599	0.9
69.20023	1.8
71.01384	27.8
72.01733	0.4
72.99302	1.0
73.02944	6.5
80.81771	0.3
83.01385	3.3
85.02951	12.7
86.61591	0.3
87.00885	1.4
87.04526	3.3
89.02444	10.0
89.61136	0.3
95.01386	2.7
97.02922	0.4
99.00879	2.5
99.04487	0.5
101.02442	18.0
103.00381	0.4
113.02455	10.2
119.03487	3.0
125.02483	0.5
129.01930	0.4
143.03430	0.4
155.10760	0.4
158.22270	0.3
159.02962	0.6
161.04576	2.6
181.12444	0.3
184.48560	0.3
207.17494	0.4
216.45189	0.3
251.16483	0.7
269.17535	1.0
279.05692	0.3
314.99921	0.3
387.24054	0.7
413.21661	0.5
426.34842	0.4
431.22830	100.0
432.23193	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	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
57.03444	1.0
59.01379	100.0
60.01698	0.6
60.76439	0.4
61.98828	9.9
66.87521	0.4
69.03442	0.4
70.46999	1.2
71.01378	13.2
72.99316	0.7
73.02944	5.2
73.71912	0.4
75.00894	0.6
83.01385	3.5
85.02946	6.4
87.00905	0.6
89.02441	4.4
90.62073	0.4
95.01392	0.9
99.00849	2.5
101.02443	10.4
103.00370	3.2
111.00893	0.9
113.02442	6.2
117.60580	0.4
119.03529	1.4
125.02531	0.5
127.00373	0.5
136.19391	0.4
138.54614	0.4
139.11293	1.3
141.15071	0.5
143.03513	0.8
153.99860	0.4
154.99875	10.9
155.01102	0.7
155.10789	0.5
159.03026	0.8
161.04558	8.7
179.05594	0.7
181.12386	0.4
183.10281	1.7
187.02557	1.1
209.11829	0.6
209.15494	1.2
219.79576	0.5
227.12918	0.5
227.16437	0.5
243.12384	4.9
243.14636	0.5
244.12790	0.7
268.03824	0.6
269.14014	2.2
269.17688	0.9
287.14883	0.7
371.20734	22.0
372.21246	2.3
431.10147	0.5
431.23145	9.2
432.23227	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	432.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12783	1.1
59.01381	5.4
61.98831	100.0
69.23822	8.7
70.63805	1.0
84.24258	1.1
116.81911	1.0
116.92867	1.8
142.68018	1.2
146.77502	1.1
169.30167	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	432.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44506	1.2
59.01382	5.8
61.98830	100.0
69.76128	2.4
69.76522	3.3
78.95901	11.2
85.69965	1.3
96.71888	1.2
96.96966	1.7
101.35088	1.0
135.04507	4.1
152.99586	16.4
153.99867	1.6
194.07764	1.2
291.68521	1.2
306.45151	1.2
338.22107	3.4
350.67111	1.2
405.64474	1.5
432.22495	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33092	1.2
59.01375	5.8
61.33069	1.2
61.98831	64.2
66.81882	1.1
70.80599	3.4
73.59768	1.2
80.05060	6.7
86.95889	1.3
94.06638	6.7
95.03777	1.4
96.08207	2.2
97.01681	3.7
104.05073	1.5
106.03052	1.4
106.06639	3.3
108.04523	3.1
108.08186	2.7
109.01656	1.2
109.05357	1.8
109.08511	1.2
110.06093	2.1
113.02430	1.5
116.04951	1.3
120.04552	5.1
121.05328	3.7
122.06138	28.9
124.03995	1.7
124.07688	27.6
132.04588	1.9
136.04097	9.0
136.07683	56.4
137.07126	1.4
137.08041	22.5
138.05670	1.4
140.07185	2.3
148.04050	52.4
149.04375	2.2
150.05612	20.2
152.03561	2.3
153.04300	2.5
160.04089	1.7
162.05594	2.0
166.05103	14.0
168.06668	5.0
174.05612	1.5
176.07108	1.4
178.12421	1.3
194.04576	3.1
210.04039	3.4
212.03111	1.2
214.07486	1.5
215.11835	1.3
220.36079	1.2
223.08749	2.4
224.09169	2.5
225.09804	1.3
228.09053	1.3
229.10025	1.3
229.13321	2.0
231.11333	4.8
239.11876	8.2
240.12314	7.6
241.09975	2.4
243.11465	4.2
251.11729	1.5
252.12326	2.3
253.06227	2.5
254.06441	4.4
255.11469	2.2
266.10089	1.3
268.08334	2.8
269.08893	2.0
273.09518	1.7
273.12457	29.9
274.12769	2.1
283.10870	16.8
284.11212	31.9
285.11395	1.4
291.13516	33.1
292.13739	2.6
296.11230	5.4
297.12015	1.4
317.11475	10.3
334.11728	3.5
335.12482	96.0
336.12589	7.1
371.24289	8.3
389.20721	11.9
405.19931	2.0
433.19611	100.0
434.20200	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	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58927	0.5
55.01880	1.2
55.98147	0.6
57.03447	100.0
58.03783	1.5
59.01378	73.3
60.01711	0.7
61.98832	21.2
70.14458	2.6
71.01383	20.9
72.99314	0.8
73.02950	7.7
74.64427	0.6
75.00889	0.8
79.60927	0.7
80.61633	0.6
81.03471	0.7
81.38670	0.7
83.01402	3.6
85.02950	9.8
87.00915	0.8
89.02475	1.9
95.01392	1.5
97.02961	0.7
99.00914	2.8
99.04517	75.7
100.04891	1.9
101.02441	29.8
113.02451	9.1
125.02446	23.2
126.02821	0.9
127.11252	0.9
136.07680	5.8
137.08029	1.7
143.03568	1.8
150.77629	0.8
159.03056	2.2
161.04556	7.1
162.83961	2.3
164.83580	1.2
283.11053	0.7
284.11307	1.7
289.16565	21.7
290.17145	1.1
305.86337	0.6
309.64114	0.7
331.17795	1.8
356.81668	0.7
393.22580	0.8
433.19897	8.5
434.20474	0.9
440.72446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03445	1.6
58.00595	0.8
59.01381	100.0
60.01726	0.8
60.50534	0.5
61.01797	0.7
61.98815	0.5
70.55888	1.2
71.01382	26.5
71.05008	0.9
72.99312	0.5
73.02946	4.9
75.00899	0.9
77.05093	0.6
81.03450	0.5
83.01393	3.1
85.02952	10.2
87.00895	1.3
87.04533	0.9
89.02445	16.5
95.01398	2.1
99.00891	1.9
99.04530	0.8
101.02441	17.7
103.00362	2.3
111.00899	0.7
113.02456	11.6
119.03504	7.3
129.02023	0.5
131.03491	0.8
143.03488	1.2
149.04539	0.6
159.03020	1.5
159.06616	0.5
161.04555	10.2
165.04062	1.3
179.05624	3.8
181.12331	0.7
183.86409	0.5
184.07736	0.6
186.76590	0.4
241.10732	0.7
243.15941	0.8
243.44244	0.4
244.98813	0.4
271.02429	0.5
271.19095	5.1
373.22302	3.3
433.24469	32.0
433.73718	0.5
434.24762	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	434.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79509	0.1
52.69572	0.1
55.93060	0.1
59.01385	0.2
61.98829	100.0
62.98529	0.1
67.93789	0.1
69.67137	0.3
69.67525	0.3
75.88139	0.1
90.15047	0.1
97.00717	0.1
98.20734	0.1
103.39387	0.1
105.35321	0.1
108.08198	0.2
115.43763	0.1
121.05347	0.4
131.03806	0.2
132.04567	0.4
136.07675	9.3
140.28120	0.1
158.02466	0.7
159.02867	0.1
162.05653	0.3
190.05089	2.5
192.06781	0.1
194.09747	0.1
222.07689	2.8
223.08141	0.2
234.07793	0.2
307.86206	0.1
311.13956	0.1
339.13782	0.3
371.16083	9.8
371.99292	0.1
372.16315	0.8
456.74979	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	434.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
61.79827	0.2
61.98830	100.0
67.86366	0.2
70.08821	0.8
88.29937	0.2
108.08218	0.4
108.12860	0.2
116.92864	0.3
121.05333	0.3
131.03777	0.4
132.04549	1.4
136.07678	10.3
137.08055	0.4
146.06204	0.2
153.04276	0.2
158.02466	0.6
162.05675	0.3
190.05116	2.8
222.07668	2.8
261.07391	0.2
339.13489	0.4
371.16098	11.1
372.16318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.6
57.03441	1.7
59.01378	38.0
61.98807	1.9
64.92059	1.2
65.36624	1.3
68.99803	3.0
69.03442	4.9
71.01384	19.7
72.99299	7.8
73.02939	5.5
75.65253	1.4
79.15010	1.2
80.32772	1.3
81.03430	4.5
83.01392	2.3
84.33642	1.4
85.02953	13.3
87.00854	4.4
87.04507	7.2
89.02444	3.4
97.02951	6.5
99.00877	8.1
99.04523	2.1
101.02442	27.3
101.06081	100.0
102.06416	2.5
113.02456	9.5
115.07651	87.4
116.07941	2.3
119.03500	3.4
125.02452	8.6
137.02414	1.5
139.03915	2.0
143.03476	9.4
143.07135	16.1
144.07422	1.8
161.04523	4.6
167.03545	1.6
173.08112	2.8
191.09222	1.5
197.08165	2.3
203.09210	7.1
220.38890	1.3
245.10291	1.8
402.11758	2.7
435.11902	1.5
435.29556	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	434.1965
Annotation	Cryogenine
Peak:m/z	Relative Intensity
50.26462	2.1
58.02975	15.9
59.01377	17.7
60.01714	1.8
61.98828	52.4
66.03484	2.1
69.32294	15.8
71.01376	3.9
74.02468	31.3
74.72893	1.8
81.04586	3.6
82.02964	2.3
83.01377	2.7
86.02505	12.0
86.06142	2.9
87.05629	6.1
89.02453	2.1
97.04058	4.8
99.05637	29.4
101.06113	2.3
101.07181	4.5
102.05634	6.4
107.06099	2.3
109.04059	5.5
111.05602	2.7
112.04050	4.3
115.00371	1.8
115.07662	2.5
123.04496	3.3
125.02439	3.9
125.03534	5.0
126.04359	2.2
127.05161	6.7
128.03542	77.9
135.05634	9.0
137.09674	2.4
138.05556	2.1
141.06712	5.9
143.04623	98.7
144.04982	3.8
145.06160	5.7
146.04607	13.3
153.06682	5.7
155.08243	2.6
161.10039	14.7
166.09828	5.7
167.03490	13.0
167.04703	4.1
167.08226	7.6
170.03310	4.4
179.04643	27.0
181.06218	3.6
185.05702	2.4
192.07790	4.3
197.05638	6.4
210.08830	26.5
254.07809	55.5
255.08345	2.6
272.08868	68.4
273.09113	3.2
285.76328	1.9
305.15399	6.7
407.96912	2.1
416.18555	13.9
434.19653	100.0
435.12518	3.2
435.20053	10.3
441.93317	2.0
447.08487	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	435.156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38548	0.3
59.01365	0.8
61.98830	2.8
69.62944	1.2
69.63359	0.5
78.08820	0.3
98.19902	0.4
107.03763	0.3
108.08192	6.1
110.02493	0.4
121.05341	6.6
135.03232	1.0
135.94415	0.3
136.07683	100.0
137.08043	3.2
138.14836	0.3
141.06886	0.3
144.78569	0.3
150.01918	0.7
152.03519	1.4
153.04318	4.6
154.06645	1.1
168.04514	0.4
171.06912	0.5
182.06157	2.9
183.06892	0.7
184.07643	1.5
185.08244	0.3
190.47560	0.4
196.07669	0.6
198.05583	1.8
199.06372	0.9
210.05608	6.2
211.06288	0.6
212.07108	0.6
214.08762	0.4
224.07233	0.6
226.05084	3.7
227.05844	2.7
230.08412	0.4
239.05791	0.6
240.06712	2.4
242.08205	5.7
247.53481	0.3
254.04582	7.4
255.04848	0.4
256.02533	0.5
258.07718	0.7
266.04553	2.1
267.05136	0.9
271.04889	0.6
285.06741	0.4
286.07214	17.7
287.07513	1.3
298.07224	2.4
299.07944	0.4
375.13159	0.5
389.68167	0.4
396.22000	0.4
403.12970	0.5
407.16107	5.1
427.27316	0.4
435.15588	83.2
436.15921	8.2
441.85904	0.3
450.91855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
61.98831	47.2
71.06914	0.5
71.07256	1.0
71.60308	0.4
74.15938	0.5
78.95914	0.7
87.69540	0.4
88.98828	0.4
93.28514	0.4
97.42798	0.4
108.08199	8.1
121.05336	6.8
135.03273	1.1
136.07683	100.0
137.08052	3.9
151.83574	0.4
152.03598	0.9
153.04361	3.7
159.49207	0.5
171.06891	0.5
182.06091	2.3
183.06888	1.0
184.07651	1.6
196.07567	0.8
198.05547	1.5
199.06308	1.1
210.05595	6.3
211.06285	0.7
212.07266	0.6
224.07317	0.7
226.05116	4.9
227.05861	2.1
238.04942	0.5
239.05824	0.9
240.06679	2.2
242.08228	7.9
243.08607	0.9
254.04590	7.3
254.51112	0.4
256.02301	0.5
258.07822	0.5
266.04669	2.4
271.04944	0.6
277.48608	0.4
286.07233	16.4
287.07458	0.9
298.07242	3.5
331.14349	0.6
375.13074	0.7
397.99197	0.4
403.12857	0.7
407.16159	5.0
435.15610	82.8
436.15936	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	435.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01378	21.0
62.48446	0.4
70.03392	2.5
71.01379	1.0
72.93181	0.5
73.02949	3.4
89.02454	0.7
100.16705	0.5
101.02445	25.1
113.02448	1.0
128.67276	0.5
139.10219	1.1
139.11295	17.3
172.63066	0.5
181.12349	10.6
183.10258	25.9
184.10571	1.2
191.05606	1.1
199.13414	2.5
225.11310	6.3
243.12363	100.0
244.12715	6.7
285.13351	2.6
315.14517	0.7
321.27939	0.7
345.15436	3.8
435.18646	2.5
436.19226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66030	0.4
59.01374	1.8
61.98830	100.0
70.01733	2.0
81.95139	0.4
88.98803	0.8
108.08192	1.8
121.05349	1.4
131.03249	0.4
136.07680	22.9
149.06068	0.5
153.04324	0.8
182.06079	1.2
198.05576	0.8
210.05699	0.9
226.05193	0.8
227.05876	0.7
242.08299	1.6
254.04585	2.3
265.60077	0.5
286.07196	3.7
298.07172	0.5
407.16357	1.0
435.15594	19.3
436.16034	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	435.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.4
59.01379	100.0
60.01699	1.2
61.98829	13.3
64.79832	0.6
71.01381	13.0
71.51818	1.0
72.99327	0.8
73.02946	3.2
73.04042	1.3
74.02475	1.4
79.03612	0.6
79.13350	0.7
83.01398	2.0
85.02938	4.3
87.00903	1.6
88.04057	2.5
89.02443	11.6
95.01414	1.2
96.00928	1.0
98.00363	0.7
98.02505	1.7
99.00921	1.2
101.02437	10.3
101.03027	1.0
103.00375	3.9
109.02979	0.9
110.02478	2.9
113.02441	6.3
113.03542	0.6
115.08760	1.1
118.06661	1.6
119.03496	6.0
119.05019	1.0
120.01276	1.2
121.03020	2.1
125.02491	0.9
128.03612	0.9
129.01942	0.7
131.03526	1.0
135.00929	0.6
143.03485	1.6
144.91646	0.6
147.04559	1.1
149.04559	0.7
149.06216	1.0
159.02995	0.7
161.04530	4.7
163.04021	1.1
164.07176	2.2
171.10269	0.7
179.05643	2.5
180.78479	0.6
199.09703	1.0
217.13544	1.5
225.88765	0.7
243.12437	1.8
263.14017	0.7
273.16373	0.9
357.19345	1.0
375.20251	17.0
376.20309	1.3
391.19962	2.7
400.15195	6.5
417.17780	2.0
420.94989	0.7
435.17505	1.1
435.23337	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	435.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	30.9
58.03800	0.9
58.65875	0.4
59.01377	24.9
61.98829	100.0
63.56770	0.4
63.80124	0.4
69.67368	2.5
71.01384	4.4
73.02951	2.2
75.00903	0.5
83.01398	1.3
85.02930	2.4
89.02454	0.5
89.77362	0.4
93.03498	0.7
99.00871	0.9
99.04517	24.6
100.04906	0.6
101.02438	8.8
113.02458	2.5
125.02432	6.9
134.03772	0.7
134.83139	0.5
136.07680	0.6
148.04039	0.7
149.06073	0.9
159.02985	0.5
161.04565	1.8
185.11800	0.6
241.05144	0.5
291.18115	9.1
337.13129	0.8
372.24814	1.2
373.25934	5.8
428.39844	0.4
435.21814	1.9
445.51041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.7
57.03450	6.7
57.24609	0.3
58.00589	2.2
59.01379	49.5
60.01722	0.4
61.20916	0.3
61.98529	0.5
61.98829	5.3
67.01880	0.4
68.99834	0.5
69.03448	2.8
71.01380	100.0
71.05023	1.1
71.51900	0.4
72.01716	1.3
72.99313	3.8
73.02945	41.4
74.03257	0.4
75.00880	1.7
81.03455	2.1
83.01385	26.9
83.05037	0.5
84.01706	0.4
84.02190	0.5
85.02949	50.9
86.00099	0.3
86.03304	0.8
86.72466	0.3
87.00870	4.2
87.04510	0.9
87.99065	0.3
89.02446	13.6
93.93300	0.3
95.00916	0.2
95.01386	7.6
97.02950	5.5
99.00880	13.9
99.04523	0.9
100.01170	0.3
101.02441	77.9
102.02773	1.4
103.00395	0.5
103.04005	8.2
107.01374	0.3
109.02950	0.4
111.00892	0.9
113.02449	34.3
114.02804	0.9
115.04001	0.7
116.01244	0.3
119.03496	5.0
123.04485	0.3
125.02448	9.7
127.04015	1.0
127.11299	3.6
129.01941	1.7
129.09216	1.7
131.03516	1.2
141.01941	0.4
143.03488	5.3
145.05078	2.2
152.07233	0.3
159.02995	7.9
161.04550	44.3
162.04892	1.2
163.06117	5.4
164.06467	0.3
167.10713	0.4
171.55856	0.3
187.06155	0.5
193.12352	0.4
205.03496	0.9
205.07108	0.9
211.13417	0.9
229.07149	2.3
243.82344	0.3
245.01385	0.3
247.08247	4.9
248.08836	0.3
256.66226	0.3
281.78369	0.3
289.16556	84.2
290.16913	6.3
307.10413	1.0
333.15527	0.6
421.29926	0.3
435.22311	41.3
436.22681	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	435.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.7
57.03451	6.2
58.00595	2.0
59.01379	48.3
61.98829	8.6
64.01537	0.3
67.01892	0.4
67.11297	0.3
67.73153	0.3
68.99827	0.7
69.03455	3.5
69.97847	0.6
69.98260	1.1
71.01382	100.0
71.05000	1.0
72.01707	1.4
72.99307	4.0
73.02947	38.8
74.03278	0.6
75.00873	1.6
81.03461	1.8
83.01389	27.0
84.01744	0.7
85.02952	52.7
86.03284	0.7
87.00882	4.8
87.04527	0.6
87.10033	0.3
89.02446	12.3
95.00816	0.6
95.01391	7.4
97.02960	4.8
99.00881	14.5
99.01539	0.7
99.04514	0.8
101.02444	77.3
102.02778	1.2
103.00413	0.5
103.04015	8.0
109.02921	0.4
111.00907	0.9
113.02452	36.2
114.02789	0.7
115.04004	1.2
119.03502	5.7
123.04489	0.3
125.02441	9.7
126.02760	0.5
127.03992	1.2
127.11297	2.7
129.01965	1.7
129.02826	0.3
129.09218	1.1
131.03488	1.1
139.11302	0.5
141.01936	0.4
143.03496	5.4
145.05066	2.6
159.02986	7.6
161.04556	45.7
162.04900	1.0
163.06120	5.1
167.10805	0.4
169.12312	0.3
187.06210	0.3
193.12502	0.3
205.03477	1.2
205.07153	1.2
211.13420	0.5
229.07210	2.2
247.08234	4.6
248.08553	0.5
271.15298	0.4
289.16565	88.8
290.16940	5.4
304.66959	0.3
307.10275	1.0
435.22327	44.0
436.22693	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	436.136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89956	0.3
59.01376	0.5
59.04475	0.3
61.98830	100.0
69.97008	0.5
69.97422	1.1
88.22253	0.3
93.65720	0.3
94.06641	0.6
104.05054	0.7
104.52797	0.3
106.06712	0.3
107.03783	0.5
108.04552	1.8
120.58728	0.3
122.06123	5.3
124.07681	0.5
129.11098	0.3
132.04555	11.9
133.04872	0.4
134.06131	0.8
148.04079	0.9
150.05605	0.5
152.07169	17.7
153.07520	0.5
160.04045	0.5
176.03505	2.0
188.03546	0.3
189.04509	0.3
208.06195	1.0
238.10864	1.2
249.25107	0.3
269.12936	1.3
273.12479	1.2
297.12415	7.7
298.12964	0.8
313.11996	1.0
341.11380	19.9
342.11716	2.2
373.14035	23.8
374.14307	2.1
389.43320	0.3
400.16064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19289	0.3
50.70521	0.3
53.54900	0.4
59.01391	2.4
59.50895	0.4
61.98830	100.0
66.12617	0.3
69.33128	0.3
71.01376	0.8
85.02952	0.6
87.00893	0.5
96.96008	0.7
101.02493	0.5
110.02435	0.4
112.98599	0.6
113.02486	0.4
115.00404	0.8
118.48827	0.4
134.03813	0.4
134.06169	0.6
144.76343	0.4
149.06070	0.6
160.85605	0.3
171.10318	0.5
175.02544	1.2
193.87567	0.4
201.17709	0.3
243.06609	0.6
248.15555	0.4
260.86563	0.3
275.83612	0.4
278.86307	0.3
287.09244	0.4
373.25977	2.3
437.13300	0.6
437.44678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.4
59.01377	3.4
61.98830	100.0
63.92874	0.3
63.99256	0.4
69.51469	1.2
69.51878	0.6
71.01374	0.7
73.34592	0.3
83.20298	0.3
85.02892	0.3
93.03471	1.3
108.65967	0.3
109.03077	0.3
111.04509	0.4
112.79663	0.3
112.98614	0.4
113.02486	0.4
115.00368	0.5
115.92119	0.3
119.08752	0.3
128.70430	0.3
134.03677	0.4
136.01717	0.4
149.06075	0.6
164.83636	1.2
169.05055	0.6
175.02544	0.8
180.79134	0.3
214.04512	0.6
251.09436	0.4
266.34857	0.3
269.08194	0.4
277.21777	0.6
286.35577	0.4
309.09854	0.8
341.06628	0.4
342.07025	0.5
349.19818	0.4
373.25888	11.8
374.26395	1.2
436.19165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01375	1.9
61.98828	100.0
71.01405	0.2
71.23454	0.4
72.30545	0.2
77.27287	0.3
80.41224	0.3
83.90627	0.2
99.04533	1.0
100.04837	0.3
101.02468	0.3
125.06123	0.3
174.82175	0.3
185.11815	0.6
190.59650	0.3
196.05698	0.3
202.79108	0.3
205.57896	0.3
216.27728	0.2
232.52492	0.3
292.18695	0.4
373.25876	7.2
374.26361	0.7
376.57181	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42573	0.3
61.98830	100.0
66.43086	0.3
69.71745	1.2
96.96059	0.4
98.20635	0.5
189.78564	0.3
216.09938	0.3
244.44067	0.3
247.84935	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93497	0.3
55.01873	1.3
57.03444	2.3
58.00593	3.4
59.01380	80.3
60.01735	0.6
61.98830	13.1
69.03453	1.3
71.01382	65.0
71.51530	0.7
72.01712	1.0
72.99311	4.7
73.02946	16.6
73.59753	0.4
75.00883	1.3
81.03464	0.7
83.01392	3.3
85.02953	10.6
86.00130	0.5
87.00881	5.2
89.02445	100.0
90.02783	1.4
95.01398	2.4
96.95980	2.1
97.02948	2.6
99.00883	21.3
99.04538	1.4
100.01210	0.5
101.02444	44.6
102.02772	0.8
103.00361	1.0
107.47893	0.4
111.00917	1.1
113.02445	15.4
115.04029	1.5
116.92880	0.6
119.03496	9.9
125.02438	5.2
131.03505	27.7
132.03854	0.9
143.03537	2.3
149.04553	66.4
150.04916	1.6
155.03543	1.3
156.03857	1.0
161.04565	3.8
179.05615	3.1
187.09781	0.4
191.05615	18.8
201.11310	1.9
221.06735	1.2
233.06670	1.7
251.07756	3.2
261.13449	1.1
293.08719	1.9
305.16116	3.0
311.09906	0.6
377.18097	0.6
437.20325	33.3
438.20712	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	437.2028
Annotation	Ebracteatoside D
Peak:m/z	Relative Intensity
52.39990	0.5
55.01870	1.9
57.03438	1.8
58.00598	3.7
59.01381	92.0
60.01715	1.1
61.98829	10.2
69.03459	1.3
70.89133	1.1
71.01382	69.9
72.01712	0.9
72.99297	3.8
73.02950	16.1
75.00861	1.8
80.19946	0.5
81.03499	0.7
83.01402	3.4
85.02950	10.5
87.00872	5.7
89.02445	100.0
90.02782	1.1
95.01398	2.9
96.96011	1.6
97.02950	2.2
99.00886	15.8
99.01535	0.8
101.02447	47.2
102.02763	1.2
103.00370	0.8
111.00895	1.8
113.02449	19.4
115.04015	1.0
115.91991	0.5
119.03503	13.9
123.08181	0.5
125.02456	5.0
129.01967	1.0
131.03503	33.5
132.03857	0.6
143.03529	3.0
149.04558	67.7
150.04919	1.5
161.04596	3.9
169.32880	0.4
177.04007	1.0
179.05649	4.4
185.08228	0.7
191.05620	18.6
192.06189	0.6
194.64348	0.5
217.97888	0.5
221.06703	1.1
233.06720	1.9
251.07698	3.3
259.11932	1.2
293.08829	1.8
305.16132	2.4
332.96793	0.5
387.01245	0.5
437.20486	45.9
438.20847	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	438.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70076	0.3
58.90672	0.3
59.01377	21.5
61.98828	100.0
67.64075	0.3
69.73013	1.5
71.01391	2.1
73.02946	0.5
83.01431	0.3
85.02964	0.9
87.00886	0.5
87.85637	0.4
89.02466	0.3
98.20563	0.5
101.02457	0.5
113.02475	0.8
129.50150	0.3
152.36566	0.4
161.04617	0.5
192.04314	1.0
235.13394	0.6
249.83359	0.3
261.11307	0.6
285.04123	0.5
289.16595	2.0
336.10745	0.4
375.27719	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88010	3.7
57.06535	4.1
61.98537	6.6
61.98837	100.0
64.69260	3.6
67.47793	3.6
68.86903	4.4
69.36801	27.4
70.72515	4.7
71.53773	3.9
86.83408	3.9
153.79414	3.9
258.58719	4.0
405.73816	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	438.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.3
61.98830	100.0
71.01380	0.6
71.06923	0.2
85.02957	0.2
91.75877	0.2
93.03484	0.6
95.01406	0.3
101.02422	0.5
112.04073	0.3
113.02467	1.0
137.09732	0.2
169.05066	0.7
211.13440	0.3
285.04089	0.2
289.16565	0.4
351.03329	0.2
375.27499	7.5
376.27939	0.5
415.42389	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.9971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56910	0.9
55.30764	1.1
59.01374	2.5
61.98832	59.4
63.99235	1.9
64.18340	0.9
70.17807	1.9
70.18201	2.2
71.01394	1.9
72.99304	1.3
75.00858	1.6
80.91692	1.4
83.01410	1.0
84.93892	1.2
85.02946	1.2
96.15927	1.0
96.96017	12.3
98.95594	5.2
99.92585	51.9
100.92698	2.0
100.93356	10.4
103.00345	1.6
115.92077	100.0
116.92075	5.8
116.92850	31.4
117.03451	16.9
117.29577	0.9
117.92873	1.7
117.93650	1.3
119.05022	24.3
121.02901	1.2
125.02473	1.0
126.94874	1.8
132.02206	2.7
132.92323	1.4
134.03745	10.0
142.94423	1.5
145.02953	42.3
146.03259	2.6
147.02974	4.2
149.02441	1.2
156.92329	1.5
163.03990	12.3
168.96021	5.9
184.95479	8.8
200.96440	1.3
212.94963	16.3
215.95245	2.8
216.95976	1.1
217.96623	1.6
218.97496	4.5
230.93881	1.7
230.95976	13.1
232.95363	2.1
234.97037	4.0
241.49078	1.0
246.97012	7.1
247.97183	1.0
250.96457	3.7
274.96579	1.4
278.96036	1.9
293.06546	7.3
314.99567	3.8
330.99167	11.6
331.99442	1.8
358.98657	68.7
359.98914	7.3
376.99756	1.3
451.93948	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.9972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71634	0.9
65.28101	1.0
71.01383	1.0
72.99303	3.5
73.02944	1.3
75.00851	1.3
79.61724	1.2
85.02933	1.2
89.02473	1.0
91.57164	0.9
96.96011	24.4
98.20644	2.3
99.00868	1.0
99.92587	34.6
100.92654	1.9
100.93349	12.8
101.02393	1.2
101.96680	0.9
107.15233	0.8
107.78403	0.8
113.92603	2.3
115.92079	100.0
116.92085	4.8
116.92853	31.3
117.03453	10.2
117.92869	2.2
117.93629	1.2
119.05023	15.9
126.94967	1.1
129.01953	1.1
134.03755	3.1
142.94414	4.0
145.02957	41.9
146.03348	1.8
147.02907	4.7
153.41766	1.1
156.92354	1.1
163.04001	11.2
168.95987	4.0
184.95474	2.1
212.94977	16.0
218.97513	1.8
229.42824	0.9
230.96008	48.6
231.96133	2.9
234.97046	1.1
246.97021	2.5
247.60468	0.9
262.96503	3.0
278.96060	2.9
293.06732	12.3
316.97995	1.1
329.12701	0.9
349.00369	1.7
358.98602	7.1
376.99692	8.6
377.99881	1.7
379.16019	2.5
380.99283	1.2
392.39520	1.0
394.28992	0.9
408.98669	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
57.03448	34.3
58.03780	0.4
59.01381	12.7
61.98831	4.8
69.29195	2.4
71.01377	3.8
73.02937	1.5
73.83228	0.3
80.70097	0.3
81.03461	0.6
83.01386	1.2
84.59424	0.3
85.02950	1.1
87.00882	0.5
95.01392	0.4
95.88799	0.3
97.02930	0.3
99.00871	0.5
99.04520	26.5
99.92594	0.9
100.04834	0.6
101.02446	8.1
106.04260	0.8
113.02459	2.2
115.92088	1.4
123.04528	1.0
125.02448	12.7
126.02809	0.4
131.05009	0.9
132.05844	1.8
133.06596	100.0
134.06931	4.1
143.03514	0.8
149.06035	0.4
158.98090	0.3
161.04550	3.8
185.10384	0.3
198.28198	0.3
203.05545	0.9
211.13405	1.0
220.01395	0.3
235.13417	0.4
243.08774	0.5
283.02356	0.6
284.02933	0.4
285.04022	0.4
295.12030	0.9
337.12820	1.0
368.01303	0.4
391.17770	0.8
439.16516	0.9
439.24060	0.5
453.86603	0.3
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	Unknow
Peak:m/z	Relative Intensity
53.74145	1.3
57.03442	4.1
59.01379	20.4
61.98833	9.8
65.49741	1.2
68.99567	5.2
69.03447	2.6
69.15862	2.9
69.16259	11.9
71.01380	46.5
71.42632	1.1
72.01712	1.6
72.99303	6.5
73.02959	1.6
75.00870	33.6
75.52718	1.2
78.77303	1.3
83.01370	3.6
85.02948	7.7
87.00889	6.9
89.02439	4.5
95.01395	2.3
96.96017	1.9
97.02962	3.8
98.25206	1.2
99.00882	14.9
99.92584	2.7
100.60480	1.2
101.02441	2.8
103.00360	5.7
111.00877	4.9
111.04531	4.1
112.98595	6.3
113.02428	2.0
115.00401	2.4
115.92100	2.7
116.92817	2.7
119.05021	8.6
121.02919	3.1
123.04546	1.8
124.90906	1.3
129.01945	34.6
131.03493	3.6
133.02966	2.0
134.03757	7.4
136.01663	16.9
137.02422	3.9
138.58696	1.2
141.01965	4.3
147.04526	11.5
148.05331	1.4
149.02428	3.4
149.06068	5.5
151.04028	2.7
151.38345	1.3
153.05569	11.1
157.01465	1.4
159.03008	7.7
161.02446	1.8
162.06837	3.0
164.04810	1.4
175.02502	1.2
175.04004	3.2
177.04037	50.0
178.02725	3.0
191.07147	1.5
192.04279	25.4
193.05060	15.2
195.05081	6.6
195.06650	1.4
203.07129	1.7
209.11806	3.0
211.13403	7.1
217.99091	1.5
235.06059	4.9
250.30725	1.6
261.11301	18.0
270.85626	1.2
302.72528	1.4
309.09897	2.0
369.11685	2.6
370.09042	100.0
371.09433	7.7
408.43396	1.5
437.94620	1.6
439.16101	70.5
440.16745	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	439.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.4
59.01377	25.6
59.31654	2.0
61.98833	23.7
68.99825	3.0
69.03445	4.0
69.33150	5.3
69.33572	12.8
71.01382	76.4
72.99308	9.9
73.02943	3.1
75.00875	54.8
83.01381	4.7
83.05022	3.1
85.02946	14.8
87.00893	11.2
89.02434	9.6
93.03465	2.6
95.01387	3.2
97.02936	4.4
98.20614	3.1
99.00880	31.3
99.33601	1.9
101.02434	2.8
103.00388	12.1
109.03010	3.0
111.00881	3.5
113.02419	2.9
113.06145	2.2
119.05062	12.3
121.02930	3.1
129.01945	50.7
131.03519	7.0
133.02945	8.5
134.03751	13.1
136.01663	26.3
137.02437	6.5
141.01953	6.5
147.04501	20.7
149.02428	2.5
149.06064	8.6
151.04018	5.7
151.08337	2.0
151.52997	2.0
153.05554	17.9
159.02992	13.3
159.22569	2.1
161.02386	3.9
162.06870	2.4
163.04025	2.7
164.04735	2.9
171.10268	7.3
175.03984	4.2
177.04039	99.3
178.02756	3.3
178.04308	2.4
187.11288	4.5
191.51575	2.0
192.04286	48.1
193.05058	20.3
195.04994	10.3
201.23805	2.2
205.12288	7.4
209.11800	26.6
211.13405	28.6
227.12892	9.3
241.10805	2.1
261.11285	45.2
262.11612	3.4
370.09055	62.6
371.09293	3.8
403.14050	3.7
421.22131	3.2
427.88708	2.1
439.16119	100.0
439.22473	7.2
440.16446	8.7
448.50369	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	439.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45318	0.7
59.01380	100.0
61.98835	3.1
69.74369	2.6
70.23878	0.7
71.01383	11.2
73.02946	4.6
75.31973	0.7
80.56578	0.6
83.01394	1.8
85.02950	4.3
89.02435	3.9
95.01392	0.9
96.96051	0.8
99.00864	0.9
101.02441	7.2
113.02464	4.0
119.03542	1.4
119.05061	1.0
130.08774	1.4
147.11819	6.2
159.06670	1.5
161.04617	3.5
168.54620	0.7
179.05597	1.3
195.87389	0.8
209.11877	1.3
211.13367	3.6
241.14508	1.5
249.09750	1.0
266.93973	0.8
279.23401	0.7
314.29007	0.8
439.27524	3.1
451.33832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82286	0.4
59.01071	0.7
59.01380	24.0
61.98830	100.0
68.69438	0.6
71.01388	2.7
71.52435	0.9
73.02953	1.3
83.01382	0.6
85.02978	1.4
86.30357	0.5
101.02446	2.7
102.05614	1.7
113.02441	0.7
115.92128	0.5
116.28237	0.5
116.92860	1.6
120.99679	1.2
128.03571	2.0
136.07700	0.6
151.12497	0.5
153.52274	0.5
161.04514	0.6
193.04567	0.5
262.11752	0.5
291.18219	2.3
371.13123	2.6
408.97156	0.6
440.26431	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	440.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53636	0.5
55.01867	0.5
57.03444	1.6
58.00589	1.5
59.01380	12.6
61.98831	8.4
69.03459	1.0
71.01379	4.8
71.52679	0.8
72.31617	0.4
72.99333	0.7
73.02945	4.3
79.25784	0.5
83.05038	1.1
85.02951	3.7
87.04514	13.3
88.04845	0.6
93.03455	0.5
95.01382	0.7
96.04558	1.7
97.02980	2.2
99.00885	0.9
99.04527	0.9
99.92560	0.6
101.02444	6.0
103.29741	0.4
109.06615	0.7
111.04559	0.7
111.08102	0.7
113.02464	1.6
115.03985	0.4
115.92094	0.5
116.92853	1.0
125.02443	1.0
125.06031	0.6
127.07664	0.7
135.08171	3.5
137.09724	20.1
138.10107	0.6
139.07642	1.1
151.11278	1.4
155.10779	100.0
156.11102	3.6
161.04565	0.8
163.11348	1.0
165.09222	0.6
167.10764	1.3
169.12328	4.2
177.09190	0.6
179.10783	2.4
179.99034	0.5
181.08716	6.2
185.11795	0.9
191.10791	1.8
195.10258	1.9
196.66292	0.4
199.09756	85.9
200.10124	3.7
213.11333	3.4
213.39722	0.5
223.09909	0.5
225.11488	0.6
237.11429	0.7
241.10803	20.2
242.11163	1.2
253.10863	1.8
255.12323	1.8
271.11880	2.2
281.64322	0.4
283.11899	8.3
284.12213	0.8
301.12924	13.5
302.13141	1.0
343.13995	2.7
361.15012	6.2
399.63727	0.5
440.19250	48.4
441.19775	4.9
449.59528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.8
70.34111	2.0
70.34509	1.7
71.01373	1.9
84.93850	1.0
96.96007	2.9
98.95566	3.8
99.92584	47.1
100.92653	2.4
100.93350	17.6
111.00954	1.0
115.92076	100.0
116.92085	4.4
116.92859	28.0
117.03470	6.9
117.92895	1.7
119.05027	36.3
120.05344	2.1
121.02930	1.5
121.47834	0.9
126.94882	1.0
132.02150	2.0
133.06581	1.0
134.03734	8.8
141.93643	1.4
142.94443	7.7
145.02945	11.2
148.01563	1.1
149.02454	1.1
156.95946	2.4
161.06151	1.2
163.04005	36.7
164.04315	1.6
170.93871	1.8
184.95471	10.7
196.95482	3.5
200.96477	2.2
202.98074	2.0
214.96552	14.2
215.95107	2.9
216.95862	1.8
217.96745	2.0
218.97527	6.0
222.20834	1.0
230.97539	1.1
232.95444	4.2
234.97060	13.0
235.06013	2.7
246.97034	22.8
247.97220	2.4
250.96475	3.7
260.94897	1.0
260.98331	1.1
261.95499	1.0
262.96478	1.1
272.98462	2.9
274.96494	11.0
278.96002	16.0
279.96060	1.0
287.97284	1.2
295.08221	1.0
302.99667	21.4
303.99826	2.1
304.97653	1.3
320.97025	1.1
330.99112	4.0
342.99200	1.1
361.00192	26.6
362.00418	3.2
440.24780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17770	0.7
59.01377	1.8
61.98823	3.2
66.90182	0.7
71.01390	2.3
71.51595	1.2
84.93897	0.8
85.02952	0.8
89.02409	1.0
92.13776	0.9
95.94943	0.7
96.96010	2.9
98.95593	4.1
99.92586	28.9
100.92659	1.7
100.93347	11.6
101.02458	1.1
110.63242	0.9
112.04038	0.9
115.92078	100.0
116.92078	4.6
116.92853	22.2
117.03457	10.0
117.93668	0.9
119.05035	19.8
126.94919	1.3
132.92299	0.8
134.03751	3.0
141.93649	1.0
142.94417	9.4
145.02956	24.4
146.03299	1.1
151.13391	0.8
161.06120	1.5
163.04001	16.3
164.04247	0.8
166.05058	2.2
184.95483	12.3
187.03983	3.6
191.07133	1.0
196.95428	2.9
202.98039	1.5
214.96548	19.2
215.96657	1.3
216.95946	1.1
217.96791	1.9
232.95511	3.1
234.97044	11.7
235.06073	1.6
235.97292	1.0
246.97025	36.4
247.97127	3.7
250.96490	1.0
260.94812	2.4
261.95728	3.2
272.98480	1.1
278.96030	13.4
279.96167	1.1
287.97394	2.5
295.08231	3.3
302.99750	6.6
303.99908	0.8
316.97476	1.5
330.99072	2.4
344.97037	3.3
361.00198	25.3
362.00281	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	441.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49665	0.7
59.01377	2.2
61.98827	2.7
65.94264	0.8
69.54068	5.0
71.01379	2.8
72.99343	0.9
77.99513	0.8
80.97875	0.7
85.02949	1.7
88.98817	1.2
89.02451	1.4
96.96017	4.8
98.95586	5.9
99.00871	1.0
99.92585	31.9
100.92594	2.5
100.93371	12.3
105.08086	0.8
115.01171	0.8
115.92076	100.0
116.92084	5.1
116.92859	17.7
117.03458	9.9
117.91872	1.3
117.93615	0.9
119.05027	24.6
120.05331	1.1
121.02955	1.3
126.94925	1.3
132.02187	1.4
133.06612	1.0
134.03712	3.2
141.93678	1.8
142.94424	2.2
145.02951	23.0
145.06630	1.1
146.03294	1.9
159.04488	0.8
161.06062	1.6
163.03998	18.0
163.05273	1.5
164.04257	1.0
166.05110	5.0
166.94339	0.8
169.93216	0.9
177.39500	1.0
184.95480	11.4
184.97043	1.4
187.03999	2.9
196.95467	9.7
197.92561	0.8
197.95534	0.8
214.96533	20.3
215.95045	1.1
218.97430	1.2
232.95586	2.7
234.97037	8.8
246.97026	22.4
247.97287	1.3
250.96451	0.8
261.95651	2.5
262.96341	1.0
272.98532	0.9
274.96500	2.4
278.96063	9.0
279.96201	1.2
287.97284	2.1
295.07895	1.2
302.99683	2.3
314.71945	0.9
316.97485	2.2
330.99200	1.2
342.98895	1.3
344.97125	15.5
345.97195	1.9
361.00174	10.5
362.00436	1.4
389.17496	0.9
410.99969	1.2
437.12161	0.9
441.01062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	63.6
61.98836	4.1
68.99573	6.8
70.98495	0.6
71.01379	5.4
71.51987	0.8
71.52341	0.8
73.02955	1.5
75.00866	0.8
83.05024	0.7
85.02977	1.7
88.98804	0.9
89.02431	0.8
96.45676	0.7
97.02959	1.8
97.39049	0.8
99.04517	5.2
101.02436	2.1
103.00371	100.0
104.00723	1.1
107.05009	0.7
110.00243	0.7
112.98569	7.2
113.02454	2.1
116.92822	1.5
131.03496	0.9
135.08188	0.9
182.74568	0.7
203.14420	6.8
209.11839	3.1
212.92351	0.7
217.71342	0.7
221.15446	10.3
237.98988	0.8
250.43031	0.7
263.16400	1.3
265.14429	19.4
265.39944	0.8
266.14792	1.2
302.72601	0.7
304.05765	0.8
307.15439	5.7
366.48764	0.7
381.14490	0.7
381.19162	1.5
441.17502	8.5
441.28311	2.7
442.17230	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	441.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.7
57.03442	0.8
58.00575	1.2
59.01379	55.3
60.01733	1.0
61.98814	1.4
67.92421	0.8
69.18504	7.5
71.01382	29.6
72.99301	2.1
73.02950	16.0
83.01382	9.1
85.02954	14.9
87.00889	1.4
89.02442	4.3
90.98354	0.8
92.68139	0.9
95.01369	2.1
97.02938	1.0
99.00880	5.5
99.92584	10.6
100.92645	0.8
100.93336	4.1
101.02441	34.2
102.02713	0.9
103.04000	0.9
113.02452	13.6
115.92074	29.0
116.92103	2.0
116.92849	14.1
117.03429	1.3
119.03467	1.4
119.05023	4.8
125.02417	2.3
129.01938	0.9
133.02960	1.7
134.03714	1.1
142.94415	3.1
143.03535	2.1
145.02954	3.5
146.52890	0.8
159.02951	2.2
161.04535	13.1
163.03972	5.4
166.05092	6.1
177.01859	0.8
184.95474	1.9
196.95364	1.2
214.96509	3.7
232.95789	1.0
234.97040	2.5
235.11858	65.2
236.12178	3.7
246.97017	8.5
248.44229	0.9
278.96021	3.0
295.08282	1.4
302.99536	1.4
309.74057	0.9
346.50089	0.8
357.67548	0.8
361.00269	5.5
381.17633	100.0
382.18021	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	441.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.3
57.03448	2.2
58.11495	1.2
59.01381	21.5
61.98832	16.8
65.09834	1.2
71.01379	25.9
71.50897	1.7
72.32868	1.0
72.99294	1.0
73.02938	13.1
75.00904	1.3
83.01376	6.2
83.07813	1.1
85.02953	14.3
87.00899	2.4
89.02435	6.5
97.02922	1.5
99.00876	7.2
101.02442	33.2
111.00867	1.7
113.02457	9.5
119.05053	1.2
125.02499	2.2
131.03496	1.3
131.08279	2.5
141.01921	1.0
142.09552	1.1
143.03470	1.9
157.08720	1.1
159.02991	2.6
161.04547	9.1
163.03955	1.1
173.10454	1.1
209.04515	1.2
249.13431	34.1
250.13669	1.9
314.12189	1.0
340.76724	1.0
355.35837	1.0
359.36023	1.1
379.19720	1.2
381.17627	100.0
382.18005	6.8
397.20178	1.2
406.35861	1.4
441.28293	3.4
442.26434	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	441.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15465	1.1
55.01874	3.1
57.03447	1.5
59.01377	59.4
66.19767	1.3
70.33542	2.4
70.33913	2.8
71.01008	2.5
71.01382	32.1
71.01779	1.6
72.33359	1.4
72.99295	1.3
73.02946	13.5
78.96471	1.1
83.01392	8.9
85.02951	18.3
87.00868	1.6
89.02431	4.6
94.03048	1.4
95.01365	2.7
99.00888	4.7
99.92567	11.5
100.93362	2.9
101.02442	33.5
111.00899	2.1
113.02447	12.9
115.46216	1.2
115.92078	31.8
116.92117	2.1
116.92854	11.9
117.92937	1.2
119.03485	1.6
119.05030	8.4
125.02414	1.6
130.35484	1.5
133.02922	2.5
134.03644	1.3
134.28210	1.1
135.18085	1.1
142.94429	3.0
145.02936	4.1
159.02997	2.9
161.04558	11.9
163.03990	5.2
166.05104	9.5
177.01886	1.7
184.95430	3.7
196.95470	1.7
214.96474	3.4
234.96956	4.4
235.11844	65.5
236.12202	3.3
246.97070	10.9
278.95911	3.9
361.00122	4.3
381.17651	100.0
382.18015	10.8
441.97626	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01876	0.9
57.03447	0.6
58.00597	0.5
59.01378	100.0
60.01719	0.9
61.98833	1.1
69.03460	0.3
69.56158	1.1
69.56581	0.3
71.01381	18.5
72.99310	0.5
73.02943	6.8
75.00877	0.4
83.01395	2.4
85.02952	6.7
86.00116	0.5
87.00891	1.3
87.04538	0.7
89.02440	6.8
91.58324	0.3
95.01378	1.1
97.02962	0.5
99.00873	1.6
99.92575	2.2
101.02444	11.7
101.06056	0.3
111.00905	0.5
113.02450	6.8
115.68658	0.3
115.92089	1.8
116.92852	3.2
117.93008	0.3
119.03500	2.9
125.02476	0.9
129.01961	0.3
131.03511	0.3
143.03510	1.1
149.04559	0.4
149.13391	0.8
159.03056	1.0
159.06616	2.7
161.04561	6.6
163.64066	0.3
179.05624	1.7
197.33064	0.2
249.09753	2.6
381.22733	2.2
382.23233	0.3
399.23828	5.2
399.28741	0.3
400.24219	0.4
423.15039	0.5
441.16003	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94747	2.5
57.19480	2.6
59.01386	29.7
59.90487	2.3
60.62752	2.4
61.98833	17.2
63.99302	2.6
71.01387	25.3
71.06100	5.4
73.02960	6.9
75.00871	5.6
77.90874	2.4
81.19984	2.6
82.95419	5.6
85.02935	6.0
87.00851	3.7
89.02459	13.5
95.01447	2.8
96.96010	2.9
99.00866	3.7
99.92561	15.6
100.92616	10.8
100.93329	3.6
101.02439	16.8
103.00397	3.5
111.00940	3.1
113.02455	5.0
114.05632	2.7
115.92078	37.6
116.92088	24.8
116.92870	100.0
117.92036	5.4
117.92865	27.7
119.03497	4.8
119.05031	15.5
120.05535	2.5
128.03537	9.5
129.01945	5.8
133.05057	31.7
134.03751	5.7
145.03001	3.7
148.04071	3.5
163.04001	12.9
163.06097	5.9
193.05048	3.3
195.05103	26.1
196.95445	4.8
197.95639	8.1
199.10854	3.1
205.07106	3.3
224.34720	2.6
233.97679	6.0
247.97112	3.6
297.98291	2.4
351.44559	2.7
362.00073	3.6
398.09818	3.2
415.13333	2.9
442.14850	75.5
443.14166	3.5
443.19360	49.8
449.83194	3.1
457.16431	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49416	0.3
55.01902	0.3
59.01378	2.6
61.98821	1.7
71.01398	1.8
71.06149	0.6
73.02940	0.5
75.00882	1.3
83.01398	0.5
89.02457	0.6
93.03432	0.4
96.96013	4.2
99.00889	1.2
99.92571	0.7
101.02416	0.7
103.00360	0.5
113.92596	0.4
114.93420	1.0
115.92071	1.2
116.92120	0.7
116.92862	2.1
117.02014	0.4
117.03510	0.4
117.91917	0.7
117.92913	0.5
119.05028	97.7
120.05357	3.1
125.02415	1.5
125.06095	0.3
134.03743	2.7
135.02979	2.4
135.04509	0.3
137.02461	0.6
145.02930	0.6
149.06067	0.9
151.00369	1.2
152.27174	0.3
163.04007	100.0
164.04340	3.8
167.03433	0.3
169.01402	0.7
178.02675	2.2
193.03360	0.5
193.05057	7.3
248.97060	0.5
281.06659	1.5
304.13702	0.4
325.09271	8.0
326.09488	0.5
327.08658	0.3
331.06729	4.3
355.10336	0.9
357.19037	0.4
362.99902	0.4
414.46970	0.4
443.11926	15.1
443.18326	0.7
444.12448	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	443.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
58.00575	0.5
59.01379	35.4
59.19841	0.3
60.01720	0.4
71.01383	2.5
71.05020	0.4
71.52367	0.4
72.99323	0.4
75.00877	0.8
83.05021	0.6
85.02943	0.7
87.00877	1.5
89.02448	1.2
103.00372	100.0
104.00707	1.1
107.05016	0.9
107.67673	0.3
110.11509	0.3
113.02435	1.2
117.98408	0.4
120.05824	0.6
122.58556	0.3
135.04607	0.6
137.09726	0.6
159.11769	0.3
161.09724	2.5
161.13371	1.9
163.11295	0.7
175.02438	1.2
187.11310	4.0
189.09175	1.3
193.03566	0.6
203.10776	1.1
205.12305	1.7
207.10339	0.5
223.13376	15.7
224.13707	1.0
229.12329	0.9
239.12886	2.7
244.55830	0.4
249.11288	2.0
267.12369	9.7
268.12640	0.4
275.18988	0.3
281.13834	1.1
309.13385	0.9
339.14435	1.7
399.16614	1.2
443.15533	18.9
444.15942	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	443.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39209	0.4
57.03440	1.3
58.00575	0.5
59.01379	18.4
61.98822	0.9
69.37129	3.0
70.87775	0.5
71.01389	6.6
72.99326	0.5
73.02945	7.0
75.00873	2.1
83.01376	2.3
85.02953	1.2
85.82115	0.4
87.00904	0.5
89.02449	1.0
93.03486	2.2
99.00883	0.7
99.04514	0.7
101.02426	2.5
103.00372	100.0
104.00733	0.9
106.95770	0.4
113.02458	1.3
119.05022	3.4
121.06605	2.4
128.80373	0.4
129.01846	0.6
137.09718	0.9
163.03999	1.4
163.11246	1.1
165.05563	20.3
166.05919	0.5
175.02483	0.4
179.07132	4.0
189.05585	3.5
199.41621	0.4
203.10777	1.1
207.06622	3.3
208.38260	0.5
219.06630	1.1
221.08148	0.8
267.12357	6.2
295.53494	0.4
299.11276	0.7
309.13330	1.2
365.16092	0.6
383.17093	1.7
443.15509	17.8
444.15823	1.7
454.21600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76573	0.5
52.66285	0.6
57.03441	1.5
59.01379	18.9
63.70058	0.5
69.26908	3.5
71.01386	7.5
73.02946	6.8
75.00871	1.5
83.01386	1.8
85.02947	1.5
86.61880	0.5
89.02435	1.7
89.63625	0.5
92.80003	0.4
93.03465	2.0
98.19012	0.5
98.19907	0.6
99.00900	0.8
99.04525	1.2
101.02456	2.7
103.00373	100.0
104.00697	2.0
113.02470	1.2
119.05005	1.9
121.06591	1.9
122.92141	0.5
130.08760	0.6
137.09848	0.7
143.11827	0.4
151.07619	0.4
163.04007	1.4
163.11304	1.0
165.04172	1.1
165.05565	20.9
166.05894	0.9
175.02527	1.2
177.04065	1.0
179.07141	3.9
189.05591	4.0
203.10753	1.3
207.06587	3.5
219.06480	0.9
267.12390	8.1
268.12677	0.7
281.09097	0.6
288.50638	0.6
299.11389	0.6
309.13351	1.8
312.84207	0.5
360.56906	0.6
383.16959	2.2
417.60867	0.5
443.15549	20.6
444.15875	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.1
58.00590	1.1
58.19754	0.7
59.01382	64.9
61.98847	0.9
69.17818	0.8
71.01391	4.7
72.99306	0.9
73.02941	1.1
75.00859	1.6
75.15736	0.8
81.32883	0.6
83.01380	1.0
83.05024	1.1
85.02947	2.7
87.00877	3.3
89.02477	1.9
93.03481	0.9
98.20678	1.9
101.02437	1.9
103.00376	100.0
104.00708	1.2
107.05031	0.9
113.02435	4.9
116.70641	0.8
120.05836	1.0
129.10280	0.8
129.30226	1.0
135.04576	0.9
151.25992	0.9
161.09775	3.8
161.13298	2.6
175.02541	0.8
179.10756	0.9
187.11328	6.4
188.11626	0.8
189.09192	2.5
203.10699	1.8
205.12349	2.7
221.08121	3.2
223.13388	32.1
224.13669	2.0
229.12366	2.1
249.11270	3.4
267.12363	51.9
268.12744	3.9
291.12372	1.4
309.13419	3.4
324.05225	0.9
339.14502	7.1
399.16550	4.6
443.15353	16.5
444.16074	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	443.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67926	0.8
55.49419	0.8
57.03433	2.7
59.01377	69.7
61.98838	0.9
69.57766	0.8
70.56763	0.9
71.01376	5.8
71.05041	1.6
72.43144	0.8
75.00865	1.7
78.56319	0.9
85.02935	2.3
87.00877	5.3
89.02454	1.6
97.06610	0.8
101.02408	1.5
103.00370	100.0
107.05020	1.4
113.02435	7.1
120.05813	1.2
135.04501	1.3
159.11716	1.0
161.09689	6.9
161.13356	4.9
163.11362	1.2
173.70882	0.9
187.11266	8.7
189.09178	2.7
203.10736	2.4
205.12312	3.8
218.37053	1.0
219.67889	1.0
223.11113	1.2
223.13377	45.0
224.13750	3.6
229.12285	2.8
249.11238	5.7
267.12357	53.6
268.12650	3.3
269.50992	1.0
271.98563	0.9
291.12253	2.4
309.13379	5.2
339.14499	14.6
340.14728	1.7
399.16644	8.2
443.15579	27.7
444.15863	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	443.192
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01866	2.4
57.03440	1.3
58.00582	1.7
59.01380	37.6
66.61932	0.5
69.99922	2.1
71.01385	24.8
72.66369	0.5
72.99316	1.3
73.02950	3.5
75.58210	0.5
83.00941	0.5
83.01379	3.7
83.05022	0.7
85.02952	8.9
87.00883	0.7
89.02447	15.9
95.01378	2.3
99.00860	1.8
101.02441	18.4
111.04520	1.3
113.01720	1.0
113.02450	9.4
116.92870	0.6
117.80856	0.5
119.03514	5.3
119.05000	1.2
123.08145	0.8
161.04524	1.0
163.03989	0.9
179.05693	0.5
189.12852	1.3
231.29866	0.6
237.14914	0.6
249.04565	0.6
443.19196	100.0
444.19522	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	443.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.9
58.00590	2.8
59.01379	100.0
61.68520	1.4
61.98830	89.1
71.01382	68.4
71.52094	1.5
71.65498	1.5
72.00945	1.3
72.99301	5.4
73.02939	5.2
74.02473	4.4
75.77821	1.4
79.66746	1.5
83.01389	3.0
85.02943	10.0
87.00861	6.1
89.02444	91.0
93.03458	4.1
95.01401	4.0
99.00874	1.7
101.01804	2.2
101.02436	28.9
103.00359	4.3
109.01694	6.7
113.02446	30.2
115.08821	3.3
116.07144	2.0
116.92875	1.7
117.03482	10.4
119.03500	37.4
119.04971	3.7
125.02479	2.1
127.05099	2.1
128.03516	8.2
129.10320	2.7
130.08733	3.1
131.03503	3.4
135.04527	5.0
137.09706	7.4
138.05650	1.9
143.03448	7.3
143.11815	1.8
147.04573	1.6
149.04610	2.7
159.04469	1.8
161.02484	2.5
161.04532	11.6
161.09747	2.1
163.04013	3.5
175.03947	2.1
177.05510	2.4
179.05606	52.6
191.03513	3.6
195.39325	1.9
203.03641	1.7
203.10767	13.0
208.69266	1.5
210.07690	6.9
214.15639	5.7
215.03683	1.6
221.06650	2.4
221.11816	3.2
251.07230	2.0
282.05383	3.7
295.06036	7.1
296.06934	3.5
297.07675	29.6
298.07938	2.0
307.06207	2.7
309.07727	3.2
311.05524	2.5
323.05661	3.9
325.07318	14.0
327.08701	2.4
328.05917	3.1
337.07053	2.9
353.06650	50.6
354.07022	3.5
356.05402	2.0
365.06650	6.7
383.07736	29.8
383.17255	6.0
384.07938	2.2
395.07651	2.1
399.26166	4.0
401.18356	3.0
425.09064	2.7
425.24048	6.7
443.09848	72.7
443.19412	10.5
443.24567	4.0
443.29614	3.1
444.10071	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	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27507	1.0
59.01379	100.0
61.98816	4.5
65.35469	1.0
71.51557	1.1
71.51998	1.0
83.95006	1.0
91.03979	4.9
99.92567	3.3
111.08144	2.1
115.92052	3.8
116.92851	6.4
136.21877	1.2
153.63527	1.0
177.01866	2.0
197.11800	7.3
199.13329	1.2
204.85039	1.1
262.96381	1.0
275.55157	1.1
291.19623	4.4
309.20776	11.1
425.16272	1.2
425.22781	1.2
443.17886	2.0
443.23221	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46622	0.8
59.01379	100.0
60.01716	1.3
61.98829	1.9
65.55120	0.8
69.44154	2.6
69.44564	2.8
72.02294	0.9
96.41209	0.8
111.33931	0.8
116.32054	0.9
116.92845	1.2
117.12950	0.8
291.19617	2.7
309.20779	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	444.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.8
61.98831	100.0
69.45288	0.9
69.45685	0.4
71.01363	1.1
76.24860	0.2
81.36722	0.2
85.02934	0.3
87.00906	0.3
89.02458	0.9
101.02467	0.6
113.02481	0.6
119.03559	0.4
130.08789	0.3
147.76135	0.2
161.04657	0.3
179.03479	0.2
179.05531	0.3
205.12349	1.3
205.81186	0.2
208.28294	0.2
211.07866	0.2
227.48962	0.2
284.03177	0.2
329.26981	0.2
444.10345	0.5
444.25043	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63870	0.2
57.03443	0.4
58.66133	0.3
59.01380	7.2
61.39537	0.2
61.98830	100.0
69.45161	0.9
69.45580	0.9
70.99599	1.6
71.01386	2.3
73.02931	0.4
74.02468	0.3
77.94465	0.2
83.05003	0.3
85.02982	0.4
89.02441	3.3
96.00916	0.3
98.02464	0.4
101.02471	1.3
103.15982	0.2
106.52573	0.3
108.02177	1.5
109.01698	0.3
113.02434	0.7
113.03594	0.3
114.01908	0.3
119.03493	1.2
120.99655	0.7
121.03012	0.5
121.24783	0.3
123.04524	5.6
127.05032	0.3
130.08746	0.4
137.06091	0.8
137.09636	0.2
138.05623	0.8
146.03720	2.5
161.04706	0.4
161.06053	2.9
163.04053	0.8
179.01776	0.5
179.05658	1.5
180.02472	0.3
181.05162	0.5
195.04849	8.8
214.15631	0.4
283.06552	0.7
296.06393	0.4
297.07794	0.5
298.07986	1.6
324.06216	0.3
326.07489	0.6
353.06589	0.7
354.06952	3.5
355.07755	0.3
357.10300	1.1
379.94760	0.3
384.08304	0.9
410.19290	0.5
426.24625	0.4
444.10156	6.1
444.20035	0.6
444.25507	0.5
445.11691	2.9
445.17380	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	444.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33057	0.8
59.01372	1.1
61.98831	100.0
64.86991	1.0
70.06875	2.8
70.07288	1.5
78.20895	0.9
112.93571	1.0
204.78763	0.8
228.21086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57797	0.7
58.41428	0.7
59.01373	1.2
61.98830	100.0
69.19207	2.9
69.19635	3.6
74.94315	0.7
78.95918	0.9
98.19855	1.3
98.92809	0.7
100.71307	0.8
104.36993	0.7
125.06138	0.6
133.90878	0.8
211.82434	0.8
238.22430	0.7
268.56284	0.8
277.21671	9.8
284.71274	0.7
338.74438	0.7
451.45480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.0
59.49505	0.3
61.98830	9.5
67.01876	1.5
69.72564	1.5
71.01388	1.2
73.02946	0.5
75.00874	0.4
76.98849	0.3
80.68597	0.3
82.02981	1.1
86.27579	0.3
87.00879	0.6
88.04069	0.7
88.98795	0.5
89.02444	0.4
93.03458	0.4
93.76224	0.4
94.02981	25.6
95.03355	0.4
96.96012	1.6
99.92555	0.5
101.02456	0.4
101.77115	0.3
109.44884	0.3
114.58348	0.4
115.00356	0.4
115.05147	0.5
115.92146	0.4
116.92864	1.0
119.04966	0.3
128.03539	100.0
129.03882	1.5
131.05005	0.8
149.06082	1.3
151.08609	0.4
168.11403	0.8
263.49051	0.3
267.14822	1.0
272.07773	1.4
285.15662	0.6
289.26303	0.3
330.48184	0.4
355.11523	1.4
401.16339	0.4
445.13260	0.6
445.19229	1.4
464.11130	0.3
464.18781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22227	0.5
55.42591	0.5
59.01379	51.6
61.98829	2.7
65.20479	0.6
69.55453	2.5
71.01373	6.4
72.99281	0.6
73.02946	3.4
74.02452	1.0
76.43671	0.5
78.93882	0.5
82.02963	0.6
83.01390	0.9
85.02946	2.4
87.00867	0.6
89.02451	5.0
94.02977	0.6
96.96002	2.5
98.02472	0.6
99.00842	0.9
99.92587	7.2
100.93348	0.6
101.02447	5.0
103.00399	0.8
103.04013	0.8
103.05547	1.3
110.69424	0.6
113.02449	2.1
114.93427	1.1
115.08783	1.3
115.92066	9.9
115.92822	0.8
116.92860	46.6
119.03517	1.8
119.05007	2.9
121.02937	1.3
125.02490	0.8
125.54269	0.5
128.03539	2.2
130.04248	12.2
130.08737	0.9
131.05031	51.7
132.05360	1.7
142.94411	1.0
143.03500	1.5
144.74371	0.6
149.06078	100.0
150.06435	3.4
161.04559	2.4
163.04054	1.0
163.06131	2.1
178.08775	0.6
179.05649	0.6
184.91833	0.7
205.07208	1.4
267.09738	1.0
283.02127	0.6
342.02731	1.3
358.10245	0.6
360.04150	1.2
383.19705	0.7
384.04156	0.7
385.15097	2.3
402.05185	1.9
403.19922	1.1
410.01947	1.0
416.28430	0.6
445.17194	6.9
445.22589	1.6
446.03876	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	45.8
61.98834	4.5
63.70815	0.5
70.10157	1.8
70.10538	1.0
71.01373	6.3
72.91008	0.6
72.99297	0.6
73.02924	2.9
74.02483	1.0
85.02952	2.2
87.00884	1.3
89.02445	4.7
90.29258	0.6
95.66039	0.6
96.00941	1.2
96.96014	4.3
96.96980	0.6
99.92583	3.2
100.93351	0.7
101.02438	4.9
103.00380	0.8
103.04028	0.9
103.05529	1.1
113.02444	2.0
113.03542	0.7
114.93471	0.6
115.04007	1.0
115.08757	0.8
115.92094	4.6
116.92860	25.2
119.03550	1.2
119.05029	3.5
121.02929	2.3
125.02464	1.5
128.03545	2.7
130.04254	11.0
130.08795	0.7
131.05029	55.2
132.05365	2.0
143.03513	1.5
149.06078	100.0
150.06453	3.5
155.08417	0.7
161.04536	2.2
163.03958	1.0
163.06096	2.6
173.09380	0.6
178.08813	0.6
179.05621	0.7
205.07150	2.3
215.82831	0.5
269.77338	0.7
342.02972	0.6
360.04144	0.9
366.16550	1.0
385.15158	2.5
402.05392	0.9
403.19534	1.0
410.19492	1.1
427.22092	1.7
436.27362	0.7
445.17157	6.8
445.22894	1.7
446.03986	3.0
446.17026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.6
57.31794	0.7
58.00571	0.9
59.01379	100.0
59.98224	0.6
60.01722	0.9
61.98829	1.8
69.03461	1.1
71.01382	18.7
71.14665	1.5
72.99310	2.6
73.02954	4.8
74.03306	0.7
75.00874	13.5
78.14355	0.7
83.01389	1.2
83.05029	0.9
85.02939	4.8
87.00876	4.3
89.02459	6.9
97.02994	0.9
99.00889	7.5
101.02433	4.5
103.00374	41.8
104.38084	0.7
113.02462	3.5
119.03494	2.4
120.99670	1.2
129.01938	12.4
130.08730	1.4
131.03517	1.7
133.02992	1.5
135.04497	1.8
137.09711	1.2
141.01906	0.9
143.03473	0.9
149.06068	0.8
159.03006	1.9
161.04538	1.9
161.09691	1.1
161.13388	0.7
165.12856	1.9
177.01932	0.8
177.02405	0.9
177.04034	9.6
179.05621	1.7
187.11235	2.0
193.03497	1.1
195.05110	15.3
205.12314	3.8
207.13937	4.9
209.11826	3.5
211.07642	2.4
217.12253	0.8
223.13412	11.7
224.13776	0.8
225.14958	1.1
251.12878	2.0
252.04414	1.3
255.03032	0.9
267.12442	7.1
269.13943	24.4
270.14294	1.4
271.02420	2.5
283.15399	1.7
299.01944	1.8
300.02713	0.9
301.03537	1.4
311.15057	4.3
329.23291	0.7
341.15796	1.8
385.18848	8.6
401.18121	1.6
407.15787	0.7
427.15756	2.6
445.16928	42.9
446.12430	1.4
446.17493	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	445.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97672	0.6
57.03442	2.3
57.31195	0.5
59.01376	37.9
61.98816	2.4
62.65107	0.6
71.00175	1.0
71.00516	1.1
71.01372	5.1
73.02944	10.4
74.02450	0.6
75.00859	1.9
77.31854	0.6
83.01386	2.7
83.05051	0.7
84.52187	0.6
85.02957	1.9
87.00869	0.8
87.04482	0.9
89.02434	1.1
99.00880	0.7
99.04509	1.1
99.92616	0.7
101.02441	7.4
103.00371	100.0
104.00719	2.3
113.02451	3.9
116.92839	1.4
120.99614	0.7
121.06552	0.6
128.30516	0.6
137.09735	1.0
149.06053	0.9
155.10826	1.1
165.12856	7.4
175.02397	1.3
175.26761	0.7
189.12856	1.6
195.05113	1.5
199.09802	1.5
207.13863	6.8
209.09950	0.9
209.11827	10.9
210.12215	0.7
225.14940	2.2
231.13846	1.7
241.10777	0.7
251.12909	3.9
260.93777	0.6
269.13919	68.6
270.14249	4.9
275.12787	1.4
283.11880	2.9
283.15503	10.9
293.14093	0.6
293.17520	0.8
311.15176	4.6
325.16464	1.4
341.15872	3.8
342.16443	0.7
346.23956	0.7
385.14789	0.7
401.18210	1.7
402.46451	0.7
445.16693	15.1
446.17276	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.4
59.01379	69.9
61.98838	2.7
62.58183	1.6
67.72250	1.8
69.24724	15.8
71.01382	15.0
71.80664	1.6
72.99306	1.7
75.00867	20.5
85.02919	4.7
87.00850	7.0
89.02442	3.3
93.47149	1.6
99.00867	6.2
100.17966	1.8
103.00373	100.0
104.00696	2.5
105.00771	1.8
106.92385	1.9
106.94616	1.7
109.06564	2.0
113.02418	6.7
129.01956	13.3
141.01942	1.6
159.02968	1.8
165.12804	3.1
177.03993	7.0
184.57555	1.6
189.12869	1.9
195.05086	23.0
205.12206	2.2
207.13876	19.9
209.11832	9.1
223.13306	5.3
225.14926	3.0
250.27588	1.9
251.12724	6.2
267.12234	5.1
269.13922	82.8
270.14166	2.7
274.99234	1.9
293.13733	2.6
311.14810	4.9
341.15936	9.0
401.17892	6.5
427.15796	3.5
445.16891	64.1
446.17133	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	445.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01706	0.9
61.98824	6.7
69.78843	0.6
72.54140	0.6
75.19417	0.7
81.79549	0.6
85.52710	0.7
96.96049	1.1
98.19869	1.6
99.92589	8.5
115.92050	5.4
116.92857	12.9
118.89975	1.7
118.92687	0.7
142.19843	0.7
154.11880	0.7
173.67839	0.7
187.43076	0.6
243.56149	0.7
284.27966	0.7
348.49030	0.7
373.11154	1.5
391.12195	1.4
409.13388	1.5
445.11243	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53069	0.6
55.72783	0.6
59.01380	100.0
60.01735	0.8
61.98833	5.8
69.44189	4.1
70.26935	0.7
71.01379	1.1
78.85184	0.6
78.95904	4.3
79.51653	0.7
84.98229	0.7
99.53993	0.6
99.92603	0.8
115.92097	0.7
116.92890	2.5
122.93627	0.6
144.67493	0.6
149.00102	6.9
163.52104	0.7
205.15993	5.2
247.94142	0.6
257.18076	0.6
287.34097	0.7
323.86191	0.8
355.16782	26.2
356.17377	2.8
385.17834	13.4
386.18390	1.6
419.78806	0.8
445.19687	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	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03437	2.4
57.08558	0.7
59.01380	51.7
61.98835	9.6
69.43488	4.4
69.43905	1.4
69.86668	0.7
71.01382	14.9
73.02935	3.5
76.79074	0.8
83.01386	2.1
83.05050	0.7
85.02956	4.8
85.89949	0.6
87.00879	1.2
89.02451	5.7
95.01386	0.9
95.47890	0.7
97.02943	0.7
98.19939	1.3
99.00883	1.6
101.02444	7.3
103.00380	2.0
107.05050	0.9
113.02451	6.4
116.44818	0.7
119.03497	2.4
121.06604	1.4
123.08173	0.9
125.06069	1.8
131.03503	3.1
143.03433	1.1
147.08147	2.8
149.09723	1.3
153.09265	1.5
159.02951	1.1
160.08989	1.5
161.04558	9.8
161.09744	1.9
163.11282	32.9
164.11557	1.1
165.09164	0.7
167.01068	0.7
175.11282	12.5
176.11546	0.8
177.12788	1.6
179.05554	1.7
187.11282	6.7
190.09938	1.0
204.11592	0.8
205.12323	100.0
206.12651	5.3
221.06660	11.3
223.13406	1.4
367.17789	1.0
385.18597	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.8
61.98823	1.6
63.09233	0.7
78.95905	5.9
87.76707	0.9
88.39894	0.6
90.77391	0.7
98.19867	1.5
110.98557	5.2
114.17529	0.7
127.06892	0.7
128.79433	0.6
167.01129	2.2
170.61110	0.7
185.02174	4.5
277.21707	100.0
278.22104	6.7
324.03262	0.8
359.62451	0.7
445.23529	8.8
446.23618	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19241	0.8
51.71917	0.9
59.01378	100.0
60.01715	1.2
61.98827	15.6
71.51140	1.3
71.51492	1.2
71.89497	0.9
87.00884	2.3
91.04008	6.5
96.95987	4.2
125.03721	1.2
211.13330	1.9
287.05652	1.4
293.21243	1.2
297.49762	1.2
311.22287	25.1
312.22522	1.4
319.00995	1.1
373.17703	1.0
445.15836	1.5
445.29410	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.25642	0.6
61.98829	3.9
69.47454	4.7
71.01389	0.9
77.37424	0.6
83.69000	0.8
91.04029	2.3
95.47725	0.6
96.86460	0.8
99.92583	4.0
115.92062	3.0
116.92864	7.0
118.90008	2.0
121.02969	0.9
127.78669	0.7
134.03745	0.6
158.41037	0.7
202.11852	0.6
203.10953	0.6
211.13420	1.7
229.20026	0.7
250.59502	0.6
311.22272	14.6
312.22833	0.8
391.12317	1.2
445.11093	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54671	0.5
59.01379	100.0
60.01702	0.8
61.98833	1.7
69.84811	0.5
70.42136	1.0
71.28996	0.5
89.02484	0.5
91.04027	2.9
117.67229	0.5
124.43655	0.5
154.75194	0.5
199.13539	0.6
211.13489	1.6
224.65410	0.5
293.21280	2.3
311.22275	17.1
312.22751	0.9
339.04453	0.5
344.45358	0.5
361.71017	0.5
407.56049	0.7
445.29327	0.7
465.50482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69606	0.4
59.01376	16.7
60.01709	0.8
61.98828	100.0
69.79930	1.9
115.02500	0.9
117.00402	0.8
117.02278	0.6
119.00176	0.4
121.28625	0.5
157.03497	0.4
159.01489	9.2
160.01662	5.7
161.01205	7.5
161.98933	21.7
162.01550	0.8
162.98993	1.5
179.45053	0.4
201.02536	2.9
202.02632	2.1
203.02289	2.2
203.99969	5.8
248.45409	0.4
260.01718	0.4
261.98935	0.6
301.02621	1.4
302.02777	6.9
303.02451	9.5
303.99973	52.6
304.02737	5.1
304.99982	6.9
356.87726	0.4
366.77374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.9
61.22612	0.3
61.98836	0.9
70.08866	0.6
70.09245	0.7
71.01381	2.7
73.02939	0.5
74.02455	0.4
83.01391	0.6
83.42210	0.3
85.02959	0.8
89.02438	2.2
94.02980	0.3
96.96001	0.8
99.00880	0.7
99.39948	0.3
99.92587	13.1
100.92699	0.7
100.93380	2.3
101.02421	1.9
103.00376	0.8
107.80671	0.3
113.02469	0.9
113.03624	0.3
115.92081	18.5
116.92860	100.0
117.92863	4.9
117.93659	0.4
119.03517	1.0
123.04537	0.8
139.50107	0.3
140.92827	0.5
142.94432	2.3
156.92383	0.4
158.93935	0.7
161.04527	0.5
173.08092	0.3
174.93307	0.4
179.05592	4.5
179.69025	0.3
184.91812	2.5
184.95453	0.4
225.14986	0.7
242.01247	0.3
242.96109	0.8
255.03065	0.7
283.02527	0.9
324.01779	0.8
342.02802	2.8
343.03531	0.4
360.03897	3.3
372.04047	0.7
384.03964	2.4
387.20477	2.0
394.44714	0.4
402.04971	4.6
403.05301	0.6
405.21271	11.8
410.01819	1.9
411.02036	0.4
445.24463	0.4
446.03925	14.8
447.04224	1.9
447.22382	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	446.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04447	0.3
59.01383	2.1
61.98831	100.0
69.76469	0.2
71.01385	0.9
71.51751	0.3
71.52116	0.2
72.00893	0.3
74.02481	0.4
78.91862	0.3
86.86111	0.3
87.05645	0.4
89.02417	0.6
91.10102	0.3
93.03519	0.7
96.95934	0.4
99.92603	2.6
100.00424	0.3
101.02466	0.9
111.04498	0.3
115.08836	0.3
115.92089	2.6
116.92864	16.5
117.92849	0.6
119.03535	0.3
125.02469	0.6
128.03592	0.6
129.06726	1.0
135.04523	0.3
137.02489	0.4
138.02774	0.4
140.49995	0.3
141.10368	0.4
144.07828	0.6
164.03854	0.4
168.07843	0.3
169.09547	0.2
169.13443	0.5
184.91872	0.8
186.08810	0.7
197.02814	0.7
226.15622	0.6
235.55069	0.3
254.15207	0.5
255.03056	1.2
283.02463	2.3
284.03134	0.4
285.04163	0.9
297.19269	0.4
339.20313	1.5
342.02847	0.3
360.04236	0.3
383.19476	0.8
432.16559	0.4
446.03650	1.7
446.09399	0.4
446.19855	0.4
447.19156	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	446.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.6
59.01380	90.8
60.01693	1.9
61.98823	2.9
66.04678	1.4
71.01385	8.3
71.52132	1.6
72.99307	30.0
72.99701	2.6
73.02954	6.0
74.84643	1.4
78.90710	1.5
85.02955	2.4
89.02443	3.8
99.00909	1.8
99.04504	2.8
100.00397	22.5
101.02456	4.3
103.00374	69.6
109.42376	1.4
113.02444	4.7
119.03497	2.4
120.01245	4.6
137.09779	2.0
139.11299	21.2
153.09259	2.1
155.10718	2.6
161.04512	2.4
181.12361	10.8
183.10257	23.9
199.13501	3.2
209.11758	2.5
210.12215	3.0
225.11256	8.8
225.14931	1.4
227.03436	6.0
238.64413	1.5
243.12363	100.0
243.16121	4.0
244.12791	4.9
255.02959	15.4
256.03375	2.0
278.18707	1.6
283.02585	9.5
284.03223	11.4
285.04031	26.6
285.13452	20.8
285.16595	3.1
286.04395	3.5
289.73083	1.6
294.26282	1.6
315.14471	10.8
325.20163	10.3
339.14594	3.3
344.10162	9.0
372.42563	1.7
375.16592	13.5
419.15530	29.5
420.16025	2.1
429.17551	1.8
447.09119	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	446.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.3
60.01710	0.2
61.98830	100.0
62.07154	0.2
62.98536	0.2
63.83955	0.2
69.32858	0.2
71.01386	1.9
72.01731	0.3
73.02949	0.7
81.87489	0.2
85.02962	0.4
87.00888	0.3
88.98822	0.8
89.02457	1.0
98.19795	0.5
101.02469	1.2
102.99828	0.2
103.00339	1.2
104.39065	0.2
113.02473	0.7
119.03519	0.4
121.06558	0.2
123.04527	0.7
124.04870	0.3
137.09793	0.2
143.03563	0.3
154.99928	0.3
155.10777	0.3
161.04605	0.9
161.06010	0.4
162.06459	0.5
163.11301	0.9
164.11682	0.7
173.93623	0.2
175.11331	0.4
176.11691	0.3
179.05582	0.5
188.11707	0.4
194.15189	0.2
195.04861	0.7
196.05261	0.7
199.09731	0.3
205.12306	2.6
206.12650	3.0
207.13181	0.2
221.06685	0.3
249.58395	0.2
284.03448	0.4
285.04224	0.4
297.04285	0.6
298.04999	0.5
299.05710	0.7
327.05090	2.9
339.05334	0.5
357.06146	1.2
387.16501	0.7
387.20532	0.7
405.21344	1.4
430.66879	0.2
446.11966	0.4
446.23010	0.3
447.09366	2.4
447.22571	0.8
452.27472	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97848	0.3
54.42950	0.3
56.30531	0.3
60.36596	0.3
69.76123	0.6
69.76518	0.7
72.88762	0.3
87.30040	0.3
93.03450	0.3
95.92550	0.3
107.01382	0.8
125.02476	0.5
127.34959	0.3
132.02141	0.6
135.00868	0.4
151.00349	2.2
153.01854	0.5
163.00319	0.7
164.57773	0.3
165.92699	0.3
175.04025	0.4
178.99805	0.3
183.04471	0.9
187.03947	0.7
195.04884	0.4
199.03915	0.4
211.03963	1.2
213.05568	0.4
227.03484	57.1
228.03897	3.6
229.05069	1.6
239.03336	0.5
243.02844	0.4
255.02975	72.6
256.03583	10.3
257.04404	1.6
284.03250	60.1
285.03964	24.6
286.04358	1.2
327.04990	0.8
447.09293	100.0
448.09631	12.5
448.15927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
61.98822	1.5
62.96416	1.3
69.78616	1.3
70.44485	0.2
77.07322	0.2
78.95903	38.5
90.82769	0.3
96.96962	2.8
99.92596	0.3
103.55643	0.2
116.92852	0.5
137.83157	0.2
149.00090	19.9
149.06058	0.3
150.00415	0.4
152.99580	1.1
158.04054	0.3
158.92566	1.5
179.01144	2.2
205.16010	1.4
211.13377	0.5
227.03490	0.8
240.96667	0.4
255.02974	1.0
267.11655	0.4
284.03329	0.8
285.03973	0.5
292.85083	0.3
347.08255	0.6
403.32169	0.8
417.12311	0.8
431.10217	2.1
432.10837	0.3
447.13422	100.0
448.13751	9.0
464.10242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15296	0.2
59.01376	0.6
61.98820	0.4
62.96415	0.9
70.74098	0.4
78.95902	35.1
96.13242	0.2
96.32568	0.2
96.96958	2.3
99.92571	0.3
108.19661	0.2
116.92883	0.3
147.99321	0.2
149.00087	17.3
149.06042	0.3
150.00392	0.2
152.99644	0.4
158.92534	1.9
165.60980	0.2
168.43742	0.2
179.01149	2.7
205.15959	1.6
227.03500	0.2
240.96707	0.3
251.71271	0.2
255.02910	0.5
263.34131	0.2
267.11588	0.4
284.03107	0.4
285.03943	0.2
293.86148	0.2
300.14853	0.2
301.85452	0.2
327.22394	0.2
347.08063	0.5
363.67535	0.2
417.12350	0.6
431.10226	2.6
431.15402	0.3
432.10901	0.2
447.13406	100.0
448.13736	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	447.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	0.4
59.01377	3.9
60.99306	15.3
61.98819	2.0
69.29306	0.8
69.29710	2.2
71.01374	0.9
79.95735	0.3
84.93700	0.4
88.98804	100.0
89.02456	0.7
89.99145	0.8
101.02449	0.6
132.04518	1.1
136.07672	3.1
144.08078	0.3
154.85425	0.3
158.64111	0.3
215.30362	0.3
221.65981	0.4
227.03482	1.6
228.00446	0.4
255.02965	1.7
256.84451	0.4
281.12869	0.6
284.03278	1.8
285.04105	1.2
325.11917	1.3
357.14597	2.6
447.09180	2.8
447.20975	0.3
447.26202	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71377	0.6
58.00560	0.6
59.01379	100.0
61.98816	1.2
69.15244	5.7
71.01383	11.9
73.02959	2.6
83.01387	1.6
85.02943	4.3
86.00098	0.6
89.02444	13.1
95.01403	1.0
96.95971	0.7
99.00900	1.3
99.92580	1.1
100.92603	1.1
101.02444	9.6
113.02451	5.0
115.92082	2.0
116.92110	1.2
116.92855	9.2
117.92881	7.0
118.92700	0.7
119.03488	5.4
123.04516	1.9
131.03685	0.7
143.03496	1.5
161.04532	3.3
167.65349	0.5
179.05606	25.3
187.83522	0.5
225.15005	3.7
227.03436	0.8
243.16074	1.2
255.02939	0.8
284.03339	1.0
285.04193	1.3
300.14252	0.6
343.03073	0.7
387.16483	1.3
387.20474	8.9
388.20645	0.7
405.21271	61.1
406.21570	5.5
447.04153	2.6
447.09344	1.5
447.22385	27.8
448.22684	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13205	0.9
56.91035	0.8
57.03447	4.7
59.01381	42.3
60.01696	1.1
61.98828	5.9
68.83311	0.8
69.03452	2.6
69.24055	8.5
71.01380	26.4
72.01727	1.1
72.99305	3.4
73.02940	3.7
73.22598	0.8
75.00873	21.8
78.85880	0.9
83.01390	1.7
85.02946	9.0
87.00866	6.5
87.04503	1.1
88.98800	2.0
89.02425	3.5
92.74950	0.9
97.02943	3.5
98.19891	2.0
99.00887	12.9
99.04500	1.8
101.02435	2.5
103.00368	11.3
105.00755	2.6
109.06586	1.2
111.00877	1.5
113.02445	1.6
114.01962	3.4
115.04037	1.1
120.99658	10.2
129.01944	21.6
131.03494	1.6
139.11252	1.7
141.01945	2.9
159.03011	2.9
161.04645	1.5
165.12862	4.9
174.04143	1.1
177.04041	27.3
183.10236	2.4
189.12822	1.6
191.05618	1.6
193.03560	1.4
195.05072	11.6
199.09656	1.0
207.13855	7.6
209.11795	7.5
211.13409	7.4
225.14914	3.1
227.03462	7.4
237.06218	1.0
243.12370	1.2
246.36162	0.9
251.12831	2.8
254.08199	1.6
255.02956	14.1
256.03671	1.7
267.07147	0.9
269.13928	39.4
269.16956	1.9
270.14191	3.8
271.14468	2.2
284.03162	9.7
285.03940	5.8
289.11856	2.4
325.20221	1.0
344.11368	3.8
349.14017	3.2
429.17303	4.7
447.09518	13.7
447.18555	100.0
447.25549	3.6
448.09549	1.3
448.18851	8.9
453.59570	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13205	0.9
56.91035	0.8
57.03447	4.7
59.01381	42.3
60.01696	1.1
61.98828	5.9
68.83311	0.8
69.03452	2.6
69.24055	8.5
71.01380	26.4
72.01727	1.1
72.99305	3.4
73.02940	3.7
73.22598	0.8
75.00873	21.8
78.85880	0.9
83.01390	1.7
85.02946	9.0
87.00866	6.5
87.04503	1.1
88.98800	2.0
89.02425	3.5
92.74950	0.9
97.02943	3.5
98.19891	2.0
99.00887	12.9
99.04500	1.8
101.02435	2.5
103.00368	11.3
105.00755	2.6
109.06586	1.2
111.00877	1.5
113.02445	1.6
114.01962	3.4
115.04037	1.1
120.99658	10.2
129.01944	21.6
131.03494	1.6
139.11252	1.7
141.01945	2.9
159.03011	2.9
161.04645	1.5
165.12862	4.9
174.04143	1.1
177.04041	27.3
183.10236	2.4
189.12822	1.6
191.05618	1.6
193.03560	1.4
195.05072	11.6
199.09656	1.0
207.13855	7.6
209.11795	7.5
211.13409	7.4
225.14914	3.1
227.03462	7.4
237.06218	1.0
243.12370	1.2
246.36162	0.9
251.12831	2.8
254.08199	1.6
255.02956	14.1
256.03671	1.7
267.07147	0.9
269.13928	39.4
269.16956	1.9
270.14191	3.8
271.14468	2.2
284.03162	9.7
285.03940	5.8
289.11856	2.4
325.20221	1.0
344.11368	3.8
349.14017	3.2
429.17303	4.7
447.09518	13.7
447.18555	100.0
447.25549	3.6
448.09549	1.3
448.18851	8.9
453.59570	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
57.03439	6.4
58.00609	1.7
59.01375	63.8
60.01712	1.8
61.98829	18.4
65.78430	1.3
69.03448	3.7
69.25981	13.2
71.01379	31.4
72.99306	4.3
73.02934	8.0
75.00865	22.3
83.01375	2.8
85.02933	8.0
87.00867	6.8
87.04504	3.6
88.98796	3.5
89.02439	4.8
97.02917	4.5
98.20677	2.9
99.00885	13.2
99.04527	1.8
101.02446	18.2
102.02778	2.9
103.00369	25.5
103.02879	2.9
104.00732	2.5
105.00810	4.2
111.00843	2.3
113.02444	4.4
114.01964	7.9
116.92812	7.1
119.03532	1.7
120.99654	40.5
125.02470	1.8
129.01927	20.8
129.10419	1.8
130.08681	3.7
131.03543	3.2
132.04535	1.8
136.07668	2.2
139.11252	3.7
141.01903	2.5
150.69009	1.8
155.10780	3.2
159.02951	4.4
161.04602	3.2
165.12813	4.6
174.04073	4.7
177.04025	26.5
181.12364	8.7
183.10197	4.5
193.03412	2.7
195.05078	13.1
199.09764	3.3
207.14005	7.1
209.11766	9.1
211.13425	19.5
221.06398	1.5
225.11275	4.3
225.14919	3.0
227.01331	3.0
227.03490	35.0
228.03738	1.6
251.12833	2.1
253.09224	3.3
254.08229	2.7
255.02989	46.8
256.03586	6.4
269.13931	41.9
269.17453	6.0
270.14252	6.9
271.14413	5.7
283.11963	2.6
284.03247	36.8
285.04022	21.7
285.12814	7.0
289.11935	6.4
301.03415	4.6
325.20215	4.8
344.11392	8.9
349.14130	8.2
429.17590	5.1
447.09186	54.4
447.18515	100.0
447.25848	4.7
448.09326	4.4
448.18564	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03441	1.0
59.01381	69.3
60.01717	0.6
61.98825	3.6
69.17272	0.7
69.17675	4.3
71.01382	14.4
72.45486	0.5
72.99312	0.7
73.02952	5.3
83.01384	3.1
85.02951	8.0
86.00091	0.6
87.00865	1.0
87.91792	0.5
89.02444	4.2
95.01395	1.4
98.19898	0.8
99.00874	2.9
101.02442	12.6
103.00400	0.9
113.02433	5.5
119.03523	1.6
126.64923	0.5
143.03555	0.6
150.11490	0.5
161.04556	4.5
179.05608	1.5
197.15451	1.3
215.26697	0.5
225.14984	6.5
243.16014	1.9
251.94662	0.6
272.85303	0.5
387.20212	16.3
388.20261	0.8
405.21274	100.0
406.21622	7.4
447.22348	46.8
448.22766	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01379	100.0
60.01709	1.0
61.98815	1.0
69.16876	5.2
71.01386	11.7
72.99344	0.6
73.02947	1.8
83.01407	1.3
85.02944	3.2
87.00853	0.7
89.02445	13.8
95.01429	0.6
99.00896	0.7
99.92593	1.2
100.93336	0.5
101.02444	8.0
104.93787	0.5
113.02427	4.0
115.92082	1.3
116.92112	1.2
116.92860	6.9
117.92864	4.5
118.10957	0.6
119.03494	5.6
123.04495	1.3
131.03543	0.6
131.65775	0.5
134.07367	0.6
143.03516	2.3
151.07666	1.6
161.04582	2.1
173.19601	0.6
179.05605	13.8
180.06082	0.6
187.08247	0.5
225.15068	1.9
231.84076	0.5
243.16248	0.5
387.20291	5.5
403.05014	0.6
405.21277	32.4
406.21567	2.7
447.04251	1.3
447.22375	15.6
448.22784	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	447.2236
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01852	0.5
57.03451	3.5
57.65584	0.3
58.00595	0.4
59.01380	12.1
61.98826	0.4
68.99824	0.7
69.03451	1.8
69.19289	3.5
71.01382	20.3
71.05012	1.0
72.01737	0.5
72.98644	0.3
72.99306	2.4
73.02961	0.8
74.59039	0.3
75.00874	39.1
83.01385	1.0
85.02950	5.1
85.59441	0.3
86.67613	0.3
87.00877	6.6
87.04514	20.1
89.02443	2.3
96.99245	0.3
97.02943	1.4
98.19854	0.6
99.00882	10.6
99.04504	0.6
101.02429	1.0
103.00372	1.4
110.89097	0.3
111.00869	1.3
113.02466	0.9
115.03993	0.5
117.01936	0.5
120.99606	1.1
123.04509	1.0
129.01938	16.7
131.03564	1.9
139.11372	0.5
141.01991	1.9
152.76817	0.3
159.02965	2.7
160.28371	0.4
177.04036	16.3
183.10258	0.9
195.03313	0.4
195.05089	6.7
207.17488	1.2
211.13377	1.1
227.03488	0.8
243.12361	4.0
255.02992	1.5
269.17569	10.8
270.17896	0.8
284.03354	1.3
285.03885	0.5
293.17599	0.9
358.11359	0.4
381.90167	0.3
411.20071	2.9
447.09848	2.6
447.22339	100.0
448.22696	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	447.2231
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
51.24500	0.3
54.09261	0.3
55.01877	4.4
55.50916	0.3
57.03450	4.5
58.00597	2.9
59.01381	66.1
60.01725	0.4
61.98843	2.1
67.01897	0.4
68.99817	0.5
69.03460	2.5
71.01383	100.0
71.52373	0.4
72.01701	1.5
72.99308	4.4
73.02949	25.3
75.00866	2.2
81.03463	1.0
83.01388	11.8
83.05057	0.3
84.02185	0.6
85.02952	33.7
86.00102	0.6
86.03287	0.5
87.00887	5.3
89.02446	57.9
90.02768	0.8
95.01385	4.8
97.02934	4.3
99.00880	13.9
99.04511	0.5
101.02445	59.7
102.02766	0.9
103.00340	0.6
109.02987	0.3
111.00880	4.1
113.02451	29.0
114.02774	0.9
115.04030	2.2
119.03508	6.0
120.99650	0.6
125.01539	0.5
125.02456	7.4
126.02833	0.3
127.04001	0.4
129.01959	1.6
131.03505	27.8
132.03900	0.5
137.02419	0.4
141.01979	0.3
142.43654	0.3
143.03496	5.5
149.04552	18.0
150.04904	0.4
151.03891	0.3
159.03011	5.2
161.04553	37.2
162.04922	0.6
165.01918	0.4
173.04472	0.4
177.04079	1.1
179.05618	0.9
183.13911	1.1
187.06200	0.4
191.05594	5.8
205.03481	1.2
211.13388	14.0
211.15428	0.8
212.13766	0.9
215.05582	0.9
227.03430	2.3
233.06648	4.4
237.44086	0.3
243.11295	0.3
245.30769	0.3
253.09262	1.2
255.02956	3.3
269.17477	0.4
284.03256	2.8
285.04004	0.9
293.08893	3.4
315.18106	32.0
316.18430	2.4
386.18912	0.3
447.09702	4.3
447.22339	89.2
448.22668	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	448.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.5
60.99010	0.9
60.99305	13.8
61.98831	28.1
71.01387	1.5
71.50530	0.7
71.85272	0.6
72.99309	1.0
78.89902	0.5
86.04908	0.6
88.98805	100.0
89.02432	3.2
89.99137	0.6
91.80918	0.6
94.02985	1.8
96.96017	1.0
100.96880	0.5
115.43533	0.6
116.92846	1.4
118.47381	0.6
125.02444	1.5
130.00018	0.6
207.12646	0.6
215.70033	0.7
285.03693	0.9
286.04373	1.2
448.09235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.174
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83205	0.7
59.01375	2.0
60.02569	0.8
61.98831	100.0
69.87847	3.7
92.65231	0.9
116.20940	0.8
177.50424	0.9
251.20055	1.0
351.62897	0.9
352.46680	1.0
382.08429	1.0
399.54727	0.8
412.39908	1.0
445.34058	1.0
448.09534	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.3
59.01379	11.6
60.01702	0.6
61.98829	100.0
69.18951	0.8
69.19383	1.1
71.01392	1.7
73.02952	0.5
82.54572	0.2
83.01416	0.2
85.02982	0.6
87.00864	0.2
89.02438	1.3
95.01407	0.3
99.00907	0.2
101.02437	1.1
102.02811	0.3
113.02460	0.6
116.36266	0.2
119.03550	0.3
125.02444	1.0
128.38603	0.2
155.10786	0.2
161.04601	0.7
167.03526	0.6
178.99821	0.3
225.14906	0.3
226.15277	0.2
227.16580	0.4
256.13046	0.3
259.06140	0.8
269.04678	0.6
287.05624	0.6
388.20465	2.2
389.21674	1.1
405.21405	0.5
406.21591	4.7
407.21844	0.3
448.22711	2.3
449.11160	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28575	0.2
55.11037	0.2
59.01379	4.9
61.58679	0.2
61.98829	100.0
69.44203	0.4
69.44609	1.2
71.01389	0.8
73.02945	0.4
85.02984	0.3
89.02448	0.3
93.03458	0.3
101.02442	0.3
113.02458	0.3
123.33586	0.2
130.53175	0.2
137.02426	0.4
149.06047	0.3
165.51114	0.2
209.11914	0.3
225.14955	0.4
226.15286	0.2
227.12775	1.2
228.89828	0.2
269.13852	0.5
287.09668	0.3
287.14990	4.5
290.84528	0.2
299.00916	0.2
388.20700	0.7
415.25668	0.2
448.22800	0.2
449.20499	0.7
465.15659	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96080	0.5
59.01376	3.9
59.42487	0.6
61.73959	0.6
61.98830	100.0
62.57932	0.6
71.52097	0.8
76.91072	0.6
78.78297	0.6
96.24413	0.6
115.92066	1.3
128.11247	0.7
141.90627	0.6
150.13881	0.6
167.32826	0.6
185.07521	0.6
211.13434	1.2
212.13739	1.4
237.79047	0.6
256.03500	0.9
285.03781	1.0
329.93811	0.6
366.40878	0.6
385.22504	1.1
397.74081	0.7
448.09802	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	448.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.5
60.19174	1.3
61.34394	1.3
61.98830	100.0
69.33502	1.2
69.84869	3.7
78.95899	1.6
80.73798	1.2
100.99758	1.5
116.92869	1.8
152.99553	2.3
398.83469	1.5
448.09299	2.3
448.31912	2.0
449.32657	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	449.1499
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01377	6.5
61.98823	5.1
62.96411	27.6
70.08781	1.6
78.95904	61.8
79.66735	0.6
80.97472	33.7
98.20658	0.6
112.08847	0.6
134.03754	0.9
149.00087	14.8
149.06071	1.4
179.01125	2.1
205.15942	8.5
206.16286	0.9
218.71991	0.6
240.41396	0.8
242.98227	5.7
285.12637	2.1
293.07742	0.7
355.16776	17.6
356.17078	1.7
385.17859	23.9
386.18036	1.3
395.26517	0.6
449.14960	100.0
450.15302	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	449.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.1
61.98840	5.8
65.03969	1.1
71.08721	1.1
78.95898	2.7
87.81372	0.9
91.01874	3.4
93.03462	21.3
95.33382	0.9
106.04237	2.1
108.02155	2.4
109.02965	6.8
116.92831	2.3
121.02968	7.6
121.06567	1.2
133.02962	1.1
133.06517	1.3
134.03746	54.5
135.00899	7.3
137.02449	100.0
137.09706	2.0
138.02756	2.8
147.04578	1.4
148.05301	1.8
149.06082	83.1
150.06439	2.0
151.04015	4.7
152.99576	2.7
153.01926	2.2
159.08162	1.6
160.24873	1.1
161.09692	4.5
177.09207	3.2
205.08698	10.5
215.07108	8.3
227.12364	1.0
241.08588	1.3
259.09729	2.9
281.11847	3.0
287.09244	7.2
299.12939	12.2
355.15421	8.6
356.15930	1.3
365.13766	1.3
431.18549	2.5
449.19727	17.6
449.25140	0.9
450.19696	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	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01720	0.9
61.98829	11.7
71.01376	4.2
71.51314	0.6
72.99304	0.4
73.02954	1.5
74.23915	0.4
74.90855	0.3
81.03484	0.6
83.01412	0.5
85.02928	1.8
89.02451	1.7
95.01401	0.4
96.96032	0.6
97.02975	0.4
99.00877	0.6
99.04575	0.6
99.92574	1.9
101.02430	4.5
103.00423	0.8
113.02448	2.6
115.04059	0.5
115.92089	1.8
116.03371	0.4
116.92862	8.3
117.05643	0.4
117.92896	1.0
118.92680	0.5
120.31042	0.4
125.02494	0.6
137.02478	0.8
143.03529	0.5
149.06035	0.4
158.47998	0.3
161.04547	3.1
165.02007	0.4
168.66930	0.4
195.06779	0.5
209.04573	0.8
281.37823	0.4
294.79871	0.4
389.21704	5.6
389.25775	0.5
407.22028	1.6
449.04285	1.1
449.19940	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	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03445	0.4
59.01379	100.0
60.01707	0.6
61.98828	6.4
65.96883	0.3
71.01382	4.9
71.34637	0.4
73.02961	1.8
81.03470	1.8
82.93950	0.4
82.94466	0.3
83.01379	0.9
85.02950	2.3
89.02456	1.1
95.01406	0.6
95.05032	1.0
99.00916	1.1
99.04544	1.9
101.02435	3.9
113.02444	2.6
117.03467	0.9
119.03518	0.4
123.04545	0.8
125.02467	3.4
137.02472	0.5
159.03024	0.6
161.04539	4.6
167.03488	9.8
183.16327	0.4
197.04510	2.2
198.04979	0.4
227.16576	1.1
235.02524	0.4
281.24475	0.4
287.07864	0.7
329.06580	2.4
331.17783	0.5
359.07703	0.8
389.21777	14.9
390.22440	1.3
407.22034	0.6
449.24313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52817	0.8
54.96747	0.7
57.03446	0.8
59.01381	100.0
60.01714	1.2
61.01806	1.2
61.96426	0.7
61.98830	49.1
62.98556	0.7
69.39301	4.0
71.01384	10.8
73.02956	2.2
73.26941	0.6
75.00878	0.8
83.01402	1.4
83.87014	0.7
85.02960	3.3
89.02440	4.0
93.03538	0.7
97.02959	0.9
98.19994	1.2
99.00892	1.1
101.02425	5.6
113.02449	5.2
119.03523	1.5
123.04486	0.7
125.02463	6.6
137.02383	0.8
139.38353	0.6
151.00366	1.5
153.01964	1.1
155.10841	2.8
159.02992	0.9
161.04532	9.7
167.03529	2.6
178.99942	0.8
179.05708	0.8
227.16510	5.9
259.06116	5.2
269.04510	5.1
287.05719	3.2
287.08908	0.8
389.21790	14.3
390.22180	1.3
407.21695	3.5
449.10605	5.3
449.23761	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99326	0.2
51.27628	0.2
59.01382	0.8
61.98831	100.0
70.71754	0.5
70.72102	0.3
107.03773	1.1
108.08191	1.1
121.05350	1.2
122.06124	3.6
136.07684	19.8
137.08029	0.3
147.03275	2.3
148.04068	0.9
149.05911	0.2
152.03584	0.3
152.07181	5.6
152.47261	0.3
153.04324	0.5
159.60172	0.2
160.04033	0.7
163.02798	0.6
176.03539	1.1
202.30988	0.3
206.04590	7.3
210.05588	0.4
212.07271	0.3
218.04547	0.3
238.07277	0.6
242.08075	0.5
254.04619	0.6
286.07193	1.4
298.07410	0.3
312.11212	0.7
327.13672	1.1
355.12994	8.2
356.13440	0.8
387.15607	12.2
388.16135	1.3
423.15768	0.3
451.15036	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	450.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.98830	100.0
71.52647	0.2
82.74706	0.1
98.93111	0.2
99.62947	0.1
100.98139	0.1
107.03756	0.9
110.67933	0.1
118.24859	0.2
120.04546	0.2
122.06120	5.2
122.06951	0.3
123.06464	0.2
131.03798	0.4
132.04555	0.9
132.91559	0.1
134.06122	0.3
139.02769	0.3
142.45836	0.2
146.06104	0.3
152.07172	12.7
153.07494	0.4
158.02422	1.2
159.03035	0.2
159.84357	0.1
162.05650	0.6
164.07188	0.2
190.05099	5.6
191.05498	0.2
222.07712	6.1
222.09825	0.3
238.72876	0.2
285.04099	0.2
285.84146	0.2
312.20755	0.2
315.57315	0.2
323.10583	0.2
355.13168	0.5
359.15991	0.2
387.15588	20.0
388.15939	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	450.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71033	2.0
59.01379	63.2
61.98816	9.3
69.03457	5.8
69.41660	15.2
70.39893	2.3
71.01380	70.0
73.02932	10.4
75.00874	3.3
83.01390	4.7
85.02945	7.7
89.02446	100.0
94.02971	3.5
97.02934	8.0
99.00876	16.3
101.02438	26.0
109.95638	1.9
111.00883	3.3
113.02439	7.9
115.04012	5.2
116.31998	2.1
116.92887	3.4
125.02455	33.7
131.03502	11.5
132.87553	2.3
143.03459	3.6
149.04559	45.5
163.98766	2.6
191.05579	11.8
197.09167	2.4
221.06595	3.3
233.06657	25.7
251.07730	2.1
293.08774	67.8
294.09152	4.4
390.14008	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88654	0.5
53.71924	0.4
54.11122	0.4
55.74327	0.5
57.03450	1.7
59.01379	6.5
60.41265	0.5
61.98830	100.0
67.10583	0.5
71.01395	2.8
71.52094	0.7
71.52471	0.6
73.02949	1.1
75.88507	0.4
83.01395	0.5
85.02989	0.7
87.00945	0.5
89.02454	1.2
97.12151	0.5
99.04557	2.2
101.02448	2.1
113.02493	0.9
119.04955	0.6
120.99660	1.0
125.02441	0.8
163.11356	1.1
169.12364	2.2
170.12740	2.0
181.12343	10.6
183.60693	0.6
207.10252	0.6
213.11163	0.5
225.11319	21.6
226.11774	1.3
249.11391	0.6
275.09494	0.7
307.17535	1.1
314.61847	0.5
354.31860	0.5
387.16742	2.4
450.20609	4.4
451.22070	1.3
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
55.01866	0.9
57.03445	2.0
59.01381	46.2
60.01701	1.4
61.98830	100.0
63.39315	0.4
70.21799	0.8
70.22182	0.7
71.01382	12.1
71.05060	0.5
71.18122	0.4
72.01747	0.4
73.02946	3.2
73.33849	0.4
81.03453	6.0
82.03813	1.8
83.01386	3.8
84.01716	0.5
85.02949	5.3
89.00181	0.5
89.02452	3.2
93.03472	0.8
95.01383	1.0
95.05042	3.2
96.05376	0.8
97.02979	1.5
98.03226	0.6
98.20629	0.5
99.00878	2.1
99.04521	5.9
100.04874	1.6
101.02447	11.7
104.06799	0.5
111.04517	0.6
113.02442	5.6
116.56063	0.4
117.03474	4.4
118.03812	2.4
119.03474	1.0
123.04549	1.9
124.04876	0.6
125.02444	15.3
126.02798	4.9
126.76961	0.4
136.71544	0.4
137.02444	2.5
138.02811	1.6
139.04008	1.9
140.04382	0.7
143.03523	0.8
159.03032	0.8
161.02571	0.8
161.04555	10.0
161.05911	0.7
162.02814	0.8
163.03886	0.4
165.05605	0.6
167.03494	37.2
168.03833	22.6
168.05296	0.9
169.03978	0.8
179.03580	1.0
179.05638	0.9
180.03746	0.7
194.01727	0.6
197.04547	7.4
198.04889	6.0
209.04564	0.5
227.16563	1.0
229.18178	0.7
235.02621	1.5
236.02843	1.7
270.07193	0.6
273.17078	0.4
284.93884	0.6
287.07764	2.1
288.08127	2.2
329.06595	2.5
330.07004	11.7
360.08054	2.3
390.22174	1.7
391.23358	33.0
407.21832	0.6
408.22183	1.8
450.11276	0.5
450.23703	1.4
451.22052	0.7
456.62164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02866	0.5
52.73099	0.4
53.77467	0.5
56.92015	0.4
57.03456	0.6
58.03008	0.5
59.01379	9.4
60.01724	0.6
61.98832	100.0
63.99255	0.5
69.68704	1.0
69.69118	2.0
71.01376	5.3
72.01749	0.5
73.02948	1.3
74.02483	2.0
81.03463	0.6
83.01410	0.7
85.02960	1.9
86.02481	0.9
87.00869	0.5
87.05663	0.5
89.02454	3.6
97.04086	0.5
98.19962	0.7
99.04536	1.3
99.05665	1.1
101.02446	3.6
105.99615	0.5
113.02471	2.1
117.03464	0.6
119.03506	1.3
120.01302	0.5
121.02987	0.9
122.06179	0.5
128.03529	5.2
133.02975	1.2
134.03758	1.9
135.04552	7.2
137.02455	1.4
139.04089	0.5
143.04630	5.5
145.03004	0.9
146.04556	0.7
149.06001	0.6
161.02428	3.1
161.04587	1.5
169.62819	0.5
179.03432	4.1
179.04678	0.5
192.06509	0.6
206.77562	0.6
210.08893	1.3
254.07828	3.2
267.77188	0.5
272.08871	6.5
293.58939	0.6
304.06189	1.2
304.15521	22.8
305.15985	2.0
318.16989	4.1
332.17911	1.1
342.05350	0.5
355.26712	0.5
368.45139	0.6
387.22678	1.4
390.22314	1.4
406.21887	0.6
422.19226	0.6
450.19235	1.4
450.25165	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	450.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.5
60.01715	1.4
61.01804	0.5
61.98829	100.0
62.98523	0.2
71.01379	2.4
71.51579	0.3
72.99322	0.3
73.02953	0.6
83.01366	0.2
85.02973	1.0
89.02446	1.8
90.02772	0.2
95.01411	0.2
101.02441	2.6
102.02805	0.3
102.31257	0.2
103.04059	0.3
113.02452	1.2
117.05593	1.6
119.03513	1.0
125.02436	1.1
126.02767	0.2
131.03583	0.4
143.03522	0.5
149.06079	0.3
151.00356	0.2
161.04562	1.1
163.06139	1.2
179.05724	0.3
187.62869	0.2
205.07219	0.5
227.16579	0.4
228.16985	0.2
234.92668	0.2
258.74414	0.2
259.06076	0.2
260.06366	0.5
270.04993	0.7
270.29846	0.2
288.06079	0.5
387.16766	0.5
390.22244	1.4
450.11188	0.9
450.24683	0.2
451.21960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12833	0.2
59.01377	1.0
61.98829	100.0
64.37695	0.2
69.50169	0.8
69.50578	0.3
71.01379	0.8
71.45444	0.2
74.91175	0.2
85.02968	0.2
89.02457	0.2
98.20776	0.2
101.02450	0.3
106.01903	0.2
144.22430	0.2
159.75087	0.2
161.04559	0.3
163.61284	0.2
171.55299	0.2
201.18790	0.2
223.89619	0.2
383.86624	0.2
391.23410	0.3
450.20523	0.3
451.25504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02745	0.6
59.01379	2.1
61.98829	100.0
70.06637	1.4
70.07041	1.6
71.01375	1.3
76.95819	0.5
81.03471	1.5
83.05022	5.4
98.00123	0.9
98.20019	0.7
103.81113	0.6
137.02518	0.9
145.02982	1.9
149.06136	0.7
213.04141	2.6
224.17764	1.0
225.16006	3.0
333.22778	0.9
365.97095	0.6
432.12979	0.8
433.31906	1.3
450.21335	0.7
451.32852	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.4
60.01709	0.5
61.01827	0.6
61.98829	100.0
71.01389	1.2
71.51591	0.4
72.99316	0.6
73.02940	0.5
89.02462	1.2
91.47725	0.3
93.47659	0.4
99.00936	0.4
101.02454	0.9
103.00412	0.9
105.11596	0.4
111.04478	0.4
113.02472	0.9
115.04000	0.4
116.92882	0.8
117.05586	2.0
117.92949	0.4
120.31722	0.4
128.03543	0.4
140.82014	0.4
146.08235	0.4
179.05716	0.5
230.38281	0.4
281.20087	0.4
408.22168	0.7
428.60028	0.4
431.64175	0.4
450.13483	0.6
450.23178	0.6
451.21881	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	451.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60069	1.5
53.86090	1.9
55.01870	2.1
57.03439	4.0
58.00595	3.1
59.01382	70.8
59.76740	1.7
61.98830	100.0
63.99257	2.1
69.97477	7.8
71.01382	32.0
72.99294	3.8
73.02949	15.8
74.02451	2.8
81.03455	7.1
83.01376	7.5
85.02950	14.5
87.00880	3.4
87.04496	2.4
89.02447	21.9
91.81084	1.8
95.05038	2.4
96.18766	1.7
97.02954	3.0
99.00876	3.0
99.04519	6.7
101.02441	36.4
103.00354	2.2
103.04039	10.7
113.02460	10.4
115.03970	3.5
117.03442	4.0
118.94015	1.6
119.03481	10.2
119.04979	1.6
123.04516	2.4
124.04889	1.9
125.02453	15.0
126.02767	3.8
127.02884	2.9
131.03485	6.3
135.53024	1.7
143.03477	7.2
145.05070	3.5
154.99892	2.0
155.19765	1.9
158.06099	1.9
159.02994	1.8
161.04517	4.0
163.06108	21.4
165.11186	1.9
167.03517	27.3
168.03850	14.0
169.04019	9.5
175.03987	2.9
197.04520	4.2
198.04993	3.3
199.04933	2.6
205.07140	11.0
265.09174	1.9
290.10431	2.6
305.16019	7.1
329.06647	3.1
331.07214	8.4
357.10803	2.2
361.08221	2.4
361.13754	2.3
389.18179	2.3
391.23407	3.4
408.21744	2.8
451.13113	10.7
451.21521	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	451.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	50.2
61.98825	100.0
65.38734	21.7
71.52145	32.3
95.33998	22.3
138.23628	25.0
259.80911	25.0
328.10910	24.8
393.29922	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98830	5.6
65.20572	0.7
69.86803	0.6
70.63706	1.9
71.01385	2.9
71.06850	0.6
73.02920	0.9
76.85278	0.6
77.69410	0.6
80.26549	0.6
82.43925	0.6
82.46265	0.7
85.02944	1.2
85.13402	0.7
86.19083	0.6
89.02454	1.3
101.02454	2.5
116.92890	2.1
142.58170	0.7
161.04536	1.5
391.23346	8.6
451.25909	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	452.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
61.98830	100.0
69.11103	0.2
69.59229	1.5
71.01373	0.4
76.13461	0.2
89.02469	0.6
98.19913	0.4
101.02433	0.4
106.05407	0.2
119.05042	0.9
163.04024	0.5
198.20712	0.2
289.59885	0.2
321.73657	0.3
381.92303	0.2
393.17795	0.4
442.17819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45609	0.4
57.66405	0.4
59.01381	10.7
60.01722	1.1
60.34930	0.4
61.98830	100.0
69.80763	1.7
71.01379	2.9
71.80833	0.4
73.02932	1.0
77.28391	0.4
83.01395	1.1
85.02971	1.2
86.03336	0.4
89.02455	1.1
93.81879	0.4
93.86433	0.5
99.00922	0.4
101.02441	2.7
113.02451	1.3
121.02978	0.9
141.89204	0.4
149.06119	0.6
161.04590	2.0
162.04790	0.5
165.05589	0.5
391.23575	0.5
392.23679	8.0
393.24121	0.6
431.74237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40808	0.1
56.89384	0.1
59.01384	1.1
61.98831	100.0
68.41415	0.1
71.01387	0.7
71.28091	0.2
71.28413	0.2
72.99345	0.2
73.02953	0.2
89.02457	0.5
99.00900	0.2
101.02448	0.4
119.03545	0.2
119.05025	1.6
124.40746	0.1
145.02982	0.3
149.04625	0.2
150.04282	0.2
163.04010	1.4
239.97804	0.2
392.22983	0.2
393.17896	0.7
452.21469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53481	0.3
59.01378	5.3
61.01825	0.4
61.98830	100.0
63.99249	0.7
69.18604	3.3
71.01386	1.6
73.02965	0.5
74.16707	0.3
85.02968	0.9
88.64545	0.4
89.02446	1.0
93.74923	0.3
99.09157	0.4
101.02425	1.7
103.00368	0.8
113.02449	0.7
116.92860	0.4
149.06094	0.4
153.96814	0.3
160.01648	0.5
175.04025	1.5
195.04961	0.4
272.53638	0.4
290.10428	1.3
355.12250	0.4
365.61133	0.4
393.17841	2.2
452.16336	0.7
452.21552	2.0
453.18106	0.4
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	16:0 LYSO-PE
Peak:m/z	Relative Intensity
52.71786	0.1
57.97185	0.1
60.08114	0.1
61.98832	0.4
62.96416	0.2
71.06528	0.3
78.95904	19.6
80.50622	0.1
82.53123	0.1
91.69525	0.1
104.97470	0.2
120.91268	0.2
122.00141	1.1
122.98535	0.3
140.01181	5.2
152.99591	1.7
166.02704	0.2
176.03447	0.1
196.03790	9.6
214.04857	1.8
237.22139	0.2
255.23279	100.0
256.23636	6.6
391.22568	0.2
452.27817	31.4
453.28137	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25224	0.2
55.01859	0.2
58.84931	0.2
59.01382	0.3
61.98832	100.0
67.34461	0.2
69.70619	0.4
69.71018	1.0
71.01385	0.3
89.02464	0.4
96.96020	0.3
98.20625	0.4
101.02462	0.4
119.05054	0.2
119.48058	0.2
119.57785	0.2
133.03221	0.2
142.65005	0.2
149.04582	0.3
167.02122	0.2
195.05008	0.4
285.27234	0.2
319.43170	0.2
348.07660	0.2
423.18417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98824	0.8
65.13253	0.4
71.14765	0.9
99.92586	6.1
100.93365	3.5
106.29889	0.4
115.92076	100.0
116.92082	3.8
116.92867	6.8
132.92339	0.4
172.95453	5.6
190.09630	0.4
279.23355	0.5
379.15787	0.9
405.17621	0.8
435.18591	0.7
453.19495	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	454.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21644	0.1
57.67108	0.1
59.01383	0.2
61.98830	100.0
67.41519	0.1
70.70564	0.2
70.70882	0.3
71.01389	0.2
89.02428	0.2
94.03053	0.2
96.96021	0.2
99.92619	0.2
101.51171	0.1
129.17451	0.2
131.35287	0.1
138.55965	0.2
146.08212	0.2
149.04594	0.3
163.01053	0.2
217.21185	0.2
247.71719	0.2
277.12274	0.7
311.64319	0.2
391.11517	0.4
454.15063	0.6
455.03412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.15
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34063	0.1
54.29323	0.1
59.01372	0.5
61.98830	100.0
62.98540	0.2
71.01388	0.4
75.00864	0.2
83.82130	0.1
89.02460	0.4
99.92574	0.2
101.02444	0.3
113.12437	0.1
115.08691	0.1
115.92085	0.4
116.92869	0.2
125.02392	0.2
131.03535	0.1
146.08237	0.2
149.04533	0.2
150.34363	0.1
163.01025	0.3
251.87830	0.1
267.11484	0.2
277.12253	0.7
285.12744	0.2
293.08798	0.2
329.11530	0.2
347.12607	0.1
391.11575	0.4
393.38071	0.1
454.15497	0.7
454.26859	0.4
455.03214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54017	0.2
59.01382	0.5
61.98830	100.0
63.82177	0.2
63.99259	0.2
64.04496	0.2
69.58487	0.9
71.01377	0.3
101.02432	0.2
133.05261	0.2
144.07758	0.2
208.05835	0.2
237.04803	0.2
394.24323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
61.98830	100.0
67.29406	0.5
71.51727	0.4
71.52130	0.7
116.92876	0.7
171.10208	1.0
214.17589	0.5
247.24710	0.5
310.56375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99606	0.7
59.01393	0.6
59.99279	0.4
61.98830	100.0
64.72614	0.3
69.24821	0.3
69.88117	1.9
95.23071	0.3
102.98597	4.5
120.82426	0.4
217.84808	0.3
254.15379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90315	0.2
61.98828	100.0
70.69812	0.3
70.70147	0.2
72.98637	0.2
75.25092	0.2
88.57201	0.2
92.98612	0.2
96.96075	0.2
98.01379	0.2
123.15397	0.2
134.43384	0.2
137.02055	0.2
222.27129	0.2
339.57816	0.2
385.49814	0.2
460.90060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65962	0.2
55.73485	0.2
55.96668	0.2
59.01386	0.4
61.98831	100.0
67.84367	0.2
68.91983	0.2
69.80885	1.0
71.01392	0.6
78.95907	1.0
80.42815	0.2
88.98820	0.4
89.02455	0.3
96.96013	9.5
96.96945	2.1
101.02457	0.3
116.92827	0.2
119.05033	0.4
163.06004	0.2
213.12675	0.2
222.27925	0.2
294.09546	0.2
307.59848	0.2
455.12131	0.2
455.22025	0.2
463.11160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75671	0.2
61.98829	100.0
70.17119	0.3
75.25804	0.2
78.62510	0.1
98.20569	0.2
108.90215	0.4
110.20592	0.2
110.89905	0.2
112.89684	0.5
135.92163	0.4
179.95604	0.4
182.92911	0.2
206.97511	0.2
370.77267	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	0.7
59.01381	100.0
60.01698	0.7
61.98830	5.8
63.46970	0.6
68.99589	0.6
70.82091	0.5
71.01390	1.0
73.04057	0.6
77.29663	0.6
99.92612	0.8
103.00405	0.6
115.00313	0.6
116.92871	0.6
129.10367	3.4
130.08737	5.6
136.07678	1.2
143.11906	4.7
166.56966	0.5
169.09908	1.2
171.11458	3.0
187.10893	1.5
209.11850	1.2
227.12915	1.2
236.73994	0.6
256.20190	3.2
339.13431	0.6
369.28683	2.3
455.28769	19.9
456.28842	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	455.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91805	0.5
57.03441	2.9
59.01379	100.0
60.01730	0.8
61.98829	9.2
62.47221	0.5
69.18381	0.5
70.76210	0.5
71.01398	2.7
73.02966	1.0
73.92226	0.6
85.02961	0.8
89.02431	0.9
90.28554	0.5
93.03419	0.6
97.02961	0.9
99.04515	2.9
101.02452	2.9
103.00383	1.0
108.02177	17.4
113.02451	1.1
119.04994	0.7
121.02953	72.2
122.03302	2.0
123.04514	0.7
125.02415	0.6
128.03557	0.8
135.04521	11.3
136.05313	8.9
139.04056	0.8
141.68256	0.5
146.03726	0.6
147.04503	0.6
153.45450	0.6
163.04022	1.6
164.04791	20.1
165.05461	1.8
171.10260	0.8
203.10773	1.0
209.11844	0.6
227.12906	1.7
233.11810	95.4
234.12157	5.2
275.77649	0.6
455.21783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2649
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
57.03445	1.4
58.00608	1.3
59.01381	31.2
61.98847	4.4
69.41719	0.9
69.76140	4.0
71.01382	18.3
72.99282	1.6
73.02945	1.0
80.51845	0.9
83.01385	1.2
85.02966	4.8
87.00905	0.9
88.98792	1.5
89.02449	14.0
92.93088	0.9
95.01382	1.5
101.02433	9.5
110.69051	0.7
113.02452	5.7
119.03542	4.6
171.10239	2.8
193.08395	1.2
195.13799	0.8
209.11829	1.2
223.13387	1.4
224.65976	0.8
227.12798	1.7
269.26440	0.9
275.20129	4.2
293.21204	20.9
294.21527	1.2
455.26468	100.0
456.26840	10.1
458.71967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56697	0.3
57.03463	0.4
58.02977	3.5
59.01378	9.4
61.98832	3.6
66.03484	0.3
67.89137	0.3
71.01389	0.7
71.52034	0.4
71.52388	0.3
72.00901	0.6
73.04073	2.4
74.02470	1.0
82.06613	1.0
83.01370	0.8
83.43497	0.3
84.00913	1.5
85.02927	0.5
85.47903	0.2
89.02451	0.4
97.02917	0.3
100.07672	0.3
101.02435	0.6
115.92060	0.4
120.01357	0.3
125.10796	0.3
126.09237	2.3
128.07101	0.3
129.10339	14.8
130.08740	30.4
131.09109	0.8
139.03967	0.3
139.08780	1.8
140.07117	0.8
141.10353	2.5
143.11902	26.4
144.12228	0.6
145.06169	0.3
149.46210	0.3
152.07159	1.2
153.10255	1.3
154.08746	2.2
164.14413	0.6
169.09825	5.2
171.11391	18.8
172.09830	0.3
172.11783	0.8
182.15405	0.4
187.10880	7.3
195.15092	0.6
197.16579	1.0
199.18147	1.6
208.13443	1.2
209.11827	0.6
221.16512	0.6
223.18234	0.3
224.17636	0.8
225.11270	0.4
225.14459	0.3
225.16148	2.4
226.11954	0.3
227.12756	0.5
229.12082	0.4
238.19070	0.3
239.17549	0.4
242.18741	2.4
243.12260	0.3
256.20306	17.7
257.20456	0.8
266.18704	1.7
280.20316	0.7
284.19821	0.8
300.19342	1.6
303.23129	0.3
312.26666	1.8
331.18234	0.4
369.28702	10.8
370.29037	1.0
411.29892	1.3
413.27692	0.5
455.28732	100.0
456.29086	9.7
461.03140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03440	2.3
58.00589	2.2
59.01112	0.8
59.01382	10.5
61.98824	1.8
66.03474	1.0
67.01891	6.9
69.03478	1.0
69.61993	3.1
71.01376	4.7
72.99321	0.6
73.02937	3.9
82.02989	3.5
83.01409	0.6
83.05039	1.1
85.02953	4.2
86.40028	0.6
87.00902	0.7
87.03972	0.7
87.04512	17.2
94.02985	100.0
95.01425	0.5
95.03327	2.3
97.02954	3.4
97.06572	0.8
99.00881	0.8
99.04530	1.2
101.02437	3.2
102.30288	0.5
104.94305	0.5
107.05021	0.6
109.06566	0.7
111.04568	1.0
111.08169	0.9
112.04073	2.2
113.02435	1.8
121.06615	0.9
123.08177	0.7
125.02448	1.8
125.06078	1.0
127.07670	1.0
129.74243	0.6
133.10201	0.5
135.08150	2.9
137.06114	1.2
137.09727	15.7
138.76672	0.5
139.07651	3.0
139.11258	1.1
141.09219	1.1
149.09671	0.9
150.15231	0.5
151.07574	0.6
151.11299	2.4
155.10780	76.6
156.11098	2.3
157.38031	0.5
161.09633	0.6
162.06877	0.8
163.07678	0.9
163.11279	1.9
165.09225	0.7
167.10765	2.4
169.12335	4.1
177.09229	1.6
179.10753	6.2
181.08696	7.6
181.12245	0.8
191.10793	4.9
193.12338	1.4
195.10245	5.5
199.09750	57.7
199.13464	1.6
200.10133	2.1
209.11845	0.7
213.11359	2.6
223.09702	1.9
225.11339	1.6
227.12833	1.3
237.11372	1.0
241.10794	14.3
242.11272	0.9
253.10786	5.6
255.12364	4.4
269.51819	0.5
283.11874	27.1
284.12274	1.1
343.13956	19.4
344.14566	1.4
426.17670	34.0
427.18039	2.0
438.17673	28.9
439.18008	2.6
454.48254	0.6
455.16071	0.5
456.18741	21.4
457.19318	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	456.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.2
56.84689	1.9
57.03441	10.4
59.01378	53.6
61.98831	26.4
69.03462	11.4
71.01379	21.1
71.52605	2.2
72.99340	1.7
73.02943	12.0
75.00852	2.6
83.01384	1.9
83.05005	2.2
83.68940	1.5
85.02950	62.0
85.03466	3.0
87.00883	3.8
87.04056	2.1
87.04506	11.8
89.02448	4.4
95.01408	2.3
96.96030	1.8
97.02956	14.8
99.00885	4.9
99.04533	4.9
99.92557	2.0
101.02458	11.9
103.00382	2.5
109.02980	3.4
109.06552	2.1
112.63386	1.7
113.02437	8.8
115.03972	4.6
116.92805	1.6
119.03508	2.2
121.02954	11.7
123.19284	1.7
125.02442	4.0
125.06042	2.9
127.04009	7.9
128.03520	3.5
130.58807	1.5
135.08157	7.9
135.14304	1.8
136.07671	1.9
137.09726	34.6
155.10779	100.0
156.11137	1.7
166.06352	18.5
169.12337	2.4
171.10271	1.8
179.96179	1.5
181.08690	29.1
199.09752	77.7
200.10051	4.3
209.11818	4.2
213.11417	3.5
223.09697	1.9
225.11267	2.9
227.13078	2.2
235.13374	38.9
237.11414	2.0
241.10783	18.7
253.10765	8.9
255.12399	2.7
267.12317	16.4
274.73685	2.1
283.11832	35.5
309.13452	3.9
343.13889	4.4
385.21042	2.2
429.17139	11.7
455.63467	2.5
456.18509	17.5
456.29507	1.9
457.19165	1.9
457.28259	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	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14930	0.2
55.01869	1.4
55.53054	0.2
57.03442	0.6
58.00586	3.1
59.01377	68.1
60.01720	0.4
61.98832	0.4
65.26883	0.2
67.01901	0.5
69.03452	7.1
69.33701	1.4
69.34096	0.5
71.01379	71.0
72.01717	0.8
72.99300	3.3
73.02945	9.6
75.00865	3.0
79.01896	1.5
81.03455	4.4
83.01385	4.9
85.02947	7.0
86.34512	0.2
87.00867	2.3
89.02441	100.0
90.02763	1.2
90.20728	0.2
94.94404	0.2
95.01385	2.4
97.02385	0.2
97.02946	10.9
99.00876	16.0
99.04525	2.4
101.02437	15.1
101.65711	0.2
102.02757	0.2
107.01415	0.7
107.72840	0.2
109.02970	0.7
110.41524	0.2
111.00867	1.7
113.02454	7.1
115.03191	0.4
115.04013	8.2
117.01954	0.4
119.03499	2.1
121.02973	0.7
121.52860	0.3
123.00868	0.4
125.02443	48.4
126.02767	1.1
127.03987	1.7
130.08714	0.4
131.03497	11.0
143.03493	4.0
147.04533	1.0
148.05298	57.7
149.04555	15.6
149.05650	1.8
150.04874	0.5
155.03496	0.6
159.64639	0.2
161.04602	2.3
163.07639	16.4
164.07957	0.5
167.42374	0.2
171.02974	0.2
173.04549	0.8
175.06093	0.9
191.05598	9.2
215.05441	1.1
224.76505	0.2
233.06644	38.7
234.06953	1.4
293.08765	35.6
294.09006	1.7
457.17035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84394	1.1
57.03444	2.9
58.00581	1.7
59.01378	100.0
60.01702	1.4
61.98831	7.3
69.03467	5.8
71.01378	64.1
71.52268	2.1
72.99307	2.6
73.02943	11.4
73.04078	1.7
75.00874	4.0
81.03458	3.0
83.01387	3.9
85.02969	7.1
87.00872	3.3
89.02444	81.0
95.01382	1.6
96.09415	1.2
97.02962	8.2
99.00875	14.0
99.04517	2.8
101.02441	18.1
103.00383	7.1
111.36990	1.3
113.02450	8.5
115.04010	5.6
115.05131	6.1
119.03474	3.4
125.02448	38.3
127.04039	1.3
130.08748	15.8
131.03491	8.9
133.76410	1.1
134.03764	3.2
143.03496	2.8
148.05301	42.0
149.04559	12.6
149.05733	2.5
152.03485	6.2
161.04539	7.8
163.03908	1.2
163.07664	13.5
173.04549	1.6
173.13448	1.1
191.05577	8.9
199.18181	2.7
233.06651	28.6
258.34698	1.3
270.21863	4.1
279.12329	1.8
293.08795	25.3
294.09125	1.4
297.10272	1.3
350.12579	1.3
397.22379	3.7
413.23901	21.2
413.28778	1.7
414.24332	1.6
457.16422	6.3
457.26773	3.1
458.26321	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	457.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55579	0.1
58.60060	0.1
69.57537	0.9
70.69235	0.1
76.37403	0.1
84.47250	0.1
99.92583	5.0
100.93364	4.9
101.93372	0.2
115.92078	100.0
116.92086	3.4
116.92868	5.2
117.92477	0.3
118.46086	0.1
122.01896	0.1
126.94858	0.2
132.92352	1.1
142.94479	0.4
149.17136	0.1
155.95091	0.3
172.95465	6.0
173.95551	0.3
245.88931	0.1
251.93674	0.1
283.26349	0.7
383.18857	0.8
399.18661	0.2
409.20493	1.2
410.20441	0.2
439.21387	0.4
457.22629	7.6
458.22708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05830	4.6
59.01381	74.0
61.98821	7.9
71.01384	62.3
72.99299	6.9
78.13749	4.3
85.02951	5.9
87.00893	4.7
89.01941	7.4
89.02454	100.0
98.20689	9.6
101.02433	18.9
105.85096	4.7
113.02444	17.0
119.03474	14.9
119.45844	4.0
119.46749	4.1
149.56937	5.4
152.38057	4.1
161.04565	9.0
179.05603	22.5
184.79872	4.8
257.13794	4.9
277.21719	68.7
278.22299	5.6
433.81332	4.6
457.33298	5.0
464.16641	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	458.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60677	0.9
53.63498	0.9
61.98833	1.7
65.25870	0.8
66.77022	0.9
68.40009	0.8
116.92828	1.2
123.69078	0.9
149.85793	0.9
167.19321	0.9
174.46075	1.0
202.15987	2.8
211.13426	1.1
347.25833	1.8
359.26141	1.2
387.28961	3.8
388.29498	1.0
414.30118	100.0
415.30484	12.1
466.35126	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.1
59.01379	100.0
59.87638	0.7
60.01737	0.8
61.98822	4.5
68.18919	0.7
70.23067	0.7
70.53070	0.6
71.01376	11.0
71.39576	0.8
73.02946	27.5
75.00867	0.9
81.03403	0.6
83.01408	2.7
83.05035	0.8
85.02946	4.8
87.00891	0.8
87.04533	0.7
88.98853	0.8
89.02435	3.3
95.01389	0.9
97.06561	0.9
97.26193	0.7
99.00886	1.3
101.02435	5.0
103.00372	47.1
104.82026	0.8
113.02456	6.7
115.00391	1.4
119.05107	1.0
120.99689	0.8
134.03741	8.4
137.02542	0.7
149.06085	8.1
153.15213	0.6
161.04582	4.0
163.04060	1.7
164.07167	0.8
164.47734	0.7
165.12843	4.7
171.10402	0.8
178.02739	0.7
181.12462	1.1
191.10825	1.3
193.05081	3.8
209.11810	7.8
221.15585	2.5
227.03654	0.7
239.16566	3.2
255.03041	3.6
281.13824	0.7
283.02612	3.2
283.15500	40.3
284.03183	1.4
284.15997	2.6
285.03976	6.1
297.07874	1.6
299.01834	1.2
325.16547	12.6
326.16891	0.8
340.42752	0.7
343.11813	6.6
355.17596	5.4
356.60724	1.1
357.10687	1.4
377.18829	0.7
379.17743	1.0
399.23874	8.1
399.28006	0.8
415.19653	6.7
417.25089	3.6
459.18466	11.9
460.19644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
58.03778	1.3
58.93718	0.9
59.01379	51.2
61.69891	0.9
61.98820	2.1
69.29910	8.2
71.01382	16.8
72.99306	1.0
73.02940	5.2
75.00893	1.8
81.03465	2.5
83.01397	4.1
85.02950	6.6
86.00130	1.8
87.00875	3.6
89.02440	4.1
95.01370	1.1
97.02946	2.2
98.20721	1.8
99.00896	2.8
99.04519	74.9
100.04809	1.4
101.02441	26.0
101.83722	1.0
102.02782	1.2
103.00361	1.5
104.28365	1.0
109.03046	1.5
109.06601	2.0
113.02451	6.2
125.02448	15.2
125.09687	1.4
134.03784	1.9
135.08134	1.3
137.06071	3.4
143.03525	2.5
149.06017	2.0
151.07632	3.4
153.09222	44.6
154.09460	1.4
161.04597	5.2
162.38728	1.1
168.43710	1.0
172.14323	1.0
179.14455	1.4
193.05028	2.8
197.34621	1.0
203.05594	1.8
225.11311	2.6
227.03630	1.4
255.02853	2.2
267.12308	1.5
283.02490	1.0
284.03134	1.7
285.03906	2.2
297.13474	2.0
315.14508	19.3
357.15527	7.6
358.15622	1.3
397.18613	3.4
459.17758	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
58.03778	1.3
58.93718	0.9
59.01379	51.2
61.69891	0.9
61.98820	2.1
69.29910	8.2
71.01382	16.8
72.99306	1.0
73.02940	5.2
75.00893	1.8
81.03465	2.5
83.01397	4.1
85.02950	6.6
86.00130	1.8
87.00875	3.6
89.02440	4.1
95.01370	1.1
97.02946	2.2
98.20721	1.8
99.00896	2.8
99.04519	74.9
100.04809	1.4
101.02441	26.0
101.83722	1.0
102.02782	1.2
103.00361	1.5
104.28365	1.0
109.03046	1.5
109.06601	2.0
113.02451	6.2
125.02448	15.2
125.09687	1.4
134.03784	1.9
135.08134	1.3
137.06071	3.4
143.03525	2.5
149.06017	2.0
151.07632	3.4
153.09222	44.6
154.09460	1.4
161.04597	5.2
162.38728	1.1
168.43710	1.0
172.14323	1.0
179.14455	1.4
193.05028	2.8
197.34621	1.0
203.05594	1.8
225.11311	2.6
227.03630	1.4
255.02853	2.2
267.12308	1.5
283.02490	1.0
284.03134	1.7
285.03906	2.2
297.13474	2.0
315.14508	19.3
357.15527	7.6
358.15622	1.3
397.18613	3.4
459.17758	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
50.39071	0.2
55.01875	0.4
55.71857	0.1
57.03456	0.4
58.00590	0.2
58.43164	0.1
59.01379	100.0
60.01708	1.0
61.01749	0.1
61.98831	0.6
66.37868	0.1
69.03472	0.2
69.14581	1.4
69.14989	0.4
71.01380	7.6
72.99322	0.4
73.02948	2.7
74.20644	0.2
75.00886	0.2
83.01397	1.7
84.58819	0.1
85.02950	2.5
86.00050	0.2
87.00874	0.6
87.04520	0.5
89.02445	2.7
95.01403	0.7
97.02946	0.3
98.19933	0.4
98.82323	0.1
99.00903	0.6
101.02441	5.5
101.06097	0.8
111.00935	0.3
113.02448	3.2
117.81688	0.2
119.03503	1.0
124.01652	0.2
125.01664	0.2
125.02436	0.9
136.07751	0.2
143.03508	0.6
149.04527	0.2
159.03009	0.3
161.04549	2.1
179.05650	0.7
184.71777	0.2
238.84164	0.2
250.19200	0.1
255.02951	0.2
255.19727	0.6
284.03381	0.2
297.20764	0.2
325.20175	0.2
351.22012	0.2
381.22845	0.9
382.23462	0.2
399.23865	3.2
400.24527	0.2
417.24915	4.1
418.25452	0.6
459.19229	0.2
459.25821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03449	0.5
59.01378	100.0
60.01712	0.7
61.98826	0.5
66.71649	0.2
69.03458	0.2
69.29784	0.4
69.30180	1.3
71.01377	6.8
73.02943	2.7
76.22230	0.2
79.22736	0.2
83.01368	1.0
85.02946	2.4
87.00884	0.5
87.04512	0.5
89.02437	3.1
95.01412	0.7
97.02946	0.3
99.00873	0.7
101.02438	5.1
101.06113	0.7
111.00867	0.3
113.02448	2.3
117.72790	0.2
119.03497	0.8
124.01687	0.3
125.02438	0.5
131.03508	0.3
143.03532	0.8
158.02377	0.2
161.04538	2.2
177.76204	0.2
179.05627	0.8
190.05180	0.3
255.19783	0.6
283.02402	0.2
297.20929	0.5
298.91071	0.2
339.13599	0.5
351.58276	0.2
375.82437	0.2
381.23001	0.9
399.23868	3.5
400.24265	0.4
417.24976	3.9
418.25275	0.3
463.63828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2904
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
52.30941	0.2
61.98812	0.3
62.58151	0.2
62.75455	0.2
71.21159	0.3
71.21494	0.3
107.05026	30.5
108.05357	0.9
116.92876	0.4
123.04594	0.3
147.08168	0.4
163.11281	100.0
164.11613	4.0
175.86031	0.2
203.43016	0.2
214.36824	0.2
280.14691	0.4
283.17023	26.2
284.17212	1.5
295.17007	15.2
296.17276	0.8
323.81342	0.3
395.01086	0.2
459.29025	87.7
460.29376	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	461.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76810	0.9
59.01385	3.9
60.99010	1.0
60.99306	14.6
61.98833	5.7
66.21285	0.7
71.01393	0.7
73.36098	0.7
77.34667	0.9
77.37235	0.9
78.95911	3.0
88.98803	100.0
100.93223	0.7
135.04561	1.0
136.07655	2.8
147.12138	0.8
152.99554	5.8
160.01801	0.8
163.03990	1.0
166.64668	0.9
198.33841	0.7
207.10271	2.3
225.11314	2.4
279.23355	4.3
280.23505	1.0
371.16101	2.7
444.80023	0.9
455.12442	0.8
461.20865	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	461.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97375	1.2
55.01878	2.1
56.90396	1.1
57.03441	2.1
59.01379	19.2
60.42168	1.2
69.54761	4.1
69.55172	4.0
71.01382	33.2
72.99306	1.5
73.02947	13.5
75.00905	1.7
81.03458	3.6
83.00945	1.7
83.01386	8.2
85.02944	13.8
89.02448	11.5
89.18516	1.2
93.03473	1.5
95.01344	3.2
95.05000	3.1
96.92033	1.3
96.96015	1.8
97.02942	2.3
98.20586	2.7
99.00877	7.3
99.04519	1.9
101.02439	28.7
111.00909	1.4
113.02449	14.9
115.03988	1.7
121.02955	1.9
123.04516	7.0
125.02419	6.0
131.03436	3.1
132.82391	1.4
143.03465	1.7
146.48898	1.4
147.30275	1.3
159.02922	3.8
161.04553	13.7
167.03487	15.6
179.03513	5.0
200.14012	1.6
209.04527	19.2
221.04610	1.9
233.06622	1.5
239.05597	25.8
239.09210	1.6
249.98997	1.5
269.10294	22.7
293.08728	2.3
299.07581	9.3
371.07742	3.6
401.09238	4.6
401.14471	100.0
402.14804	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	461.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	73.2
59.23877	0.9
71.01385	2.4
88.15742	0.8
89.02441	2.1
92.02708	2.1
93.03458	37.3
95.01392	3.0
98.20689	1.7
101.02435	2.8
108.02148	2.1
113.02465	2.4
123.04541	1.0
126.57740	0.9
136.01648	2.3
137.02440	42.5
161.04536	1.3
179.03545	4.6
179.04913	0.9
184.03157	1.0
209.04541	1.8
239.09232	100.0
239.13057	4.2
240.09592	2.9
247.53535	0.9
288.46625	0.8
293.98120	1.0
401.12494	2.6
480.79547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
56.64999	1.5
57.03451	10.0
57.06920	1.6
58.03762	2.0
59.01379	100.0
60.01711	2.0
61.98816	1.9
66.64294	1.7
69.92190	1.6
71.01375	6.3
72.99302	2.3
73.02939	4.9
85.02952	2.4
98.19884	3.5
99.04506	7.8
101.02426	6.8
103.00370	56.2
113.02422	2.1
120.11012	1.4
121.53327	1.5
131.03513	4.3
139.11278	36.9
153.09163	3.0
158.80034	1.6
163.11259	3.9
181.12317	18.0
183.10265	41.9
184.10449	2.0
199.13333	3.9
220.79448	1.8
225.11310	17.1
226.11739	1.9
243.02953	6.7
243.12363	69.4
244.12619	3.0
269.13928	16.6
271.02472	7.3
285.03949	6.5
299.01892	1.8
300.02689	2.6
314.04190	6.7
315.04962	3.6
326.85690	1.7
339.14554	4.4
357.15503	62.8
358.15778	5.4
362.03519	2.1
371.16858	2.3
375.16727	7.7
417.17496	14.5
418.18018	2.1
461.11038	12.1
461.19366	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	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.7
57.03442	1.9
58.00586	2.0
59.01379	100.0
60.01699	1.2
61.98827	10.9
66.38686	1.3
71.01383	56.4
71.52095	1.7
72.99306	3.6
73.02926	4.2
79.34662	1.3
81.03461	4.3
81.96045	1.2
83.01387	6.0
85.02963	11.2
87.00866	3.7
89.02444	72.3
93.03459	4.6
95.01383	4.3
95.05047	2.0
96.95986	2.3
97.02944	3.6
99.04494	3.8
101.02448	30.7
108.02147	1.7
109.02974	1.2
113.02457	30.2
116.92861	2.9
119.03500	37.2
119.04871	1.8
121.02950	2.1
123.04510	6.7
125.02428	4.9
131.03514	3.7
133.05089	3.5
135.04550	2.0
137.02434	8.5
137.05959	1.5
138.81619	1.2
139.04030	1.5
143.03479	8.6
149.04504	1.6
151.03979	2.3
153.05524	3.9
153.09215	3.8
161.04550	10.8
165.05586	1.7
165.09264	1.8
167.03496	20.4
177.05568	1.8
179.03494	6.7
179.05597	23.4
180.96866	1.4
197.65730	1.3
200.07605	1.4
203.10768	5.4
206.09459	3.2
209.04552	23.3
217.71063	1.4
221.11809	11.4
239.05589	25.4
239.09235	13.9
239.12860	15.3
262.35840	1.2
279.93399	1.1
281.06546	2.8
299.07703	7.6
299.11224	4.3
300.08713	1.3
351.90924	1.3
371.07584	3.0
377.85077	1.3
401.08865	4.1
401.18100	24.2
461.11340	2.4
461.16791	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	461.203
Annotation	Valerosidatum
Peak:m/z	Relative Intensity
55.01874	1.6
56.28709	0.7
57.03448	23.0
59.01380	68.8
60.05589	0.7
61.98830	6.6
71.01381	14.9
71.52715	1.4
72.99297	1.2
73.02950	8.0
73.14159	0.7
75.00895	0.8
83.01366	2.5
84.30988	0.8
85.02949	7.8
87.00875	3.2
89.02444	2.5
95.01372	2.1
97.02931	2.3
99.00867	2.5
99.04523	20.2
101.02445	17.1
103.00397	1.9
109.06549	1.3
113.02458	6.5
119.03591	1.1
119.05083	1.6
125.02462	9.2
127.38270	0.7
129.01913	0.9
134.03720	2.6
139.11281	19.0
140.11578	0.9
143.03490	2.2
149.06110	3.6
151.00380	1.0
155.10738	1.9
159.02972	1.5
161.04553	8.2
163.04089	1.0
163.11281	1.4
165.09233	1.2
179.10733	1.1
181.12344	7.4
183.10254	25.4
207.10284	2.5
207.13863	1.6
209.11864	1.8
225.11290	8.0
241.07260	3.9
243.12315	3.7
255.03056	1.3
266.70264	0.9
269.13879	13.0
270.14288	1.1
281.11777	1.1
283.02222	1.1
283.15433	2.1
284.03253	1.6
285.03885	1.5
299.05713	1.4
299.14972	2.7
317.15997	15.6
318.16177	1.0
331.47113	0.8
359.13043	0.8
359.16989	4.9
363.28217	0.8
398.91666	0.8
399.20181	1.5
443.19092	4.1
461.20190	100.0
462.20706	9.2
471.08325	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.9
55.25429	0.9
57.03447	92.5
59.01379	100.0
61.98818	1.6
67.37605	0.9
69.33095	0.8
69.33419	8.0
71.01382	22.6
72.99300	1.1
73.02947	11.0
75.00875	1.2
81.03487	1.7
83.01397	6.1
85.02950	12.7
89.02454	3.4
95.01376	1.7
99.00879	2.2
99.04518	84.2
101.02443	57.3
103.00359	1.4
113.01805	1.1
113.02464	10.7
125.02450	40.1
133.92278	0.9
143.03506	6.0
149.30580	0.9
150.88966	1.0
159.02945	1.9
161.04549	12.1
245.00351	1.1
299.15009	8.0
317.16034	55.9
318.16495	1.6
359.17047	20.7
360.17493	1.3
397.05167	1.0
399.20093	4.1
410.60843	1.1
417.21387	1.7
427.68372	1.0
461.19763	21.9
462.20523	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	462.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
61.98829	100.0
69.47469	1.6
71.01411	0.2
115.89648	0.2
152.99675	0.4
153.37338	0.2
157.16469	0.3
162.83957	0.9
165.63390	0.2
285.32809	0.2
358.33765	0.2
399.15747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69835	1.1
59.01365	1.2
61.26513	0.9
61.98830	100.0
89.38029	0.8
90.87983	0.8
122.28234	0.9
168.51506	0.9
247.98952	1.0
255.16083	1.2
257.17517	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	463.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19041	0.8
54.45623	0.7
55.06126	0.8
59.01380	9.5
61.98829	90.2
71.51727	1.0
83.01399	1.1
85.02958	1.4
88.98789	1.0
91.03983	1.1
93.03439	1.5
105.03465	1.7
107.01373	2.1
113.02459	1.6
115.00336	1.2
117.03462	2.7
121.02939	1.1
123.04506	1.0
130.80824	0.9
133.02962	10.6
135.04529	3.4
136.07617	0.7
143.05008	1.0
147.04539	0.8
149.06053	0.8
151.00365	2.6
155.05035	1.6
159.22061	0.8
165.05527	0.7
171.04507	1.3
177.01929	6.4
179.03543	1.5
183.04509	5.5
185.06050	0.9
185.87384	0.8
209.11832	2.5
211.04037	4.3
211.13399	1.0
227.03479	78.9
227.12888	2.8
228.03790	3.2
229.05121	2.0
255.02966	100.0
256.03531	11.4
257.04678	0.9
265.14423	0.9
271.02512	1.0
283.02457	79.5
284.03235	89.4
285.03998	76.3
286.04279	4.2
300.02890	1.5
301.03403	0.9
311.05664	1.5
311.22052	1.3
329.23309	3.6
427.17545	0.9
463.08585	1.8
463.21674	1.6
463.28036	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0882
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
59.01376	7.3
61.98818	1.9
65.00311	1.3
67.91578	0.4
71.01078	0.4
71.01391	5.2
71.31976	0.7
73.02950	1.8
78.39825	0.5
83.01375	1.4
85.02944	1.4
87.00857	0.7
89.02439	6.5
99.00875	1.4
101.02454	3.6
103.00367	3.5
107.01377	3.5
108.02148	1.4
109.02949	1.5
113.02444	1.2
119.03500	0.6
121.02935	2.3
124.01608	0.5
125.02397	1.0
131.03525	2.1
135.00868	1.0
145.02876	0.5
148.01671	1.7
149.03748	0.4
149.04582	4.6
150.99185	0.9
151.00362	13.3
152.00720	0.6
163.00389	3.2
164.01093	0.9
168.54240	0.5
171.04535	0.5
178.99854	6.1
183.04468	0.5
191.05606	1.6
198.03119	0.5
199.04048	0.9
201.01906	0.5
209.11678	0.8
211.04021	1.3
215.03482	0.9
216.04276	0.6
226.02681	1.6
227.03445	3.3
227.12886	1.5
243.02963	12.6
244.03314	0.7
245.04515	1.1
254.02130	2.2
255.02968	29.7
256.03305	1.5
271.02463	69.3
272.02924	5.7
273.04044	0.9
283.02344	1.6
287.14914	2.2
299.02023	1.4
300.02728	100.0
301.03476	52.9
302.03894	2.9
331.17407	0.7
343.04483	0.5
346.54407	0.5
463.08798	87.6
463.22342	6.3
464.09045	7.6
464.22556	0.6
477.61810	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1036
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
54.34849	1.3
59.01376	5.4
61.98829	12.2
63.47407	1.1
65.00337	2.0
69.84384	6.7
96.95947	1.4
107.01375	3.7
119.04989	1.2
133.02977	8.3
135.04500	1.3
136.07661	3.1
149.02513	1.2
149.06104	3.5
151.00420	8.0
165.13200	1.2
175.04002	2.7
183.04518	2.0
188.04677	1.4
199.04033	2.2
209.11836	2.6
215.03423	1.2
227.03479	4.3
247.76830	1.3
254.31148	1.3
255.02997	88.3
256.03717	37.2
257.04431	1.8
283.02481	100.0
284.03241	99.5
285.04016	77.5
286.04303	4.2
300.02750	2.1
325.79419	1.3
333.84195	1.3
433.09213	2.0
445.09174	3.7
463.10226	17.6
463.26462	1.7
464.14951	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.4
59.01378	52.3
61.41055	1.0
61.98815	4.2
70.55351	1.5
70.55648	1.4
71.01379	13.2
72.99315	1.4
73.02947	6.9
75.00871	44.4
83.01371	2.9
85.02938	3.7
87.00868	2.8
89.02451	5.5
93.03445	2.7
99.00854	2.3
100.43336	1.0
101.02456	7.8
103.00368	52.7
113.02426	4.1
120.99666	1.4
129.01913	2.7
134.03708	2.3
137.02393	3.9
137.09692	2.2
139.11301	15.2
149.06078	1.7
155.10818	5.4
157.12692	1.2
163.11253	1.8
165.12790	1.4
179.03468	1.0
181.12344	8.5
183.10233	13.9
184.42264	1.1
195.05057	1.0
199.09721	2.6
199.13336	3.7
207.13896	2.4
209.11821	26.7
210.12051	1.1
219.05019	3.9
225.11337	7.3
225.14871	4.7
227.12878	25.2
228.13069	2.1
237.06134	4.4
243.12364	14.5
253.09215	4.8
255.02953	1.6
269.13766	3.6
271.02371	2.9
285.13245	1.7
287.09802	2.1
287.14993	48.0
288.15283	3.0
300.02686	4.2
301.03296	2.2
329.15912	4.4
359.16965	4.0
401.18231	2.0
403.16061	11.3
404.16299	1.3
419.19229	2.5
445.16910	5.2
463.08981	4.9
463.18027	100.0
464.18393	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	463.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.9
59.01379	65.1
61.42774	0.3
61.98826	1.2
71.01381	4.8
73.02954	3.0
75.00889	0.8
83.01384	2.8
85.02944	1.7
85.03426	0.4
89.02451	2.2
90.86913	0.4
93.88091	0.4
99.00874	0.7
99.04510	1.1
101.02444	1.5
103.00372	77.5
109.06544	0.8
113.02444	4.4
116.36890	0.4
131.03485	0.5
149.04582	0.7
155.10764	0.5
165.12822	1.2
175.02489	0.9
189.12801	0.4
199.98723	0.4
207.13873	3.6
209.11827	9.9
218.00966	0.4
225.14954	8.1
226.15298	0.7
227.12885	35.9
228.13254	2.0
241.36717	0.4
243.02914	0.4
243.12251	0.6
251.12843	1.4
253.09254	0.5
255.02943	1.1
255.93541	0.4
269.13950	9.4
271.02353	1.4
287.14990	100.0
288.15329	5.2
293.13916	0.9
300.02667	3.3
301.03418	1.5
311.14893	1.3
329.16068	8.2
341.16028	0.7
359.13043	0.3
359.17090	8.0
383.17328	0.6
419.19232	4.9
445.17154	0.5
463.08438	1.7
463.17950	22.1
464.18118	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01871	1.9
57.03451	1.9
58.00595	4.1
59.01379	91.2
60.01709	0.8
61.98827	5.4
63.30354	0.5
69.03452	1.7
71.01382	73.9
71.52547	0.8
72.01729	1.0
72.99306	5.3
73.02946	13.4
73.56196	0.5
75.00873	32.5
76.01189	0.6
76.64875	0.4
81.03487	0.8
83.01385	5.3
85.02956	13.1
86.00093	1.1
87.00882	7.0
87.04499	0.6
89.02446	100.0
90.02762	1.5
95.01405	2.0
97.02961	2.2
99.00879	10.4
99.04527	0.8
101.02444	49.6
103.00370	6.2
107.01398	0.8
109.02959	0.6
111.00897	1.9
113.02451	17.9
115.04015	0.9
117.01917	1.4
117.03457	0.7
117.55746	0.5
119.03509	12.0
121.02892	0.7
125.02470	5.1
125.70206	0.5
126.52631	0.5
126.53594	0.5
129.01973	1.3
131.03505	40.0
131.07137	1.9
135.04573	0.6
142.76016	0.5
143.03502	3.4
145.02965	2.2
148.01671	0.7
149.04553	78.3
150.04900	1.4
151.00374	4.1
157.08687	0.7
161.04604	3.7
163.00284	1.0
177.03967	0.7
178.99776	2.5
179.05637	4.0
183.10236	0.6
191.05606	23.0
192.06021	0.5
195.05054	0.5
199.06396	1.0
199.13425	1.3
209.11792	2.8
211.04068	0.6
221.06627	0.5
226.11662	0.5
227.03534	1.2
227.12819	4.5
233.06691	1.8
243.02983	4.8
243.12416	2.6
251.07645	1.4
254.02232	1.3
255.02954	10.0
268.61691	0.7
271.02469	25.7
272.03098	1.8
293.08847	1.9
300.02740	39.7
301.03485	16.1
301.06885	1.0
302.03976	0.6
318.17075	2.0
319.13922	0.8
330.09836	1.2
331.17688	4.7
356.89337	0.5
360.10776	1.7
463.08820	32.0
463.21887	44.2
464.08636	2.8
464.22635	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
57.03451	1.9
58.00595	4.1
59.01379	91.2
60.01709	0.8
61.98827	5.4
63.30354	0.5
69.03452	1.7
71.01382	73.9
71.52547	0.8
72.01729	1.0
72.99306	5.3
73.02946	13.4
73.56196	0.5
75.00873	32.5
76.01189	0.6
76.64875	0.4
81.03487	0.8
83.01385	5.3
85.02956	13.1
86.00093	1.1
87.00882	7.0
87.04499	0.6
89.02446	100.0
90.02762	1.5
95.01405	2.0
97.02961	2.2
99.00879	10.4
99.04527	0.8
101.02444	49.6
103.00370	6.2
107.01398	0.8
109.02959	0.6
111.00897	1.9
113.02451	17.9
115.04015	0.9
117.01917	1.4
117.03457	0.7
117.55746	0.5
119.03509	12.0
121.02892	0.7
125.02470	5.1
125.70206	0.5
126.52631	0.5
126.53594	0.5
129.01973	1.3
131.03505	40.0
131.07137	1.9
135.04573	0.6
142.76016	0.5
143.03502	3.4
145.02965	2.2
148.01671	0.7
149.04553	78.3
150.04900	1.4
151.00374	4.1
157.08687	0.7
161.04604	3.7
163.00284	1.0
177.03967	0.7
178.99776	2.5
179.05637	4.0
183.10236	0.6
191.05606	23.0
192.06021	0.5
195.05054	0.5
199.06396	1.0
199.13425	1.3
209.11792	2.8
211.04068	0.6
221.06627	0.5
226.11662	0.5
227.03534	1.2
227.12819	4.5
233.06691	1.8
243.02983	4.8
243.12416	2.6
251.07645	1.4
254.02232	1.3
255.02954	10.0
268.61691	0.7
271.02469	25.7
272.03098	1.8
293.08847	1.9
300.02740	39.7
301.03485	16.1
301.06885	1.0
302.03976	0.6
318.17075	2.0
319.13922	0.8
330.09836	1.2
331.17688	4.7
356.89337	0.5
360.10776	1.7
463.08820	32.0
463.21887	44.2
464.08636	2.8
464.22635	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	464.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69817	0.5
58.00614	0.9
59.01382	18.8
60.99308	14.3
61.98831	9.9
69.56821	3.6
71.01385	8.9
72.99296	0.9
73.02953	5.8
83.01360	0.9
85.02937	3.3
87.00874	1.7
88.98806	100.0
89.02448	6.6
89.99142	1.0
95.58338	0.6
97.02955	1.0
101.02434	9.4
103.04018	4.4
113.02370	0.8
119.03513	3.1
120.01300	0.7
125.02427	3.6
130.17863	0.6
131.03499	1.4
138.05640	0.9
143.03505	2.1
144.09360	0.7
145.04941	1.0
163.06125	10.8
205.07220	3.1
205.49455	0.8
221.38116	0.7
247.08131	1.0
285.04025	1.5
307.10355	2.2
440.53091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
57.80965	0.3
59.01379	3.5
61.98830	100.0
71.01389	1.3
71.14118	0.6
73.02939	0.5
82.09046	0.3
85.02912	0.5
89.02439	1.7
99.04507	0.7
101.02441	0.8
103.00403	0.4
113.02477	0.5
119.03523	0.4
120.61137	0.4
125.02489	0.7
130.78491	0.3
149.09775	0.5
161.04565	0.4
167.10806	1.2
179.05597	0.7
191.05739	0.3
225.15019	0.4
244.63997	0.3
374.14532	1.0
402.14227	0.6
405.21457	1.4
464.17548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86514	0.3
59.01378	2.8
61.98829	100.0
63.83455	0.2
64.66455	0.3
71.01384	0.8
79.08749	0.3
97.87109	0.3
98.19958	0.8
115.00356	0.5
133.02934	0.5
134.03217	0.4
135.04526	0.6
136.07753	0.4
175.02368	0.5
177.01956	0.4
197.04900	1.0
215.85176	0.3
227.03477	2.7
228.03835	3.1
255.02968	3.6
256.03323	4.7
257.04071	0.3
283.02518	2.3
284.02951	5.9
285.03748	5.8
286.04355	4.2
309.09912	0.4
464.19537	0.5
464.31094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13761	0.2
57.01405	0.2
58.89049	0.2
59.01367	0.9
61.98830	100.0
69.24847	1.5
71.01385	0.5
74.11823	0.2
78.95948	0.3
79.74224	0.2
89.94213	0.2
98.35290	0.2
99.00892	0.2
101.02502	0.2
103.00329	0.4
134.03760	0.3
149.06125	0.3
162.03294	0.5
163.03734	0.2
175.02425	0.2
296.09958	0.2
308.09567	0.2
329.23340	0.2
330.23846	0.2
456.35281	0.2
464.32971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
58.00586	4.2
59.01379	100.0
60.99288	3.9
61.98542	1.9
61.98832	29.8
69.03455	3.9
71.01382	48.6
72.99311	3.9
73.02950	23.1
76.87671	1.2
81.03439	3.2
83.01385	4.4
85.02952	17.9
87.00868	5.3
87.04501	2.0
88.98809	30.1
89.02443	30.2
95.01393	1.3
97.02956	8.4
99.00853	1.7
101.02447	43.7
103.04008	35.5
105.01926	5.2
113.02438	4.6
115.04012	2.3
119.03509	16.5
125.02439	34.2
127.03973	3.9
128.03510	1.2
131.03476	3.6
135.67809	1.2
143.03477	6.7
145.05045	7.5
161.04507	2.1
161.11566	1.1
163.06120	64.0
164.06328	1.3
165.01933	1.1
166.02663	1.2
205.07202	9.4
210.65343	1.4
241.05046	2.5
241.10924	1.7
243.15923	2.2
247.08212	7.0
265.09229	3.1
285.04175	6.9
307.10330	30.5
308.10773	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	464.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03699	0.3
55.97357	0.3
59.01378	14.8
60.99288	0.4
61.98829	100.0
71.01382	2.0
71.52146	0.5
73.02949	0.3
85.02962	1.1
88.37084	0.3
88.98824	1.4
89.02448	0.6
95.01417	0.4
101.02463	1.2
102.90189	0.3
113.02473	1.0
121.02959	0.3
134.03781	0.9
135.04510	0.4
140.25781	0.4
149.06126	0.5
161.04637	0.4
315.18124	1.6
357.19284	0.5
374.26962	0.3
420.19571	0.8
464.30743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2288
Annotation	Ku-0063794
Peak:m/z	Relative Intensity
59.01374	2.1
61.98829	4.0
62.19916	0.2
63.00843	0.2
69.19202	1.6
69.19611	0.6
71.01379	0.7
73.02937	0.3
80.15905	0.3
89.02450	1.2
93.03445	0.4
99.00875	0.5
101.02428	0.9
103.00346	0.6
121.02923	0.6
131.03407	0.3
133.02945	3.5
134.03741	5.9
135.04524	27.0
136.04840	0.6
137.02441	3.7
139.03993	1.2
149.04538	0.7
149.86401	0.3
150.03192	0.7
150.04962	0.3
161.02441	9.3
165.05594	0.4
178.02701	1.4
179.03490	18.9
180.03745	0.5
191.05574	0.5
220.94180	0.3
222.67738	0.2
243.58051	0.3
318.17072	100.0
319.17426	7.0
381.23798	0.3
453.04459	0.3
464.22479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.98829	4.1
70.44743	0.2
71.01384	0.3
75.00864	0.5
76.01196	0.2
89.02453	0.3
93.03451	0.4
93.45721	0.2
97.03044	0.2
101.02454	0.2
102.89497	0.2
103.00392	0.6
107.05003	0.2
117.03448	0.4
121.02965	1.0
133.02942	2.8
134.03749	5.6
134.04733	0.5
135.04526	29.2
136.04880	0.6
137.02449	3.8
139.04015	1.0
150.03227	0.8
161.02435	11.0
162.02654	0.3
165.05608	0.3
173.78891	0.2
178.02731	1.7
179.03493	20.8
180.03793	0.7
191.05495	0.5
210.12189	0.3
220.28932	0.2
256.50183	0.2
259.79404	0.2
318.17078	100.0
319.17410	6.7
321.25821	0.2
333.52982	0.2
401.23849	0.2
464.22577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	26.2
59.01380	25.4
61.98828	100.0
62.74520	1.0
70.70648	1.9
71.01386	6.5
71.89217	1.0
73.02947	3.8
75.00870	2.6
85.02949	2.6
88.98792	1.9
89.02437	3.0
89.57050	1.0
96.04536	8.8
99.04516	40.4
101.02444	14.8
103.00381	1.8
113.02428	4.3
116.85113	1.0
119.03499	1.6
123.04488	2.7
125.02443	17.2
140.81798	1.0
143.03456	3.8
149.85934	1.2
161.04556	5.6
179.05585	2.2
190.14857	1.1
203.05577	3.6
221.06531	1.8
300.10861	2.3
358.14938	1.3
375.14383	2.5
401.11984	1.1
402.14087	16.2
405.21082	1.3
465.15469	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1399
Annotation	Trifochalcanoloside II
Peak:m/z	Relative Intensity
52.64322	1.4
57.03449	2.8
59.01382	40.1
61.98839	7.9
65.03957	2.7
71.01370	10.4
71.51712	1.5
72.99298	1.7
73.02940	1.9
75.00874	8.2
80.02689	5.1
85.02955	7.8
87.00882	2.6
89.02431	8.7
91.01910	4.3
99.00893	4.9
99.04504	1.8
101.02457	4.7
102.14623	1.4
103.00382	11.0
106.04250	4.7
108.02182	19.7
109.02960	16.9
113.02452	1.7
119.05042	2.3
121.02909	1.6
129.01950	8.9
134.02728	2.6
134.03737	42.4
135.00894	31.6
135.01924	1.3
139.11246	1.7
145.02977	1.9
149.06078	64.9
150.06439	1.7
151.04024	2.3
152.01152	20.2
153.01939	35.3
159.02933	1.6
173.83502	1.5
177.04016	8.9
183.10291	1.4
190.23366	1.5
195.05089	6.3
204.30423	1.8
209.11758	4.2
214.83389	1.6
225.15004	1.4
227.12868	17.9
229.14394	2.0
243.12294	6.7
243.16006	2.8
269.13907	3.2
271.02390	2.8
273.02890	1.6
283.19577	1.6
287.15015	33.4
287.18329	2.6
301.03177	2.7
302.03235	3.9
303.08734	47.9
304.09000	2.8
345.09781	1.5
432.64401	1.6
465.13913	100.0
465.19928	37.9
466.14197	8.8
466.20132	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	465.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49715	0.5
59.01366	1.4
61.98829	11.5
67.03860	0.4
71.01410	0.9
83.13332	0.4
93.03461	8.3
103.05504	0.8
106.04248	6.6
107.05046	1.2
108.02167	2.5
109.02943	1.1
113.95203	0.5
119.05023	1.3
121.02955	25.8
123.04534	1.1
131.05045	1.7
133.06596	2.4
134.03740	78.2
135.04132	2.4
136.05316	5.2
138.03191	0.8
145.02937	1.3
146.03709	0.7
147.04500	5.9
148.05307	5.9
149.06078	100.0
150.06380	3.6
157.06596	0.5
161.21518	0.5
162.06866	0.5
163.03955	1.0
164.04790	38.0
165.05496	2.2
173.06049	1.1
174.06827	0.8
175.07655	1.9
191.07188	2.9
202.06351	0.8
203.07170	0.6
210.06775	1.1
221.08174	1.1
231.10126	0.7
241.08641	0.7
242.05690	0.6
253.08707	3.0
257.38864	0.4
258.38626	0.5
267.10199	2.8
279.10275	4.6
285.11359	1.3
296.10602	2.3
297.11316	24.7
298.11755	1.2
315.12430	1.3
335.12854	1.7
353.13858	5.8
354.13837	0.6
371.14911	9.3
372.15063	0.8
379.64050	0.5
399.15930	1.2
409.51340	0.5
429.17029	13.7
430.17300	1.4
447.18109	10.0
448.18262	1.0
465.19006	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	465.1974
Annotation	Ustiloxin F
Peak:m/z	Relative Intensity
51.91557	0.5
57.03439	2.5
59.01378	37.6
61.98836	4.4
64.13805	0.5
65.61944	0.7
68.99806	0.9
69.03436	2.0
69.48148	3.9
71.01381	20.3
71.05476	0.6
72.99284	1.6
73.02926	2.1
75.00876	12.7
79.50177	0.5
83.01389	1.0
85.02947	5.1
87.00881	4.6
89.02439	2.8
97.02938	2.4
99.00883	9.4
99.04494	0.8
101.02444	2.7
103.00368	0.7
111.00858	1.6
113.02400	0.9
115.04011	0.6
129.01949	16.2
131.03430	1.3
141.01915	2.2
149.04556	0.6
155.10822	0.6
159.02945	2.1
166.05573	0.5
168.92474	0.5
177.04036	16.3
178.04358	0.6
195.05090	7.6
207.13828	1.9
209.11714	3.7
225.15010	4.4
227.12866	18.8
228.13158	1.2
237.06044	0.9
266.53119	0.6
269.13950	4.6
287.15005	25.6
288.15182	2.0
307.89188	0.6
333.19183	1.0
389.31076	0.7
423.38852	0.6
447.18698	6.7
448.18698	0.7
465.19617	100.0
466.19940	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	466.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99208	1.4
55.01867	1.7
58.00579	3.2
59.01378	100.0
61.98823	22.7
69.03460	3.9
70.40077	3.9
70.40467	2.6
71.01380	47.1
72.99287	3.3
73.02946	25.1
81.03484	3.7
83.01397	4.5
85.02947	16.7
87.00877	4.5
87.04520	2.3
89.02448	26.1
95.01368	2.6
96.96015	9.3
96.96953	2.3
97.02984	7.4
99.00893	3.4
99.92590	1.8
100.75348	1.3
101.02441	44.6
103.00383	1.5
103.04016	24.4
113.02460	5.6
113.66012	1.3
115.04026	3.5
115.92036	4.0
116.92863	3.5
119.03513	12.6
119.74503	1.6
125.02448	25.2
127.04014	2.2
130.83325	1.4
131.03525	3.2
143.03511	8.9
145.05066	5.8
149.48636	1.3
149.73949	1.5
161.04544	4.6
163.06123	51.9
187.02550	1.9
205.07169	8.6
208.05991	1.7
209.25540	1.5
247.08154	4.9
265.09109	5.4
270.69095	1.4
289.09320	2.1
307.10324	67.9
308.10583	3.8
406.17133	21.0
431.15546	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	466.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.8
55.64576	0.9
58.00587	3.0
59.01378	90.3
61.98816	3.9
62.96919	1.1
69.03451	1.2
70.84361	0.9
71.01382	24.9
72.99291	3.2
73.02562	2.0
73.02950	31.6
85.02939	12.6
87.00871	7.3
87.04510	2.7
89.02446	27.6
93.62779	0.9
101.02441	51.6
103.04008	29.9
112.53638	1.0
113.02448	1.3
115.04026	7.5
119.03494	11.0
125.02425	2.2
127.04008	2.3
131.03522	9.6
143.03503	10.6
145.05074	7.9
145.33405	0.9
163.06122	100.0
164.06395	2.3
181.11746	1.3
205.07185	18.2
235.08195	2.7
241.16064	0.9
251.86717	1.0
262.74304	1.1
265.09250	9.5
325.11475	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	466.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24549	0.7
56.38192	0.6
59.01369	2.6
61.28238	0.6
61.98823	6.0
71.01385	1.4
71.51518	0.8
74.02488	0.8
78.18663	0.6
78.23891	0.7
84.04559	0.6
93.03458	0.9
94.06615	2.1
99.00862	1.2
103.00362	1.8
104.05003	0.7
106.06651	2.2
107.03777	4.0
120.04459	0.8
121.05355	0.9
122.06123	19.1
123.06478	0.8
124.07692	4.2
132.04562	11.4
133.05359	7.0
134.03687	0.7
134.06117	7.0
138.05615	0.7
139.02768	0.7
146.06097	1.9
150.05612	1.3
152.07172	49.2
153.07503	1.6
164.03459	1.0
165.04315	8.5
166.04953	0.8
167.05840	1.0
213.06664	1.4
214.12370	2.7
215.11961	2.0
226.07494	0.9
226.12430	1.8
229.09799	1.6
235.84627	0.8
239.11980	2.5
241.09914	2.0
257.12930	20.5
258.13367	1.3
267.11337	3.1
269.12949	8.5
283.10934	1.4
297.12418	7.0
298.13251	3.9
301.11850	2.5
302.12723	2.3
330.12042	3.4
385.96661	0.7
394.21365	1.6
422.20914	6.2
438.20486	2.6
448.18817	1.1
466.19815	100.0
467.14398	1.1
467.20261	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	467.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.2
60.52206	0.7
61.98825	6.2
71.08508	1.2
78.85552	0.7
92.05061	1.9
99.92583	29.9
100.92624	1.3
109.93422	1.3
115.92068	4.3
116.92863	100.0
117.92873	4.2
118.02995	3.5
125.92878	3.2
134.02486	1.3
162.01981	6.0
174.97325	3.1
190.96799	1.8
191.97502	1.5
203.95160	4.2
217.95509	7.5
218.96289	11.8
219.96973	2.2
238.08820	0.9
282.07742	1.0
363.04156	0.8
365.15213	1.2
407.13632	2.1
419.07074	3.0
449.07947	2.4
467.09119	54.1
468.09393	6.4
490.02969	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	30.2
58.00592	1.4
59.01378	27.7
61.98820	15.9
66.59357	0.8
69.57317	1.0
71.01383	8.6
71.33636	1.0
71.52257	1.1
73.02943	2.8
85.02949	1.9
87.00853	1.1
88.40880	1.1
89.02443	5.1
95.23421	0.9
99.04517	16.5
101.02447	12.5
103.00359	1.3
119.03520	1.5
125.02459	6.7
134.03748	1.0
135.10899	1.0
145.07732	4.6
160.06427	12.9
161.04544	10.7
161.07204	41.9
163.06104	2.1
165.01877	1.5
166.62880	1.0
171.10274	18.0
172.10606	1.5
173.10825	2.6
175.08743	24.4
179.05717	1.3
185.10780	1.7
187.08788	4.7
189.06688	66.6
190.07069	3.6
191.05611	1.6
201.10268	5.9
203.08252	26.1
203.11871	6.3
204.08618	1.5
229.09805	18.7
230.04265	1.0
253.09380	2.5
277.11841	2.9
305.11432	49.8
306.11761	3.4
323.12460	100.0
324.12762	6.3
354.65924	1.2
365.13513	12.4
367.91342	1.3
405.16992	1.5
407.19144	2.5
443.05054	1.2
467.16312	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	468.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
59.01377	13.1
61.98830	58.6
73.02946	1.3
88.50854	0.8
89.68714	0.9
92.66115	0.8
98.19847	2.2
139.11279	14.2
139.13341	0.9
141.70926	0.9
161.07095	1.0
181.12314	8.9
183.10251	21.9
189.06636	1.8
199.13388	2.3
217.97089	0.9
225.11301	8.2
228.99014	1.1
243.12355	100.0
244.12738	6.9
278.76602	0.9
285.13324	1.7
306.11893	1.2
323.12399	1.6
324.12683	3.4
345.15582	1.3
405.17633	28.5
406.17905	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34391	0.2
59.01375	0.4
61.98830	100.0
65.81068	0.2
67.07430	0.3
69.50658	1.3
69.51067	0.5
89.37863	0.2
96.96011	0.4
98.19935	0.5
139.85194	0.2
307.90125	0.2
312.63474	0.2
469.24838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
61.98830	100.0
62.98531	0.3
63.99259	0.4
71.01395	0.7
72.99319	0.3
78.95863	0.3
85.05540	0.2
87.00883	0.3
89.02474	0.4
99.00909	0.6
103.00387	0.4
108.90200	1.1
110.89925	0.8
111.00888	0.6
112.98826	0.6
115.00336	0.3
117.01961	0.5
119.94702	0.6
120.01260	0.9
120.99693	0.3
128.03513	0.4
135.92142	0.5
137.91779	0.4
139.16867	0.2
145.01430	0.9
146.96609	0.5
162.93997	0.8
165.02005	0.3
171.01167	0.3
175.02579	0.3
180.94107	0.3
190.94344	0.7
192.93968	0.5
193.03513	0.6
217.96213	0.9
263.05844	0.3
293.89188	0.3
304.58188	0.2
329.92014	0.4
395.11426	0.6
431.15753	0.9
469.09991	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	469.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.2
57.03447	64.5
57.06169	0.2
58.03786	0.8
59.01376	9.0
61.98816	0.3
69.26002	2.3
71.01384	4.7
72.09937	0.2
73.02955	1.6
76.29180	0.3
81.03462	0.8
83.01384	1.2
85.02944	2.1
89.02419	0.3
98.19884	0.6
99.00867	0.8
99.04517	43.3
100.04852	0.8
101.02441	12.9
106.97311	0.3
109.45058	0.2
113.02464	2.3
120.75307	0.2
121.02967	0.6
122.03788	0.3
123.04516	0.3
125.02449	17.4
131.16985	0.3
143.03578	1.5
147.04555	1.2
148.05304	100.0
149.05624	3.1
149.07521	0.3
159.02962	0.7
161.04561	4.7
163.07645	95.8
164.07967	3.3
167.84903	0.3
193.84608	0.3
203.05573	0.9
223.38774	0.2
243.08698	0.5
247.99683	0.2
249.06256	1.2
252.88771	0.2
267.07175	0.9
271.08102	0.2
325.12857	0.6
349.82138	0.3
367.13983	0.4
469.17368	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	469.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	53.2
58.03796	0.5
59.01379	5.2
61.42318	0.3
61.98829	6.6
61.99131	0.6
62.31420	0.3
69.29812	1.6
69.30244	1.6
71.01366	1.9
73.02946	0.7
80.19114	0.4
80.33913	0.3
83.01403	0.9
85.02950	0.7
98.20631	0.6
99.04517	36.1
100.04887	0.5
101.02441	9.6
101.03114	0.6
107.15111	0.3
113.02446	0.6
125.02444	15.2
143.03470	1.0
148.05301	97.7
149.05626	3.1
161.04593	2.4
163.07645	100.0
164.07970	3.6
205.38602	0.4
207.94493	0.4
236.47437	0.4
289.41266	0.4
305.24927	0.4
316.65100	0.4
325.13010	0.5
469.16794	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04734	0.7
58.79644	1.0
59.01366	3.0
61.98832	12.2
71.01367	1.2
71.52504	1.0
71.75816	0.8
77.21561	0.9
82.57950	0.9
89.78782	0.8
94.06614	2.3
94.40572	0.8
107.03779	6.3
120.04488	1.1
122.06129	29.1
124.07687	2.5
134.06075	2.4
135.08159	7.3
136.07678	2.1
139.02730	2.1
152.07169	59.3
153.07523	1.2
160.03870	1.3
162.05571	3.0
162.83896	1.0
172.07697	1.1
174.01929	3.7
188.07182	6.0
201.07973	1.7
206.04478	0.8
216.10280	21.5
227.16621	0.9
260.12900	23.5
261.13269	1.4
304.11942	1.8
311.10449	1.7
317.17337	0.9
339.09750	4.4
393.14209	1.6
425.16818	3.6
425.20953	4.4
469.19785	100.0
470.20273	9.4
491.69736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78524	4.8
53.71192	6.2
59.01374	17.7
61.98829	49.6
63.76423	5.1
67.79482	5.1
70.01391	20.0
71.01363	11.0
72.99300	14.5
74.05058	5.1
75.00871	38.7
87.00883	6.5
89.93450	5.4
99.00862	23.4
111.00894	6.9
112.98863	7.3
117.01917	11.0
125.02514	6.6
135.02980	54.3
142.99818	22.3
146.75003	5.1
151.03958	7.2
156.00650	6.4
165.12827	19.8
166.52289	5.0
173.00922	11.7
174.01706	93.3
175.02319	9.3
178.10023	14.1
191.14319	7.4
192.11513	9.5
205.12396	5.8
211.17259	7.0
225.14767	7.8
242.17638	40.5
272.48395	5.6
279.23218	23.3
285.22162	8.2
289.21564	9.7
295.22769	14.3
301.21594	8.1
307.22784	36.7
315.19495	7.8
317.21130	16.4
319.22809	16.2
329.21167	20.8
333.20660	100.0
335.22284	16.6
347.22263	70.2
351.21716	68.6
363.21884	12.5
371.22198	9.9
373.20181	60.9
389.23248	24.6
391.21085	36.4
403.21335	35.2
415.21210	25.1
433.22287	52.1
451.23154	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59742	3.4
59.01371	5.5
61.98829	100.0
65.74136	3.4
65.83167	4.0
68.52071	4.0
69.27654	23.7
69.28073	9.9
71.01385	5.4
75.64508	3.7
88.04027	8.9
98.19849	7.3
119.05016	8.3
127.05025	4.2
128.03503	8.9
130.08760	25.2
163.03979	11.5
186.12405	6.2
214.15569	4.3
228.17102	5.6
241.11902	9.9
288.16049	22.6
470.29721	66.3
471.28528	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	471.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.4
59.55162	0.4
61.98817	0.7
70.22524	1.4
71.01381	6.9
92.27766	0.4
95.07937	0.4
97.03050	0.4
99.92573	1.0
108.15936	0.4
113.03568	0.5
115.00368	6.7
115.92078	2.6
116.92842	1.4
121.02970	0.9
124.41422	0.4
128.03523	1.6
130.08698	0.7
133.02937	0.9
134.03740	35.4
135.04042	1.2
137.02448	4.7
139.04050	2.3
149.06068	15.1
163.04063	0.7
177.01912	1.2
178.02705	25.5
179.03026	1.0
183.15027	0.4
193.05048	100.0
194.05424	3.7
204.04280	1.6
219.06602	0.9
222.88333	0.4
227.14137	1.2
235.06299	0.4
249.07646	2.3
276.98111	0.6
338.17352	0.9
355.10321	21.9
356.10739	1.1
391.00891	0.9
393.98636	0.4
443.46692	0.5
453.19684	1.1
471.26187	0.8
499.54977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
61.98838	1.0
69.77386	1.9
71.01386	0.6
88.04040	0.5
89.02431	0.5
90.85252	0.3
93.03466	0.5
99.92579	1.5
101.02355	0.3
115.92068	3.3
116.66076	0.3
116.92856	1.0
119.05027	94.7
120.05377	3.0
128.03574	0.8
134.03731	1.1
142.94484	0.3
163.04010	100.0
164.04347	3.4
180.00774	0.4
193.05150	0.4
201.33907	0.3
218.22359	0.3
230.96245	0.3
246.97218	0.4
276.98032	1.6
290.96024	0.7
308.97086	0.5
312.16748	0.3
391.01251	0.5
471.15515	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
61.98837	2.0
69.25639	1.5
69.26055	0.8
71.01389	0.5
73.02952	0.8
80.96503	0.3
89.26607	0.3
93.03437	0.4
94.02999	1.0
97.06596	0.6
101.02458	0.3
103.00372	0.3
119.05029	100.0
120.05350	2.9
123.04533	0.4
128.03563	0.7
130.08743	0.5
141.05577	0.4
145.05035	0.4
150.03238	0.6
160.38644	0.3
163.04010	69.6
164.04337	2.6
165.05576	1.1
241.11890	0.3
275.66583	0.3
307.35971	0.3
326.88876	0.3
428.25467	0.3
442.17194	0.5
454.17059	0.7
471.15033	27.9
471.28925	1.1
472.14990	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	471.1772
Annotation	Kopsimaline E
Peak:m/z	Relative Intensity
59.01373	2.3
61.98829	3.6
66.18877	0.7
70.99773	1.3
71.00115	0.9
74.40805	0.8
78.50427	0.7
102.47800	0.9
109.06544	1.0
110.47463	0.8
114.55302	0.9
120.04529	1.4
132.04572	1.5
134.06155	0.9
146.02458	3.2
147.03278	3.6
147.04346	0.7
148.04047	2.9
148.07683	1.2
150.09247	4.6
159.08147	1.7
160.04019	4.7
161.04761	1.2
171.10277	1.9
172.07620	0.9
174.01944	4.7
174.09222	0.9
175.02783	0.8
176.03511	7.5
178.08725	2.0
186.01953	1.6
186.05658	3.4
187.02737	1.0
187.06416	4.0
188.03532	6.8
189.04326	1.7
190.05099	4.9
191.02187	1.3
197.37550	0.7
199.13498	0.9
200.07129	5.6
201.05988	0.8
201.07921	3.4
202.08728	35.7
204.06738	1.5
205.03773	3.2
206.04572	25.2
207.05289	3.1
207.10258	1.5
208.06110	4.0
212.03531	2.7
213.04259	1.5
216.02986	15.4
216.06415	1.5
219.05438	1.8
220.06175	5.4
227.05853	2.1
227.12842	1.7
228.06664	3.5
230.04480	0.9
235.16974	1.5
241.20416	0.8
244.06172	2.9
245.06944	10.9
246.07661	4.9
247.04878	1.6
248.05612	8.2
259.08542	1.1
260.09308	3.5
262.01599	0.8
276.08591	1.1
277.09448	4.4
278.10425	1.3
288.15958	0.8
308.16669	0.9
325.11884	0.9
334.52512	0.8
337.11722	0.8
351.17108	4.5
357.14609	1.9
377.15063	0.9
395.16208	10.5
396.16266	0.8
398.14127	1.0
426.22952	1.7
427.18735	7.0
439.14740	4.1
444.23996	0.9
471.17715	100.0
472.18015	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	50.1
61.98835	100.0
71.01381	12.5
71.51848	6.7
73.02974	7.4
85.87977	5.8
97.22038	5.2
99.04546	6.3
100.32055	5.8
101.02455	11.6
103.00317	6.8
113.02475	8.5
130.08702	7.6
134.29791	5.9
142.41612	5.2
211.13388	27.5
325.60550	6.1
425.22864	17.6
465.20731	6.9
471.19873	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00364	0.4
57.03447	0.8
58.93500	0.3
59.01380	100.0
60.01719	0.6
61.98835	3.4
62.58240	0.3
68.99572	8.9
71.01390	1.6
73.02948	1.4
83.01391	0.6
85.02961	0.6
89.02493	1.0
99.92659	0.5
101.02444	2.3
112.98566	11.1
113.02468	0.5
115.92100	0.8
116.92890	1.3
119.03516	0.4
125.02477	0.4
130.02863	0.4
136.07693	1.0
151.15669	0.4
161.04610	1.1
171.10300	0.6
181.66177	0.4
188.50771	0.4
189.63063	0.4
266.87149	0.4
343.13885	0.6
357.14697	0.5
379.03964	0.6
414.84009	0.4
471.26144	1.7
472.18491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	24.5
61.98827	10.6
71.01388	23.0
71.13006	5.5
71.51662	3.2
87.00842	4.3
89.02448	41.2
94.02977	22.4
96.95447	3.8
96.95979	21.0
101.02430	15.1
101.55408	3.8
113.02457	19.4
119.02776	3.2
119.03475	22.0
128.03526	3.7
130.08751	7.2
131.03497	5.5
143.03499	3.6
161.04477	10.6
171.88623	3.6
179.05620	46.7
193.05118	5.5
283.75735	3.8
290.46463	3.9
323.09689	14.1
341.10883	4.4
387.88089	3.8
418.13150	10.8
472.12186	100.0
472.25916	4.5
473.12671	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	472.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87727	4.4
59.01384	26.7
61.98826	20.4
69.44976	4.1
71.01385	25.7
71.12916	11.2
73.51256	4.9
89.02447	38.0
94.02978	36.7
96.96017	32.5
101.02449	13.3
113.02458	19.1
114.81898	4.7
119.03489	21.4
121.06577	5.4
130.08791	6.6
143.03542	7.4
147.11354	5.3
161.04553	7.3
179.05630	35.0
193.05061	5.3
197.90062	5.8
222.04939	5.4
231.93016	4.7
282.98529	4.7
323.09894	21.9
326.93890	5.2
341.10944	8.3
374.93793	6.2
406.13586	5.9
418.13873	13.0
472.12186	100.0
472.27209	6.6
473.12671	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	472.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03446	1.4
58.00591	1.7
59.01379	17.1
61.98829	1.4
63.25909	0.6
68.99816	1.0
69.52866	1.6
69.53284	2.3
71.01382	10.8
71.05010	0.7
71.21667	0.6
73.02946	23.3
81.03459	1.5
83.01393	0.9
83.05058	0.6
85.02952	4.7
86.67075	0.6
87.00875	2.6
87.04514	11.8
89.02443	0.9
93.18542	0.6
94.54960	0.6
95.01392	0.9
97.02952	1.8
99.00883	1.1
99.04525	1.2
101.02441	84.0
102.02778	0.9
113.02449	1.6
113.44200	0.6
117.01920	0.6
125.02444	2.1
135.08163	3.7
137.09726	27.3
139.04004	2.2
139.11293	1.8
149.09743	0.7
151.11275	1.5
155.10782	100.0
156.11095	3.4
161.04533	1.4
167.10689	1.1
169.12340	6.9
171.87987	0.6
179.10774	1.5
181.08701	8.3
191.10704	1.0
193.12393	0.8
195.10274	1.2
199.09758	83.2
200.10240	2.9
213.11316	7.5
237.11343	0.8
241.08319	1.4
241.10814	27.1
242.11098	1.2
253.10759	1.2
255.12343	10.8
271.11877	1.8
283.11859	65.9
284.12192	3.8
285.03864	1.0
297.13556	2.8
301.12949	13.0
302.13245	0.8
325.12912	8.6
343.14185	0.7
355.14075	1.8
361.14957	4.2
385.15033	16.8
385.19684	0.6
386.15604	1.6
445.17081	6.3
472.18182	3.3
472.23914	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	473.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29284	0.4
59.01377	0.7
69.61581	0.4
71.01376	1.0
75.00867	0.7
98.20663	1.1
117.01952	0.4
121.02948	1.1
128.03519	1.1
133.02940	1.1
134.03738	38.9
135.02992	2.2
135.04050	1.1
137.02454	6.1
139.03989	1.7
149.06071	14.4
150.03230	0.9
152.03069	0.4
178.02710	28.5
179.03110	0.6
192.08038	0.4
193.05049	100.0
194.05418	3.6
266.54239	0.4
300.19321	0.4
306.07974	0.4
311.07761	1.3
338.87851	0.4
355.10309	12.2
355.14673	0.6
356.10626	0.5
473.12912	9.3
474.13779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	88.7
59.01377	23.2
59.98505	0.8
61.13902	0.8
61.98824	9.9
67.77680	0.7
69.03454	1.0
69.27210	4.9
69.27633	2.3
71.01380	16.0
72.99297	1.0
73.02947	16.2
76.90849	0.7
79.05520	0.8
81.03461	3.2
83.01393	5.2
85.02944	2.0
87.00894	1.0
89.02448	3.6
93.62895	0.8
95.01412	0.8
97.02944	0.9
97.06591	2.4
98.20670	1.5
99.04518	61.8
100.04852	1.4
101.02441	28.1
102.02785	0.9
103.00395	1.1
109.06564	1.0
109.66298	0.7
113.02433	4.9
113.06103	3.0
119.03521	1.2
120.13169	0.8
121.02910	1.5
122.03776	0.8
123.04519	12.9
125.02445	31.1
131.03484	0.9
136.07741	1.6
141.05553	3.5
143.03503	4.0
147.11795	1.3
149.04477	1.1
149.09653	1.1
153.05588	1.4
161.04546	8.5
167.10770	100.0
168.11102	2.8
171.10234	0.9
179.05615	2.6
181.12350	1.8
191.10797	5.6
203.05605	2.1
209.11818	4.7
216.74846	0.8
263.07822	2.3
305.08774	2.3
323.09787	10.3
329.15952	1.3
405.14886	0.9
430.17593	1.0
473.20816	1.9
473.27365	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21597	0.5
57.10884	0.4
59.01380	100.0
60.01707	0.9
61.98834	0.8
69.62202	0.4
70.81853	0.8
79.47083	0.4
101.53942	0.4
104.44431	0.4
120.90575	0.4
280.92325	0.4
389.76364	0.5
473.02194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03445	12.6
58.00589	1.2
59.01379	34.1
61.98829	4.5
68.99815	0.5
71.01382	20.1
71.52741	0.8
72.49703	0.5
72.99300	2.0
73.02944	2.6
74.39510	0.5
83.01382	1.6
85.02947	6.4
87.00847	0.7
87.04504	2.1
89.02451	14.1
95.01397	2.1
99.00887	0.8
99.04523	8.5
101.01802	0.9
101.02447	15.1
103.00347	0.6
113.02453	6.1
115.92126	0.9
116.92825	1.5
119.03503	4.4
121.02953	20.5
122.03264	0.5
123.69083	0.5
125.02444	7.2
129.01900	0.8
129.73230	0.5
134.06142	2.7
143.03430	0.9
157.08653	1.2
158.66550	0.5
167.10774	46.2
168.11136	1.1
179.05676	0.7
181.06563	1.7
181.44383	0.5
183.10252	1.6
225.05577	1.2
263.20129	0.7
269.17587	0.6
275.20081	2.6
283.02475	0.6
283.10919	1.2
285.03772	0.5
293.21207	12.4
294.21460	0.8
295.22760	3.9
305.08853	0.6
311.22333	3.1
313.07159	4.6
336.81314	0.6
357.06281	2.1
365.27219	0.6
401.08737	8.0
402.08850	1.2
430.17657	1.9
449.83322	0.6
455.26208	1.1
473.27557	100.0
474.16965	0.7
474.27924	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	473.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40759	0.5
55.01868	0.8
57.03450	12.9
57.15391	0.5
58.00578	1.5
59.01380	35.9
61.98828	4.3
68.99557	1.2
69.51350	3.3
71.01382	18.3
72.99303	2.4
73.02949	1.8
83.01392	2.1
85.02948	5.2
87.00849	1.0
87.04525	1.3
89.02448	15.5
95.01381	1.6
97.06563	0.6
98.20645	0.9
99.00878	0.7
99.04524	8.7
101.02441	14.3
109.06603	0.5
112.98560	1.3
113.02451	7.6
113.74987	0.5
119.03490	4.3
121.02965	12.0
122.76206	0.5
123.04507	0.6
125.02457	5.5
134.06137	1.8
143.03494	0.8
149.05965	0.5
157.08641	1.3
167.10773	43.7
168.11140	1.4
179.05481	0.6
183.10237	1.9
217.21565	0.5
225.05577	1.2
263.20132	0.8
275.20038	2.1
283.02347	0.6
283.10910	1.3
293.21246	11.9
294.21539	0.8
295.22815	4.5
305.08896	0.8
311.22256	3.4
313.07181	2.0
329.15912	0.5
340.90442	0.5
357.06055	1.5
401.08688	5.2
402.09644	0.5
430.17676	1.7
435.16156	0.6
455.26773	1.4
473.27579	100.0
474.16776	1.1
474.27856	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	473.3635
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
59.01370	0.8
61.98817	1.4
69.24790	7.0
85.06592	2.6
85.66132	0.8
87.04503	1.5
158.74313	0.8
194.18498	0.8
313.25195	1.3
329.28595	1.2
341.28641	1.4
357.31714	2.5
369.31433	1.0
373.34689	23.2
374.34848	1.2
385.34427	1.9
399.32584	8.2
400.32953	1.0
417.33740	49.1
418.34177	4.5
429.33606	10.4
430.34305	1.7
473.36362	100.0
474.36646	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	473.363
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
52.67876	1.1
52.76408	1.2
56.70288	1.2
59.01394	1.1
61.98830	2.1
69.68002	1.5
69.68418	4.5
85.06605	6.9
85.07036	1.2
87.04495	1.5
103.10627	0.9
128.38760	1.1
163.49368	1.1
279.23306	9.5
290.29059	1.2
313.25284	1.4
314.00031	1.2
329.28500	1.8
335.53973	1.3
357.31689	3.5
373.34698	23.7
374.35211	1.4
385.34827	2.6
399.32840	5.3
399.37399	1.2
417.33728	57.8
418.34076	5.8
429.33456	14.9
430.33661	1.5
473.36444	100.0
474.36713	9.6
486.74680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12632	0.2
58.78868	0.1
59.01373	1.2
61.98836	0.2
67.96127	0.2
70.73873	0.3
71.01396	0.4
77.24363	0.2
78.95906	6.4
80.05767	0.2
83.05030	0.2
85.42735	0.2
93.11982	0.2
105.09457	0.2
122.00132	0.3
127.07622	0.3
140.01201	2.7
152.99577	0.6
162.83952	0.2
196.03781	1.3
214.04880	3.7
221.66640	0.2
233.22838	0.3
259.20688	0.4
275.20151	0.4
277.21719	100.0
278.22076	6.9
457.25916	0.9
468.29401	0.2
474.26257	12.3
475.26712	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	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47209	0.3
59.01374	2.0
61.98807	1.2
70.73624	1.0
71.01389	0.6
78.95903	31.0
80.49914	0.3
96.96970	0.7
102.45704	0.3
122.00083	0.9
125.98543	0.4
140.01193	7.1
152.99612	3.3
162.83908	0.9
164.19287	0.4
171.00624	1.6
174.19124	0.3
196.03784	14.3
214.04869	2.8
233.22694	0.6
259.20609	0.6
275.20169	0.6
277.21704	100.0
278.22046	6.4
397.65079	0.4
474.26233	43.4
475.26544	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	474.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.6
61.98832	100.0
70.55907	5.3
70.56230	2.8
71.05038	2.5
76.14516	2.5
79.23180	2.2
82.41785	2.0
87.00855	3.4
99.04520	23.4
147.36208	2.3
198.55774	2.3
205.16039	2.4
206.16295	3.7
392.23428	2.6
411.31049	30.1
458.25201	2.4
474.28564	18.6
478.80188	2.7
493.11224	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	474.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47104	1.0
56.29240	1.1
58.93481	1.2
59.01382	1.4
61.98832	100.0
68.36971	1.1
70.16913	4.1
71.05013	1.5
87.00862	2.7
90.80676	0.9
99.04515	16.4
99.69678	1.0
191.50883	1.0
206.16267	1.4
349.31177	2.7
383.43542	1.1
411.31134	22.8
412.31525	2.4
458.25604	2.0
474.28622	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	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
57.03445	1.9
59.01382	40.5
69.15360	4.6
69.15781	8.9
71.01384	36.4
71.01774	2.0
72.99297	1.6
73.02945	17.4
83.01389	13.5
83.95061	1.5
85.02950	21.4
87.00884	1.6
88.98816	1.7
89.02451	3.5
95.01410	1.8
97.02968	2.4
97.07206	1.3
98.16725	1.3
99.00889	6.3
101.01800	2.5
101.02448	39.3
103.00377	2.4
103.04008	2.6
113.02438	16.9
119.03514	1.3
125.02518	2.8
143.03496	4.3
148.75040	1.4
154.10962	1.5
159.03052	1.6
161.04559	17.5
163.06125	3.2
211.07680	2.2
269.10297	49.7
270.10703	3.5
274.95947	1.6
415.16064	100.0
416.16339	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	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06846	0.6
51.78318	0.5
57.03454	3.2
59.01379	21.6
61.98806	1.9
63.57200	0.5
67.01888	0.7
67.71035	0.5
68.99825	0.7
69.03429	1.4
69.25655	2.4
69.26064	1.7
71.01379	20.3
72.99310	3.6
73.02953	4.2
75.00872	11.3
81.03436	0.7
83.01386	1.1
85.02946	17.6
87.00878	6.7
89.02443	5.6
91.04004	0.7
93.03435	1.1
95.01387	4.0
95.05034	3.6
98.20698	1.0
99.00883	6.7
99.04513	2.1
101.02418	1.8
103.00339	2.5
107.05019	1.3
107.08727	0.6
109.02944	0.6
109.06577	1.3
111.00854	0.9
113.02451	24.3
115.00385	1.4
117.01929	2.0
119.03487	1.0
121.06584	1.1
125.02465	1.1
129.01927	1.7
131.03473	1.1
145.10109	0.6
149.04568	0.8
157.01389	1.5
161.04576	1.3
161.09731	0.7
162.16191	0.5
163.11288	9.6
175.02454	2.8
177.72162	0.5
181.12361	4.7
183.10222	0.5
207.05006	0.9
207.10249	1.9
220.15121	0.6
225.11327	16.2
226.11574	0.7
226.77664	0.5
231.04922	0.5
243.12364	2.4
247.60876	0.5
249.06148	15.3
250.06535	0.5
267.07208	40.5
268.07462	0.7
283.15567	1.2
299.15070	4.8
331.17407	0.7
370.33203	0.6
391.69742	0.5
413.18619	0.5
415.15823	0.6
428.37234	0.6
457.17194	1.5
475.18149	100.0
476.18491	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	475.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90064	0.7
55.01872	1.3
55.97953	0.7
56.18163	0.9
57.03448	86.2
58.00608	1.5
59.01380	100.0
61.98825	2.5
68.60020	0.7
69.57765	4.2
69.58173	1.3
71.01383	25.9
72.99321	1.7
73.02946	9.6
80.73802	0.8
81.03448	2.0
83.01390	3.9
85.02946	3.9
87.00850	1.3
89.01938	1.4
89.02444	17.2
95.01409	1.1
98.19978	1.4
99.04518	82.7
100.04835	1.7
101.02443	31.5
107.74577	0.7
113.02455	10.3
113.06083	1.5
116.92904	1.5
119.03544	6.2
119.05019	15.1
123.04523	2.5
125.02454	31.4
131.03551	1.3
134.03738	8.1
143.03487	5.1
149.04622	2.4
149.06071	15.2
161.04546	4.9
163.04015	8.3
179.05637	4.8
183.10194	1.2
255.64983	0.9
285.04016	2.7
313.10852	18.6
313.16455	1.5
331.17618	6.9
336.10257	1.3
373.18643	6.0
383.66501	0.9
383.91956	0.7
413.21771	1.6
415.23102	1.6
417.13062	1.1
426.11328	0.9
475.15811	1.1
475.21857	11.2
475.28989	2.6
476.29382	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
57.03440	1.5
59.01380	44.3
60.01720	0.5
69.98443	0.7
69.98842	1.2
71.01380	5.4
73.02949	3.0
78.27184	0.5
78.47787	0.5
83.01359	0.7
85.02960	3.5
87.00879	2.0
87.04533	0.8
89.02473	0.6
99.00899	0.6
99.04529	0.5
101.02436	2.9
106.28954	0.4
113.02436	2.5
139.11290	21.6
140.11595	0.8
159.06621	1.1
161.04570	2.9
163.11290	1.3
165.09113	0.7
181.12321	6.6
182.12473	0.4
183.10251	26.8
184.10582	1.3
194.42703	0.4
225.11324	3.6
243.12413	2.5
249.09911	0.8
305.41714	0.6
371.48798	0.4
434.54248	0.4
457.20767	5.1
470.66473	0.5
475.21823	100.0
476.22113	8.0
476.28201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21155	0.3
53.22561	0.3
59.01379	100.0
60.01725	0.6
61.98827	4.4
65.72710	0.3
67.81331	0.3
69.40102	0.8
69.40516	1.5
71.01385	1.2
73.02938	0.4
85.02971	0.5
95.01384	0.5
98.20686	0.7
99.92603	0.9
101.02463	0.8
102.83600	0.3
113.02457	0.4
115.92079	1.8
116.92860	10.8
117.92899	0.6
121.02953	0.5
134.03665	0.4
136.07661	0.7
160.32565	0.3
161.04622	0.7
163.53743	0.4
168.89185	0.3
169.06578	0.4
195.14029	0.7
272.30878	0.3
285.04120	0.4
319.80933	0.3
355.61136	0.5
373.22263	0.5
377.61267	0.4
431.10233	0.5
475.09204	1.5
475.22504	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.27
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
59.01380	100.0
61.98822	3.8
69.32350	6.6
99.04528	5.9
137.69240	1.0
140.02101	1.0
147.07272	0.9
170.31169	0.9
182.05235	0.9
185.30978	0.9
199.99141	1.1
242.13220	0.9
243.49886	1.1
361.81561	1.1
415.24786	3.7
448.12469	0.9
475.26733	2.0
475.37747	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92907	0.2
56.84968	0.2
59.01373	0.8
61.15163	0.2
61.98827	2.3
65.65759	0.2
69.85431	0.5
69.85822	0.6
71.01379	0.3
73.02934	1.1
75.00883	0.2
84.22935	0.2
94.03027	0.4
98.20606	0.5
99.92584	10.5
100.92588	0.5
103.02280	0.2
114.93400	0.4
116.92860	100.0
117.01923	1.8
117.92861	3.8
130.20398	0.2
146.99965	0.2
151.07996	0.2
168.47044	0.2
214.86279	0.2
267.10126	0.3
391.47223	0.3
444.54813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	23.5
59.01381	56.8
60.01694	2.4
61.98831	100.0
67.36395	1.2
69.95846	2.7
69.96252	4.8
71.01392	8.2
71.93533	1.2
73.02940	4.4
75.00842	1.8
82.10075	1.2
83.01386	2.5
83.28320	1.3
85.02943	4.1
89.02430	3.0
94.02948	1.5
94.68757	1.3
98.04195	1.1
99.04526	26.2
101.02435	12.3
102.49755	1.2
103.00393	2.9
113.02425	3.9
125.02448	10.9
133.06602	1.6
139.11281	1.4
149.06055	1.8
150.03250	1.6
161.04518	3.4
165.05565	6.4
191.19920	1.5
195.02919	1.4
243.12450	1.9
260.09195	2.2
269.10202	4.2
274.17053	1.3
311.11374	4.0
351.14511	2.3
413.14404	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	476.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12608	0.2
59.01367	0.5
61.98826	0.9
62.96409	0.4
63.56083	0.2
69.84634	0.6
69.85044	0.5
78.95905	33.0
89.75484	0.2
96.96983	0.9
122.00137	1.1
140.01180	5.6
152.99590	3.9
171.00616	2.3
175.59790	0.2
196.03796	10.7
214.04872	3.1
225.17807	0.2
261.22308	0.6
279.23276	100.0
280.23611	6.8
280.26688	0.4
402.24237	0.4
476.27811	42.9
477.28061	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	476.2781
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
59.01369	0.4
61.05289	0.1
61.98824	0.2
69.30920	0.4
69.31345	0.6
78.95903	5.2
120.09743	0.1
122.00155	0.2
140.01178	2.4
152.99571	0.5
153.49432	0.1
173.03351	0.1
196.03737	1.1
214.04855	3.0
235.81300	0.1
261.22244	0.4
270.51923	0.1
279.23270	100.0
280.23611	6.7
315.42511	0.1
476.27783	12.4
477.28113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.278
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01382	0.5
61.98830	1.8
66.78042	0.4
68.25368	0.3
68.53899	0.3
70.12313	0.3
71.06415	0.3
71.06762	0.5
78.95903	100.0
80.15943	0.4
96.96961	8.3
123.52422	0.3
140.01166	0.3
146.26926	0.5
151.03021	0.4
152.99576	17.6
166.95770	0.3
171.00630	18.4
181.35262	0.4
214.04817	0.5
279.23297	0.9
402.24258	1.9
476.27798	66.0
477.28107	4.9
487.44000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.6
61.98816	2.0
64.39338	0.6
65.00318	0.9
65.29630	0.6
71.01379	2.5
71.51714	0.8
73.02943	0.9
78.33311	0.5
82.36656	0.5
85.02984	0.7
87.00850	0.7
89.02430	2.3
90.29182	0.5
93.03465	0.6
98.20610	0.6
101.02451	1.8
107.76278	0.6
110.00071	1.6
113.02439	1.3
119.03477	1.2
123.04528	1.6
133.02950	3.2
133.06578	1.0
134.03700	0.6
136.98817	0.9
143.03482	0.8
143.05026	1.8
145.02977	3.2
151.00346	0.8
155.05029	2.4
155.10727	0.7
157.02916	1.7
161.04520	1.6
163.03987	3.0
164.98309	2.8
165.05615	1.4
165.99063	5.4
171.04518	5.3
173.02420	1.8
175.02496	0.8
175.04001	0.6
178.99756	1.0
183.04536	3.7
187.03973	1.4
189.05681	0.7
199.04002	7.5
205.05086	0.9
215.03511	13.1
227.03404	3.5
243.02974	7.8
255.02991	11.4
256.03378	1.0
267.10245	0.8
271.02472	60.9
272.03024	6.0
299.01962	100.0
300.02673	23.2
301.03256	1.6
314.04312	26.6
315.05078	29.8
316.05334	1.4
417.24805	0.9
462.07974	5.9
463.08575	0.9
471.02701	0.6
477.10364	92.2
478.10754	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	477.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66394	0.5
56.66218	0.6
57.03447	0.6
59.01377	1.7
60.36133	0.5
69.22727	2.4
69.23150	2.3
73.41635	0.5
84.52327	0.5
90.40034	0.5
107.01378	1.0
109.03033	0.5
115.75231	0.5
125.02456	0.8
139.11235	0.8
151.00363	2.9
166.67439	0.6
171.04477	0.8
178.99799	0.6
183.10179	0.7
199.04001	3.6
201.01900	1.3
203.03426	0.5
215.03481	4.0
225.01874	0.5
227.03448	3.7
229.01385	1.0
242.02217	8.7
243.02965	42.8
243.12308	3.6
244.03375	1.6
255.02882	0.8
257.04544	11.8
270.01672	11.2
271.02460	43.1
272.02838	1.9
273.03806	0.6
285.04037	22.5
286.04810	6.7
287.05313	0.6
299.01959	8.9
300.02719	5.2
314.04318	48.8
315.04950	10.0
316.05426	0.6
351.07669	0.5
357.06113	1.1
373.15036	0.6
405.60699	0.5
446.81494	0.5
477.10355	100.0
478.10733	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	477.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.6
57.03446	2.9
59.01378	43.9
61.98827	10.8
69.44304	0.8
69.46964	5.7
71.01392	4.4
72.99312	1.7
73.02945	3.6
75.00885	1.9
85.02946	3.0
86.86259	0.8
89.02454	6.2
99.04504	1.2
101.02435	1.9
103.00376	5.8
113.02441	1.0
119.03372	0.8
120.99686	1.8
126.45509	0.8
129.01956	2.6
131.13065	0.8
134.03726	2.1
135.04515	2.1
137.09711	3.6
139.11285	30.0
140.11572	1.6
149.06046	2.3
150.03268	1.5
151.11232	1.1
163.11290	1.7
165.05540	3.2
175.11215	2.2
181.12343	14.0
183.10257	35.9
189.04095	1.3
195.75745	0.8
197.11855	4.2
199.13396	4.5
203.14513	0.9
219.10257	4.4
225.11285	11.9
237.11284	3.5
239.12910	4.6
241.10762	0.9
243.12361	100.0
244.12637	4.9
250.30257	0.8
267.10220	7.6
271.02307	1.0
276.65063	0.9
299.01898	1.0
315.12180	1.3
333.15091	0.9
337.47385	0.9
338.44357	1.0
373.15005	21.9
374.15271	1.7
391.16040	8.5
417.17447	1.0
417.24969	1.0
433.17078	17.1
434.17688	1.4
477.10059	2.2
477.19769	14.9
478.20261	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	477.1976
Annotation	Eremopetasitenin C2
Peak:m/z	Relative Intensity
55.01870	1.2
57.03432	0.8
58.00579	0.9
59.01379	33.7
60.06303	0.4
60.99304	4.1
61.98835	3.1
69.03458	0.8
71.01382	30.8
71.51655	0.5
72.99311	2.3
73.02942	10.5
75.00854	0.8
83.01372	2.0
83.04996	0.9
85.02957	7.3
87.00851	1.6
88.98808	30.3
89.02444	38.4
95.01368	1.9
97.02939	1.3
99.00877	16.3
101.01809	1.0
101.02442	15.8
103.00322	0.5
108.02187	0.5
113.02452	7.1
115.04005	1.1
119.03464	4.3
121.02955	0.7
121.10186	0.5
125.02466	2.6
125.03204	0.5
131.03490	4.0
134.03741	3.0
135.04530	3.2
143.03452	0.9
147.04480	1.8
148.67462	0.5
149.04520	7.0
149.06023	5.9
161.04517	2.2
165.05544	1.4
179.05621	1.1
191.05623	4.3
194.88281	0.4
209.55566	0.5
233.06549	0.8
243.02927	0.8
251.07726	0.7
285.11319	1.5
301.16440	1.0
315.12430	3.5
332.55008	0.5
345.15408	0.7
433.20627	3.5
434.21164	0.7
477.19589	100.0
478.19998	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	477.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.4
61.98820	1.7
64.96870	0.8
71.01376	3.0
71.52026	1.5
75.00866	1.9
81.02188	1.2
82.02975	2.4
83.02515	10.0
84.00906	7.3
85.02959	1.2
85.99993	0.9
89.02451	2.3
96.00896	4.9
98.02476	8.3
99.05640	5.1
101.02427	1.3
103.00350	1.5
107.05017	2.5
110.02476	9.3
112.04072	4.3
113.02467	1.2
119.03519	0.9
120.23254	0.8
121.02888	1.1
130.08740	29.1
131.05054	1.6
134.03745	12.0
135.04529	7.9
138.09259	11.0
139.08722	1.5
143.99689	0.8
146.93396	1.0
147.05977	4.5
149.06099	2.5
150.98499	0.9
154.01447	3.9
154.78447	0.8
164.42554	0.8
165.05544	3.0
169.09850	6.7
179.05650	1.2
179.11913	1.9
180.05421	2.6
187.03958	1.2
187.05476	10.5
187.10880	2.0
190.98442	0.8
205.09781	2.1
208.36659	0.8
223.10866	7.1
231.13440	2.2
238.09937	1.1
239.10645	1.7
267.09979	100.0
268.10260	4.2
284.07199	1.6
293.11490	1.2
298.49405	1.1
311.12521	10.3
315.12061	1.2
412.46426	0.9
415.16544	39.7
416.16809	2.4
437.98871	1.0
459.19177	18.2
477.10068	1.1
477.20245	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	478.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06321	0.1
59.01379	0.3
61.98828	100.0
65.01846	0.2
69.50804	0.9
90.08466	0.2
98.20808	0.2
103.38401	0.2
115.34555	0.1
128.52872	0.2
130.28860	0.1
146.76971	0.2
155.60997	0.1
156.90817	0.1
171.10323	0.2
175.87996	0.1
390.64719	0.2
477.89841	0.2
478.23499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
61.98830	100.0
67.45334	0.3
69.99693	1.0
71.01385	2.3
72.01714	0.3
73.02935	0.5
74.35165	0.2
78.13332	0.3
83.01376	0.3
85.02956	1.0
88.98815	0.4
89.02464	1.5
96.19605	0.2
98.20663	0.3
99.00871	0.4
101.02437	1.4
107.05035	0.9
108.05379	0.3
113.02449	1.2
119.03515	0.4
132.50513	0.3
134.03754	3.3
134.34703	0.2
135.03076	0.3
135.04497	3.1
136.04886	1.3
144.07806	0.4
161.04636	0.4
164.07231	0.4
165.05600	0.7
166.06084	0.4
172.10876	0.5
178.56517	0.3
179.05649	0.5
206.70424	0.3
238.09731	0.3
261.89557	0.2
267.10211	3.3
268.10590	8.0
268.13297	0.5
269.10718	0.3
316.05676	0.4
334.48996	0.3
418.17175	0.6
430.15921	2.3
448.22427	0.9
450.41095	0.3
478.17490	3.5
478.23395	1.0
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
54.79480	0.3
55.01875	0.5
57.03440	0.4
59.01384	6.9
60.01718	0.5
61.98831	100.0
64.07761	0.3
71.01383	3.7
71.52094	0.6
73.02950	1.0
83.01396	0.6
85.02953	1.9
86.03292	0.4
87.00885	0.3
87.75019	0.3
89.02466	1.1
97.02950	0.3
99.00891	0.5
99.04479	0.3
101.02425	2.0
108.77624	0.3
113.02459	1.4
119.03545	0.4
126.04156	0.3
151.86330	0.3
161.04590	1.4
168.77878	0.3
211.13518	0.5
214.10384	0.4
262.29349	0.3
285.04065	0.4
418.25363	3.4
419.26700	1.2
479.26611	0.5
479.32455	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	478.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79480	0.3
55.01875	0.5
57.03440	0.4
59.01384	6.9
60.01718	0.5
61.98831	100.0
64.07761	0.3
71.01383	3.7
71.52094	0.6
73.02950	1.0
83.01396	0.6
85.02953	1.9
86.03292	0.4
87.00885	0.3
87.75019	0.3
89.02466	1.1
97.02950	0.3
99.00891	0.5
99.04479	0.3
101.02425	2.0
108.77624	0.3
113.02459	1.4
119.03545	0.4
126.04156	0.3
151.86330	0.3
161.04590	1.4
168.77878	0.3
211.13518	0.5
214.10384	0.4
262.29349	0.3
285.04065	0.4
418.25363	3.4
419.26700	1.2
479.26611	0.5
479.32455	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	478.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45144	3.7
61.98830	100.0
64.64233	3.3
71.52131	4.4
76.53493	4.2
78.95904	13.9
80.93507	3.5
84.37793	3.8
152.99634	4.6
243.81845	3.4
293.67163	3.7
365.45660	4.3
413.65628	3.3
478.28430	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	478.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55901	1.7
54.09387	2.0
55.84618	1.9
56.14791	1.7
59.01401	2.1
61.98829	100.0
71.52048	2.2
108.76163	1.9
118.79782	1.9
136.69591	1.7
157.10956	1.8
158.26813	1.8
165.61543	2.2
189.35257	1.9
281.25015	9.7
478.29343	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	479.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.3
57.03429	1.5
58.00584	0.8
59.01383	13.5
59.32949	0.5
61.98826	6.1
71.01388	12.4
71.51939	0.6
72.99277	1.5
73.02950	6.0
75.00856	0.7
83.01392	4.2
83.03798	0.5
85.02954	8.9
86.00090	1.3
87.00852	1.6
88.98814	4.0
89.02449	3.8
92.02754	0.5
93.03462	0.9
95.01384	1.2
95.05004	0.5
96.95969	1.0
99.00883	1.4
101.01803	0.8
101.02442	12.3
103.00358	1.1
106.04224	1.4
107.05030	6.8
108.04597	0.7
111.00863	1.4
113.02444	5.3
117.03439	1.1
119.03455	1.0
119.04981	1.2
120.55467	0.6
121.02956	0.6
123.04494	0.6
125.02458	0.9
127.07591	0.8
129.05533	0.5
130.08696	0.8
134.02736	0.9
134.03746	18.5
135.04544	18.3
151.07610	3.1
153.07802	0.6
161.04518	0.6
165.05565	3.0
171.10240	2.0
207.10217	0.8
225.11310	1.7
240.11600	0.6
241.12321	0.8
253.09326	0.9
269.11819	30.2
270.12115	1.7
283.09619	0.7
283.13254	0.6
311.12750	0.6
313.12848	1.8
345.14569	1.0
349.18704	1.1
431.17093	100.0
432.17432	8.0
461.19888	0.7
469.41309	0.6
479.19196	29.6
479.30359	1.2
480.19601	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76023	0.7
55.49056	0.7
57.03431	1.3
59.01377	48.5
61.98824	4.0
69.03466	1.0
69.50818	5.1
69.51229	1.5
69.99393	0.7
71.01379	7.2
71.05010	1.2
73.02941	2.9
73.04070	0.9
83.01350	0.8
85.02946	0.8
87.00883	0.9
87.85968	0.8
88.04022	2.1
89.02431	1.9
97.02934	2.0
97.06581	0.8
99.00877	7.4
99.04508	2.2
101.02442	11.5
103.00369	3.6
108.76381	0.8
113.02437	2.1
115.00346	4.0
117.52884	0.7
119.03474	0.8
125.09687	3.1
126.02813	0.8
129.10309	1.6
132.03004	1.8
134.03691	1.3
137.09743	0.9
146.06117	0.9
155.10748	1.6
163.11240	3.1
164.07172	1.6
165.12944	1.0
171.10298	1.4
181.12338	8.6
186.12421	4.5
199.09688	2.0
199.13356	5.6
203.43033	0.8
207.10246	13.4
207.13829	2.3
209.11751	4.2
224.12752	0.7
225.11334	21.9
225.14754	4.2
227.12878	27.2
228.13229	1.0
243.12357	17.2
243.43852	0.8
244.12653	1.2
253.09297	1.0
260.98965	0.8
269.14001	5.5
287.14993	100.0
288.15173	5.4
315.18167	2.4
329.16098	0.8
333.19299	2.3
363.20334	2.7
364.18793	4.5
389.17868	3.5
461.20441	1.1
479.21371	66.0
480.21835	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	479.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77224	0.5
55.01881	0.6
57.03464	0.8
59.01379	6.4
60.99294	1.2
61.50316	0.5
61.98832	2.6
69.15101	0.5
69.87032	2.5
71.01379	4.2
71.05019	1.9
78.64786	0.6
83.01399	0.8
83.05022	0.6
85.02949	1.2
87.00871	0.7
88.98799	8.5
89.02456	4.5
97.02969	2.6
97.06593	1.4
98.12582	0.6
99.00885	12.4
101.02414	4.5
103.00385	0.6
109.06571	1.1
110.03693	0.9
111.68311	0.5
113.02430	2.1
115.00399	0.7
115.74258	0.6
119.03471	1.1
125.02277	0.5
125.09717	4.3
134.85800	0.6
135.08174	0.7
149.06070	1.1
155.10799	0.8
161.04546	1.2
163.11278	6.2
167.03606	0.9
171.10283	2.4
181.12332	14.1
199.13397	10.0
201.27887	0.6
207.10260	21.6
207.12216	1.1
208.10620	1.1
225.11305	35.3
226.11533	0.8
243.12349	23.5
244.12743	0.7
253.09320	3.4
287.15024	2.3
353.65012	0.5
364.18591	1.0
461.20364	1.3
479.21304	100.0
480.21747	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	479.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51440	1.0
55.87559	0.9
59.01378	11.6
60.99313	1.1
61.98828	23.1
71.01379	13.9
71.05026	11.5
71.50947	1.4
74.17590	1.0
79.74217	1.1
83.01374	1.1
85.02946	2.2
87.00868	3.0
88.04040	88.8
88.98803	2.2
89.02428	7.6
90.11553	1.1
96.96006	3.4
96.96977	1.0
99.04529	3.1
101.02444	4.0
103.00351	1.9
104.36072	1.0
113.02420	1.8
113.03611	1.2
115.00403	1.6
116.07170	1.0
119.03497	3.1
119.05006	1.2
120.99644	1.1
125.02465	1.9
129.05560	2.0
146.08221	36.0
149.00197	1.0
149.04498	1.2
161.04547	2.0
179.05626	5.1
187.07903	2.4
218.10323	100.0
219.10611	2.9
221.06584	1.6
271.10834	2.2
323.09882	3.2
393.11975	1.5
479.17487	4.1
501.23663	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35108	0.3
54.86651	0.3
55.01873	0.4
59.01379	4.8
61.98827	100.0
67.01894	2.0
69.32959	2.4
71.01380	3.8
72.56731	0.3
73.02937	1.7
81.01958	0.3
82.02562	0.3
82.02966	2.1
83.01392	1.5
83.05048	0.4
85.02953	1.4
87.00913	0.4
89.02444	0.7
94.02983	27.3
95.01387	0.5
95.03311	0.4
97.02989	0.7
99.00855	0.4
99.04568	0.3
101.02451	2.0
107.05055	0.4
109.06680	0.3
112.04064	0.9
113.02455	1.2
122.06110	0.6
123.08215	0.4
133.06665	0.3
135.11751	2.1
149.06126	0.4
149.46519	0.3
149.76901	0.3
152.07150	1.5
159.11783	0.5
161.04561	1.0
161.09705	2.3
179.10774	10.2
180.11157	0.4
185.09680	0.4
203.10706	0.7
219.17564	0.4
219.95290	0.3
220.06229	0.9
221.11713	0.4
223.09778	1.6
227.03496	0.5
229.08813	0.4
231.10344	0.7
245.11887	0.5
247.09811	1.0
255.02959	1.5
256.08224	0.7
265.10858	0.5
283.02505	0.9
284.03311	0.6
285.03967	2.4
286.04242	0.4
289.10818	0.7
307.11917	1.1
323.15143	0.5
336.10330	0.7
367.13925	5.1
368.14880	0.4
417.16711	1.9
420.26608	0.6
450.17532	4.0
462.17804	4.4
463.18243	0.4
479.32349	1.4
480.18713	4.6
480.32648	2.4
481.19321	0.8
489.10580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.4
58.01611	0.2
58.78117	0.3
59.01382	2.7
61.98830	100.0
62.80412	0.2
65.59496	0.2
65.89643	0.2
67.01894	1.9
69.03474	0.4
71.01392	1.7
71.22211	0.3
73.02947	1.0
82.02997	0.9
83.01379	3.4
83.05037	0.5
85.02950	1.3
87.00906	0.3
87.04541	0.5
89.02440	0.7
93.03444	0.3
94.02988	26.3
95.03345	0.4
97.02968	0.6
101.02444	0.9
106.90325	0.2
107.05042	0.6
109.02962	0.6
109.06585	0.4
111.00864	0.4
111.04507	0.5
112.04067	0.9
113.02485	0.8
119.03450	0.4
121.06579	0.3
125.02429	0.3
134.33488	0.2
135.11798	1.1
136.12320	0.3
143.08630	0.3
149.06104	0.6
150.03192	0.6
159.11804	0.8
161.09717	2.4
163.07652	0.3
165.05563	1.2
179.10789	4.3
185.09796	0.6
196.34396	0.3
201.12959	0.5
203.10748	1.4
205.08658	0.5
209.59596	0.3
223.09700	1.9
229.08768	0.5
231.10231	0.5
245.11852	0.5
247.09746	0.7
255.02943	0.8
265.10846	0.5
283.02466	1.0
285.04077	1.2
286.04376	0.4
289.10898	0.9
307.11847	0.9
367.13956	3.3
421.20984	1.0
450.17676	5.4
462.11328	0.4
462.17737	5.8
463.18042	0.8
480.18750	10.9
481.18787	1.7
489.10666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98830	100.0
69.35320	1.5
71.01395	0.5
89.02452	0.3
95.95582	0.2
101.02474	0.4
113.02433	0.3
114.87965	0.2
149.04436	0.3
331.88306	0.2
420.25934	0.4
421.21045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19683	0.2
59.01380	2.9
61.98830	100.0
63.69219	0.3
69.33295	2.0
71.01394	1.8
73.02956	0.4
73.27956	0.2
75.91173	0.3
77.25703	0.3
78.74226	0.3
83.01418	0.3
85.02978	0.5
89.02460	1.0
98.19848	0.5
101.02453	0.8
112.65113	0.2
113.02431	0.6
125.02456	0.3
131.03491	0.3
155.10828	0.3
161.04585	0.3
255.02887	0.3
262.99680	0.3
268.80542	0.3
283.02606	0.7
285.04251	0.5
289.16687	0.5
347.55081	0.3
355.13242	0.4
385.14117	1.0
421.20709	3.3
481.17517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96614	0.2
59.01374	2.9
61.98830	100.0
63.40546	0.2
67.01881	0.5
69.20876	2.0
71.01385	1.2
73.02966	0.8
82.03009	0.5
83.01397	0.3
85.02942	0.5
89.02471	0.3
94.02986	8.6
94.90006	0.2
98.19872	0.5
101.02465	0.7
106.11060	0.3
110.08450	0.3
112.97514	0.3
113.02426	0.5
131.85558	0.3
135.11841	0.6
139.11362	0.4
152.07205	0.4
161.09784	0.4
179.10776	3.8
223.09711	0.4
225.49388	0.3
231.09908	0.3
255.03075	0.8
256.03314	0.4
283.02591	0.8
284.03119	0.5
285.04007	1.9
323.14841	0.3
367.14169	1.2
378.13156	0.6
417.16678	0.4
420.26910	1.0
450.17853	0.9
462.17740	0.9
470.68668	0.3
480.18652	1.1
480.32706	1.2
481.18356	0.3
489.11005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00361	1.3
61.98835	11.9
71.51682	2.4
104.85548	1.4
106.06627	1.6
126.97947	1.5
134.06128	17.8
136.07692	10.3
153.86884	1.6
180.39140	1.3
188.03528	2.0
198.05663	1.8
204.02911	2.3
212.03453	1.5
213.04123	2.2
226.05069	4.5
238.05132	4.6
239.05759	4.1
240.02982	1.6
254.04703	2.6
254.14742	1.5
287.08328	2.1
289.13504	4.8
301.09888	1.4
302.10571	2.0
312.90491	1.4
315.07632	4.0
317.12842	6.0
319.10721	1.8
329.09210	3.2
330.10004	3.5
333.08563	1.5
343.07159	5.8
344.07837	2.1
345.09027	1.8
345.12445	14.1
347.10522	2.2
358.09473	6.4
362.12753	3.9
373.11905	54.0
374.12268	7.3
377.14896	1.7
389.11224	3.2
390.12109	6.7
405.14532	16.3
437.16675	1.6
449.13602	10.2
481.16077	100.0
482.16348	9.0
486.44208	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	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15136	0.6
60.29096	0.7
69.23077	5.0
69.23495	1.2
78.95903	38.2
96.96976	2.8
98.19843	1.2
150.98021	1.0
152.99593	56.6
171.00647	17.0
227.03299	2.8
236.99101	0.8
245.04308	100.0
246.04691	1.4
253.21722	63.8
254.22047	4.6
286.83887	0.7
481.25720	55.3
482.26266	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	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46241	0.8
62.64310	0.8
65.16757	0.9
70.28402	2.9
70.28750	0.8
78.95902	40.3
79.62769	0.8
96.96964	4.0
98.19898	1.1
123.75613	0.8
152.99580	57.8
157.54007	0.9
171.00627	17.1
227.03217	4.8
245.04292	100.0
246.04507	1.3
253.21719	66.9
254.22037	3.6
335.24960	1.0
335.33194	0.8
481.25702	57.1
482.26227	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	481.2803
Annotation	Pierisformoside B
Peak:m/z	Relative Intensity
55.01875	0.8
56.88280	0.6
57.03440	1.7
57.45742	0.5
59.01387	7.9
61.98830	7.8
71.01385	10.1
71.52469	0.8
72.99311	0.9
73.02956	4.8
83.01376	2.5
83.21450	0.7
85.02953	7.1
87.00835	0.7
95.01391	1.2
99.00883	1.8
99.04482	1.1
101.02441	9.3
113.02462	5.1
116.92872	8.0
217.16022	3.5
237.18631	0.7
301.21680	0.8
319.22766	19.4
320.23230	0.8
357.45078	0.7
459.95090	0.6
463.26764	0.7
481.28040	100.0
482.28387	8.9
491.92926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25068	0.4
59.01375	1.7
60.99012	0.8
60.99309	12.5
61.98824	3.6
69.88204	1.2
69.88596	0.7
71.01376	1.0
72.99323	0.9
87.00883	1.2
88.00400	1.1
88.98808	100.0
89.02441	9.6
89.02946	0.7
89.99137	0.6
90.01971	0.5
96.96018	1.8
99.00899	0.7
100.90933	0.4
101.02458	0.6
114.66294	0.4
128.03548	0.6
132.65001	0.4
149.04568	1.4
191.05614	0.5
196.65210	0.4
321.11118	0.6
451.29074	0.4
483.16269	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77861	0.2
56.33141	0.2
59.01363	0.4
59.78201	0.2
61.98829	100.0
94.02988	1.2
94.57581	0.2
98.19893	0.7
225.11406	0.3
229.24695	0.3
252.73055	0.2
282.14713	0.3
344.58566	0.3
395.41470	0.2
482.20471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.8
57.03437	8.8
58.00575	3.6
59.01379	89.1
61.98829	41.3
67.26378	2.9
69.29346	10.1
69.29770	11.0
71.01014	5.1
71.01381	72.7
73.02955	22.7
81.92241	2.4
83.01392	16.3
83.05040	3.3
85.02950	31.1
87.00878	2.9
89.02447	32.4
89.46117	2.6
95.01391	6.6
98.20650	4.9
99.00885	8.4
99.04520	4.1
101.02448	63.8
112.98576	4.4
113.02461	36.6
119.03484	11.7
125.02453	4.7
131.03496	3.2
139.11276	6.7
143.03462	5.4
159.02963	6.1
161.04559	21.5
162.75706	2.6
179.05609	9.4
181.12386	6.8
183.10234	13.0
187.64505	3.2
192.27995	2.5
204.33577	2.5
225.11218	9.0
243.12421	21.0
259.06265	3.3
291.18130	90.4
345.15466	4.5
385.14120	3.7
405.17136	2.9
409.78189	2.8
423.22379	100.0
424.22626	5.7
483.19727	15.5
483.29739	27.8
484.21872	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03451	2.5
58.00594	1.1
59.01384	37.3
61.98838	2.2
63.36288	0.9
67.02735	0.8
69.15728	8.1
69.16135	1.6
71.01383	34.5
71.11149	0.9
72.99313	1.4
73.02950	11.0
83.01375	5.0
85.02946	13.8
87.00871	2.9
89.02447	11.9
95.01380	2.4
97.02935	1.3
98.20716	2.0
99.00887	3.4
101.02444	30.7
111.00879	3.1
113.02460	9.7
125.02461	1.6
131.03505	8.7
143.03537	1.8
149.04546	2.3
159.02977	3.4
160.77148	1.0
161.04543	7.5
170.76552	1.0
291.18109	21.1
308.46573	0.8
312.93707	1.0
423.22363	100.0
424.22742	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	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	8.3
82.97890	0.3
95.94767	0.3
96.96953	0.8
124.31153	0.3
150.97986	0.4
152.99588	15.2
166.64766	0.3
171.00653	1.2
179.03448	0.3
227.03227	2.8
245.04259	1.0
248.32372	0.3
255.23276	100.0
256.23618	5.4
257.77661	0.4
305.98987	0.3
363.24527	0.4
483.27283	35.0
484.27533	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	484.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.06868	0.1
62.98527	0.1
63.40218	0.1
69.50881	0.8
88.18229	0.1
106.38011	0.1
136.62172	0.1
161.48309	0.1
169.31242	0.1
187.98848	0.1
208.11624	0.1
237.08644	0.1
260.57373	0.1
264.38492	0.1
306.01297	0.1
344.48322	0.2
484.21628	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20954	0.2
59.01383	0.4
61.98829	100.0
69.17712	2.0
71.01406	0.3
85.02934	0.3
101.02428	0.5
121.39970	0.2
135.00642	0.2
156.65492	0.2
159.86263	0.2
172.32414	0.2
177.03772	0.2
360.11124	0.2
366.91339	0.2
415.98834	0.3
424.22488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57917	21.3
61.98826	76.6
69.09753	21.8
69.93088	100.0
82.50864	20.1
84.30746	23.3
86.38462	25.2
96.98871	20.9
98.76326	25.7
105.06769	21.9
119.05014	29.9
302.17606	71.0
329.73465	27.0
389.51276	25.9
484.31314	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25766	12.9
57.03453	20.5
59.01381	32.8
61.24778	12.6
61.98823	100.0
68.10930	13.6
69.58223	67.9
78.07600	12.5
82.95457	13.8
99.04507	30.6
123.25884	14.5
126.44975	13.4
147.36671	14.7
161.09703	18.8
179.10826	73.0
218.16235	13.9
302.17688	25.6
472.72464	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	484.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	37.7
59.01367	34.1
59.12005	9.1
61.98835	100.0
68.52800	7.4
70.48670	26.5
71.01376	14.2
75.00856	8.6
99.04527	19.3
101.02460	20.4
122.17362	8.3
125.02438	22.9
131.31017	7.4
161.09700	14.7
179.10754	85.9
255.02914	25.3
256.03305	13.1
267.07202	25.7
284.03232	11.9
285.03741	16.2
286.04114	11.0
327.31976	9.1
447.09167	20.8
448.09723	32.8
450.51303	10.5
484.21082	13.4
485.16580	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	484.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65670	0.7
57.03424	1.8
59.01379	48.5
71.01372	2.9
71.15038	1.4
71.43451	0.6
73.02939	6.2
74.02454	0.6
74.45767	0.6
80.44492	0.7
83.01394	4.4
85.02943	1.9
87.04493	1.7
96.04544	3.7
99.00896	0.9
101.02445	4.0
113.02448	1.5
125.02412	0.8
139.11287	21.3
143.04550	0.8
160.00735	0.8
165.09248	1.0
169.12315	2.7
179.10777	1.9
181.12334	7.6
182.10762	0.7
183.10248	32.8
184.10587	0.8
195.13922	0.9
197.11856	1.7
199.13374	1.4
207.10207	0.9
225.11308	17.0
239.12813	0.8
243.12373	25.9
244.12706	0.9
249.11301	0.7
258.92252	0.6
267.12296	1.4
280.02664	0.6
285.13348	6.9
286.13751	0.9
291.12402	1.3
306.07596	0.7
315.14554	1.3
327.14322	2.2
345.15500	5.8
387.16653	1.3
404.93979	0.7
405.17606	2.0
430.73834	0.7
442.89035	0.7
466.20752	3.0
484.21844	100.0
485.22266	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47431	0.8
59.01374	2.4
61.98828	100.0
70.33816	0.8
71.51771	0.8
71.52118	0.9
80.91698	0.8
90.00140	0.7
115.57787	0.7
116.92847	1.0
144.96941	0.7
156.05096	0.8
183.02805	0.8
203.96039	1.3
233.15486	1.3
403.24985	2.8
421.25891	11.1
422.26257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00617	0.6
58.42793	0.5
59.01379	10.8
59.01657	0.8
61.98829	6.2
70.47118	0.4
71.01385	2.0
71.72548	0.5
72.99323	0.6
75.00890	1.4
82.57407	0.4
85.02979	1.4
90.73947	0.4
93.03439	0.6
96.95992	1.7
96.96971	1.0
103.00372	100.0
104.00707	0.6
110.72572	0.4
113.02436	1.2
115.92065	0.8
116.84075	0.5
116.92857	2.6
117.03461	0.9
119.05029	35.2
120.05363	0.8
133.06570	2.0
145.02963	5.3
161.06085	3.8
163.04013	31.9
164.04259	1.3
175.02519	0.9
191.07271	0.5
205.05040	5.2
217.05130	0.6
235.06079	6.9
249.06099	0.7
267.07004	1.4
295.07623	0.6
302.69110	0.4
309.09830	3.3
325.62039	0.5
485.12546	15.2
485.27295	0.7
486.12845	1.3
499.11584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69600	0.3
61.98829	100.0
68.29034	0.3
69.41452	0.9
69.41853	1.4
75.83944	0.4
260.55176	0.3
303.00134	0.4
314.53311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
59.01379	43.8
60.01736	0.4
61.39371	0.3
61.98827	6.7
63.95796	0.3
68.01421	0.6
69.32091	2.0
71.01379	4.4
73.02939	2.9
83.01405	1.9
85.02942	1.7
87.04517	0.8
89.02439	0.4
95.01373	0.3
97.06593	0.4
98.19851	0.6
99.00883	0.4
99.04518	0.6
101.02457	2.4
103.00387	0.4
110.02458	0.3
113.02448	1.2
137.09767	0.4
139.11287	14.1
151.11263	0.3
161.04556	1.6
163.11263	0.9
163.81691	0.3
165.09201	0.9
169.12341	1.3
179.10767	0.9
181.12340	5.8
183.10252	20.4
184.10602	1.1
197.11836	0.9
207.10300	0.5
224.95427	0.3
225.11330	7.1
229.57732	0.3
231.10170	0.3
243.12383	4.4
247.80873	0.3
267.12439	0.5
272.63525	0.3
285.13351	0.9
327.14505	1.2
416.02679	0.3
468.22287	4.3
469.22693	0.4
486.23416	100.0
487.23737	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	487.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	9.0
59.01383	98.8
59.28450	5.6
61.98826	100.0
62.01202	6.6
65.31688	6.5
67.27098	7.2
68.99587	8.0
70.66045	13.1
71.01379	77.4
74.78036	6.4
85.02954	23.2
85.62829	6.4
85.87811	7.8
87.00880	28.7
89.02456	46.7
95.05076	7.3
97.02953	20.7
101.02396	9.5
109.06593	9.9
112.98598	9.6
113.02449	19.2
114.93400	24.4
125.09759	18.0
129.01930	20.6
136.00975	7.5
137.09692	7.5
139.68388	7.5
139.93309	6.7
148.04149	6.9
161.67581	7.1
163.05077	6.6
163.11322	15.0
165.12883	11.7
171.10262	38.7
181.12404	10.4
209.11963	7.4
220.29436	8.2
225.11360	14.4
227.12866	9.7
291.19699	65.0
309.20737	69.6
333.90549	7.2
487.32684	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	487.2551
Annotation	MR 387B
Peak:m/z	Relative Intensity
50.86546	0.2
55.01890	0.3
57.03448	0.9
58.00564	0.7
59.01382	62.5
60.01702	0.4
61.65768	0.3
61.98829	1.8
62.54108	0.2
70.90001	0.6
71.01382	5.1
72.99311	0.5
73.02948	1.0
85.02955	1.7
87.00936	0.2
87.04515	0.6
89.02445	4.4
95.01398	0.5
95.05047	0.3
101.02456	2.5
109.06633	0.4
113.02441	2.0
119.03499	0.8
136.07654	1.3
137.09729	0.4
139.11290	14.3
140.11647	0.4
151.11140	0.3
163.11272	1.0
165.09198	1.1
169.12331	0.9
179.10744	0.7
181.12331	5.8
183.10249	16.5
184.10574	0.5
188.07172	0.3
195.13907	0.8
197.11810	0.6
207.10388	0.4
225.11320	6.4
226.11462	0.3
227.68280	0.2
243.12357	2.2
285.13531	0.4
295.10797	0.6
307.10693	0.5
343.28220	0.3
444.19211	2.3
469.24344	4.5
470.25073	0.5
487.25470	100.0
488.18274	0.7
488.25729	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	489.1031
Annotation	CHEBI:69513
Peak:m/z	Relative Intensity
50.06528	0.3
59.01381	1.4
61.98811	0.7
63.02388	0.3
65.00348	0.4
71.51623	0.4
83.01405	0.3
85.14523	0.2
93.03441	0.3
101.73225	0.2
107.01404	0.6
108.80031	0.2
115.92106	0.3
125.02459	0.6
134.86266	0.3
151.00351	2.1
161.02420	0.4
163.00325	0.3
165.01984	0.4
174.03285	0.3
178.99876	0.7
183.04533	1.2
185.02556	0.2
211.04008	1.9
227.03484	69.8
228.03847	3.2
229.05063	0.5
242.05701	0.3
243.02974	0.4
248.40193	0.2
255.02971	87.3
256.03604	9.9
257.04282	0.7
269.04446	0.4
279.99197	0.3
283.06180	0.3
284.03247	54.5
285.03958	11.8
286.04462	0.5
327.05164	1.8
447.22247	0.5
489.10352	100.0
490.10632	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	489.1036
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
52.47083	0.3
63.02373	0.3
63.30777	0.3
65.00318	0.4
68.99755	0.3
69.65278	1.0
69.65693	0.8
75.17451	0.3
77.69479	0.3
83.01365	0.4
90.04842	0.3
91.01861	0.3
93.03443	0.9
107.01382	1.4
109.02953	0.6
132.02177	1.1
135.00912	1.4
137.02374	0.4
143.05042	0.5
151.00371	2.3
151.23283	0.3
157.06494	0.3
159.04469	0.9
163.00366	2.1
165.01945	0.4
167.05016	0.6
169.06560	0.8
171.04518	0.4
173.02403	0.3
183.04422	0.9
185.02470	0.7
185.06053	1.3
187.03944	1.6
189.05608	0.7
190.99820	0.4
195.04483	0.8
196.05241	0.4
197.06012	0.5
199.03990	0.9
200.04855	0.6
201.05481	0.3
202.63133	0.3
203.72240	0.3
211.03964	1.4
213.01808	0.4
213.05513	1.3
223.04085	0.4
227.03484	27.6
228.03912	1.9
229.05054	8.2
230.05354	0.4
239.03479	1.8
241.04993	1.0
243.02946	0.5
255.02983	61.3
256.03595	6.9
257.04559	5.7
267.02927	1.0
283.02362	0.8
284.03253	100.0
285.04001	77.5
286.04330	3.6
327.04990	0.6
354.35544	0.4
429.07925	1.0
489.10379	28.9
490.10794	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	489.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
57.03442	0.9
59.01384	13.1
64.13950	0.4
65.00333	0.6
68.99816	0.7
69.03468	0.6
69.29906	3.3
71.01380	5.7
72.99308	0.4
73.02944	14.5
78.19180	0.4
83.01398	3.0
85.02957	2.1
87.00879	0.9
87.04523	1.0
89.02441	0.5
93.03481	0.6
97.02948	0.5
98.79362	0.4
100.01696	0.4
101.02444	70.6
102.02786	0.8
103.00381	8.0
105.58015	0.4
107.01393	1.3
113.02456	0.9
115.04019	1.2
119.05021	2.0
119.86343	0.4
125.02461	4.7
134.03745	1.4
135.00919	0.7
139.11287	5.4
143.03433	2.8
149.06065	1.6
151.00330	2.2
163.00345	1.2
163.04025	0.9
163.11316	1.0
167.10724	0.5
169.12379	0.9
174.03278	0.4
175.04013	0.5
179.10751	1.1
181.12379	2.5
183.04477	1.6
183.10272	10.1
185.06035	1.0
187.04002	1.1
195.04477	0.6
199.03860	0.5
211.04002	2.3
225.11305	7.5
227.03493	71.7
228.03821	2.8
229.05043	2.5
238.97124	0.4
239.03474	0.8
239.12927	1.0
240.04265	0.4
243.12350	9.1
243.14665	0.8
249.11188	0.5
253.14651	0.4
255.02980	93.9
256.03580	11.0
257.04626	2.5
267.02957	0.4
267.12280	1.4
281.13910	1.7
284.03253	74.7
285.04001	36.3
285.13446	1.7
286.04382	1.9
291.12451	0.8
291.15988	0.5
305.13782	0.5
309.13422	1.8
313.10861	0.7
327.05319	1.3
327.14490	7.4
327.18161	2.2
333.13559	0.6
345.15390	0.5
369.15576	0.7
387.16556	1.0
393.15833	0.5
429.08295	0.9
429.17545	4.7
489.10379	100.0
489.22034	3.6
490.10764	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	489.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67815	0.2
51.66421	0.2
57.03448	1.7
59.01377	4.2
61.98829	8.8
63.02392	0.4
65.00314	0.6
68.93526	0.2
69.21785	2.0
69.22187	0.5
73.02946	1.2
83.01386	0.9
85.02959	0.4
89.02448	0.4
91.01923	0.3
93.03457	0.9
98.19831	0.5
99.04511	2.1
101.02439	3.1
107.01406	2.0
108.02165	0.3
109.02934	0.5
113.02428	0.4
125.02438	1.4
132.02158	1.1
135.00883	1.9
143.05058	0.5
145.03050	0.2
151.00351	1.7
153.01933	0.3
154.04271	0.3
157.06612	0.5
159.04530	1.2
163.00369	1.9
164.01102	0.6
165.01938	0.4
167.05042	0.7
169.06525	0.6
171.04507	0.8
183.04509	0.8
183.10191	0.3
185.02408	0.3
185.06058	2.3
187.04010	2.3
188.04411	0.3
189.05513	0.8
190.99773	0.4
195.04462	0.4
197.06070	0.9
199.03937	1.1
200.04739	0.4
201.05521	0.4
211.04004	2.8
212.04427	0.2
213.05617	1.7
214.02614	0.2
225.11279	0.3
227.03485	29.0
228.03949	1.6
229.05042	10.0
230.05548	0.3
238.02654	0.2
239.03497	1.5
240.04253	0.7
241.05049	1.0
243.12524	0.5
255.02974	59.4
256.03558	4.9
257.04550	5.6
258.04971	0.4
267.02887	0.9
283.02457	1.3
284.03250	73.6
285.04010	100.0
286.04370	5.2
303.83386	0.2
327.18091	0.8
427.15790	1.1
429.08371	2.0
447.09531	0.5
489.10355	38.6
490.10797	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	489.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57241	0.3
57.03449	2.0
59.01381	17.6
61.98827	3.3
63.02359	0.5
65.00323	0.8
73.02937	1.3
83.01379	1.1
83.41639	0.4
85.02942	1.2
89.02441	2.2
93.03457	1.6
94.40431	0.5
95.01440	0.4
96.96005	0.4
99.04500	2.1
101.02451	3.3
102.98562	0.8
107.01361	2.1
113.02431	1.1
115.83834	0.4
116.92802	0.5
121.06602	0.8
125.02472	1.1
130.08713	0.7
132.02173	1.2
135.00848	1.7
138.05733	0.4
139.11346	0.5
143.05025	0.6
151.00334	2.7
156.05630	0.5
159.04510	0.8
161.04495	0.7
163.00377	1.8
164.01100	0.4
167.04968	0.5
169.06548	0.8
171.04576	0.8
175.04013	0.6
183.04506	1.2
183.10255	0.6
185.06111	1.7
187.03979	1.9
189.05505	0.5
195.04495	0.5
199.03932	1.1
200.04900	0.5
201.05504	0.5
209.11960	0.5
211.04008	3.3
211.13377	0.8
213.05565	1.5
226.02820	0.5
227.03496	48.1
228.03854	2.4
229.05034	7.1
229.40511	0.5
239.03494	1.8
240.04289	0.7
241.05037	0.7
243.12352	1.0
255.02989	86.2
256.03540	8.0
257.04572	3.9
267.02869	0.9
267.16043	0.9
269.04422	1.1
283.02451	3.4
284.03253	100.0
285.04022	80.4
286.04425	3.9
309.20636	0.8
327.04977	0.5
327.18094	0.5
345.19214	0.5
424.46429	0.5
429.08304	5.4
489.10394	68.4
489.26910	19.9
490.10727	6.0
490.27664	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76200	0.7
57.03440	0.9
59.01378	40.3
61.98830	30.8
62.95597	0.8
66.81190	1.0
69.78368	4.0
70.19762	0.8
71.01379	17.0
72.99310	2.0
73.02948	3.9
78.27273	0.7
83.01387	4.9
85.02938	2.8
87.00873	29.6
96.95979	1.0
99.00911	1.6
101.02435	1.9
103.00288	1.2
105.45488	0.7
111.00871	6.8
113.02446	2.9
115.00368	49.9
121.02959	1.6
123.57368	0.8
127.00324	0.9
129.13571	0.7
139.00371	15.5
146.06102	1.5
157.01410	25.0
161.04587	1.0
165.21475	0.8
167.76073	0.8
174.05525	1.5
175.02469	100.0
176.02824	1.7
189.12851	1.1
203.05592	2.2
207.05493	1.3
207.13818	3.2
208.05389	0.9
225.14919	2.8
226.12308	3.8
227.03445	1.8
255.03047	3.4
269.12936	10.2
284.03238	3.0
285.04089	1.6
299.13895	1.4
313.11975	9.4
314.12320	0.9
327.12787	2.6
341.11520	1.6
341.64539	0.8
343.12863	2.7
371.12408	7.8
399.15430	1.3
409.14069	8.9
427.15054	12.1
429.13129	4.3
430.13678	0.8
453.12988	1.2
471.14063	1.5
489.10123	3.3
489.15308	3.5
497.91245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
57.03447	1.1
58.00582	0.6
59.01379	11.8
61.98803	0.1
68.99814	1.2
69.03453	0.7
69.03763	0.1
69.27666	0.9
71.01379	7.1
71.05013	0.2
72.02177	0.2
72.99309	0.3
73.02943	20.0
74.03294	0.2
75.00863	0.3
81.03448	0.4
83.01385	3.5
83.05048	0.2
85.02946	3.0
87.00872	1.2
87.04527	1.4
89.02448	0.5
93.03442	0.2
95.01408	0.2
95.05030	0.2
96.42324	0.1
97.02959	1.3
97.06570	0.3
98.20646	0.3
99.00893	0.3
99.04510	0.3
101.02441	100.0
102.02776	1.3
103.00356	1.0
107.01367	0.2
109.06569	0.6
111.00845	0.2
111.04546	0.2
111.08172	0.2
113.02448	1.9
115.04015	2.0
117.01936	0.2
119.03476	0.2
119.05021	0.4
123.04536	0.3
125.02446	6.4
125.06096	0.3
127.07624	0.3
129.01952	0.1
135.00922	0.1
135.08031	0.1
137.06093	0.3
137.09662	0.3
139.04013	0.1
139.07645	0.3
139.11295	5.9
140.11710	0.2
141.12880	0.2
143.03506	4.7
144.03766	0.2
149.06041	0.2
149.09691	0.2
151.00340	0.3
151.11307	0.5
155.03528	0.1
161.04559	0.1
161.09650	0.2
163.00371	0.2
163.11295	1.1
164.04840	0.1
165.05460	0.2
165.09180	0.4
167.10754	0.4
169.12355	1.3
175.02534	0.1
177.12836	0.2
179.10814	0.9
181.12331	3.4
182.12529	0.2
183.10262	12.0
184.10587	0.5
185.06137	0.1
187.03995	0.2
195.13945	0.8
197.11819	0.9
199.13348	0.2
201.05441	0.1
203.14392	0.2
205.12389	0.2
207.10280	0.5
211.03995	0.2
221.11732	0.2
223.13332	0.3
225.11316	10.4
226.11656	0.3
227.03477	3.1
228.03891	0.2
229.05049	0.7
231.10199	0.2
237.11174	0.2
239.12868	1.3
243.12355	13.9
244.12682	0.4
247.13300	0.1
249.11333	0.8
253.14429	0.9
255.02971	5.6
255.12111	0.2
256.03555	0.5
257.04507	0.4
257.14075	0.2
263.12830	0.5
265.18097	0.2
267.12332	2.0
267.15979	0.9
279.12317	0.3
281.13943	2.9
283.02533	0.1
284.03262	7.2
285.04031	7.8
285.13367	2.6
286.04453	0.5
286.13565	0.2
291.12357	1.8
297.13403	0.4
299.15012	0.8
300.15588	0.1
305.13919	0.3
309.13501	1.9
309.16934	0.3
310.13907	0.1
315.14429	0.7
323.14938	0.5
327.14383	9.7
327.18091	6.1
328.14783	0.4
328.18466	0.4
333.13327	0.5
341.15930	0.2
345.15549	1.8
351.14401	0.4
363.14468	0.1
369.15408	1.5
369.19302	0.2
383.17017	0.4
387.16602	0.9
393.15643	0.6
399.16574	1.0
405.17859	0.5
411.07318	0.1
411.16583	0.5
429.17563	5.8
430.17859	0.4
453.17645	0.2
471.18530	0.3
489.10275	4.4
489.19650	6.1
489.26556	0.6
490.10428	0.3
490.20065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88996	1.0
57.03455	5.9
58.00609	1.5
59.01381	70.5
61.98814	4.1
63.25060	0.9
64.35918	1.0
69.03423	1.5
70.14120	2.0
71.00993	1.5
71.01378	9.3
73.02945	7.7
83.01373	5.6
85.02944	3.8
87.04463	1.3
87.55211	1.0
89.02445	5.0
99.04498	1.2
101.02444	25.3
107.01386	1.9
108.03279	0.9
109.02938	1.2
111.43515	1.0
113.02454	3.8
115.00392	1.1
119.03523	2.1
119.05030	1.2
125.02425	5.9
132.02177	1.3
133.01447	1.6
133.02928	1.6
135.00877	1.5
135.04494	1.6
139.11301	26.1
151.00354	3.9
159.04489	1.1
163.00363	2.9
165.09338	1.2
169.12367	1.5
179.03513	2.7
181.12328	15.7
183.04520	1.8
183.10248	38.9
187.03943	1.1
199.13417	2.4
211.03966	2.8
213.05457	1.5
214.10709	1.0
225.11316	17.0
227.03499	43.1
227.05751	2.2
228.04005	2.0
229.05049	7.8
239.03580	1.4
241.05077	1.2
243.12364	100.0
244.12752	3.8
250.39638	1.1
255.02979	80.7
256.03503	5.7
257.04486	5.6
257.13898	2.5
267.16025	1.4
284.03259	98.9
285.04041	90.7
285.10547	2.3
285.13406	30.4
286.04480	4.8
309.11234	1.9
309.20789	2.0
315.14417	7.3
327.05048	1.4
327.14676	2.2
345.15515	41.4
346.15903	2.2
387.16541	3.3
405.17645	77.7
406.17871	5.2
429.08231	1.5
471.26135	2.3
489.10397	70.7
489.19910	3.9
489.26959	45.5
490.10614	5.4
490.27374	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21048	0.7
54.23775	0.7
57.03447	1.2
58.00581	1.8
59.01380	100.0
60.01730	0.9
61.98837	2.3
65.17467	0.8
69.03465	0.9
69.39542	0.7
69.52386	0.9
69.52719	4.3
71.01041	0.5
71.01381	27.9
72.99329	3.2
73.02947	30.6
75.00881	0.9
77.77644	0.7
81.01754	0.7
83.01398	2.0
85.02948	13.1
85.48005	0.8
87.00882	7.5
87.04525	2.9
89.02445	25.5
97.02936	1.4
99.04517	1.3
101.02445	53.1
103.00391	1.5
103.04015	23.2
113.02414	3.6
115.04031	8.4
116.04372	0.8
119.03497	10.4
125.02470	3.2
127.04065	2.4
131.03508	10.2
133.69072	0.7
143.03506	12.2
144.61865	0.8
145.05087	7.9
149.06241	0.8
154.79440	0.8
161.04630	1.2
163.06133	89.2
164.06438	1.1
205.07164	23.6
227.03578	3.3
235.08223	1.1
255.02979	4.3
265.09268	8.1
284.03345	3.0
285.04080	1.9
325.11456	1.4
405.21100	1.0
427.92065	0.8
429.17578	14.5
429.22934	1.0
447.22531	2.7
489.10239	5.4
489.23782	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96786	0.1
55.01863	0.3
57.03447	1.2
58.00587	0.7
59.01379	12.0
61.98815	0.1
68.99812	1.2
69.03457	0.8
69.14676	1.1
71.01382	7.6
71.05009	0.2
72.99309	0.4
73.02945	20.8
74.03265	0.1
75.00873	0.3
81.03449	0.5
83.01386	3.1
83.05051	0.1
85.02946	3.0
86.03767	0.1
87.00871	1.2
87.04507	1.4
89.02445	0.5
94.03674	0.1
95.01394	0.2
95.05032	0.2
97.02957	1.4
97.06587	0.2
99.00878	0.3
99.04503	0.2
100.01698	0.2
101.02442	100.0
102.02766	1.4
103.00368	0.6
107.01410	0.2
107.04972	0.1
109.02970	0.1
109.06581	0.4
111.04498	0.2
111.08152	0.3
112.79414	0.1
113.02449	1.8
115.04013	2.1
117.01894	0.2
119.03516	0.1
121.06721	0.1
123.04533	0.3
125.02448	6.7
125.06052	0.2
127.07625	0.4
131.03539	0.1
132.02141	0.1
132.24535	0.1
133.06604	0.1
135.00850	0.2
137.06041	0.3
137.09686	0.2
139.07648	0.3
139.11293	5.6
140.11656	0.1
143.03503	4.8
149.06039	0.2
149.09726	0.2
151.00362	0.2
151.07594	0.1
151.11285	0.6
151.59146	0.1
155.03450	0.1
161.04552	0.1
161.09700	0.2
163.00327	0.2
163.11281	1.0
165.09163	0.5
167.03528	0.1
167.10756	0.4
169.12347	1.0
177.12816	0.2
179.10765	0.8
181.12344	3.4
183.10249	11.8
184.10535	0.4
185.06093	0.1
187.03992	0.2
195.13869	0.7
197.11813	0.8
199.13297	0.3
203.14368	0.2
205.12328	0.2
207.10257	0.5
211.03928	0.3
211.55635	0.1
213.05597	0.1
219.13811	0.2
221.11902	0.2
223.13428	0.2
225.11314	11.1
226.11664	0.5
227.03484	3.0
228.03864	0.2
229.05057	0.6
231.10223	0.3
237.11270	0.2
239.03439	0.1
239.12891	1.6
241.04988	0.1
243.12357	14.8
244.12671	0.3
247.13347	0.1
249.11288	0.8
250.11317	0.1
253.10649	0.2
253.14386	1.0
255.02992	6.0
255.12294	0.2
256.03503	0.5
257.04504	0.4
257.13919	0.1
263.12979	0.5
265.17889	0.2
267.12350	2.4
267.15952	1.0
279.12329	0.5
281.13940	3.4
282.14294	0.2
283.02393	0.2
284.03253	6.7
285.04022	7.5
285.13425	3.1
286.04413	0.2
286.13647	0.2
291.12332	1.7
297.13345	0.4
299.14890	0.6
305.13907	0.2
309.13461	2.3
309.16965	0.2
315.14563	0.7
323.14911	0.5
327.14404	9.7
327.18109	5.9
328.14691	0.6
328.18497	0.3
333.13367	0.5
336.10318	0.3
341.16150	0.2
345.15533	2.1
351.14450	0.4
353.16028	0.2
363.14392	0.2
369.15488	1.7
369.19547	0.3
381.15381	0.2
383.16995	0.3
387.16571	1.0
392.12250	0.1
393.15750	0.5
399.16553	1.0
405.17569	0.5
411.16675	0.6
429.17581	5.9
430.17975	0.5
458.15015	0.1
471.18536	0.4
478.08176	0.1
489.10352	4.5
489.19702	6.5
489.25705	0.3
490.10526	0.4
490.20023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02556	0.5
57.03443	1.7
59.01380	78.4
59.41635	0.5
60.01712	0.5
61.98837	1.6
71.00634	0.7
71.01382	5.5
72.99311	0.8
73.02952	5.6
83.01397	1.8
85.02976	1.9
87.04510	0.7
87.34232	0.5
89.02448	3.2
93.03472	0.6
97.02908	0.5
99.00895	0.5
99.04522	0.8
101.02447	12.6
103.00375	1.5
107.01405	1.3
113.02451	1.2
115.04027	0.5
117.03503	0.6
119.03491	1.3
125.02459	0.9
132.02167	0.7
135.00876	0.5
139.11292	14.4
143.03506	0.5
151.00354	1.8
163.00372	0.9
163.11301	1.0
165.09207	0.7
167.04988	0.5
169.12308	0.9
171.04459	0.5
179.10780	1.1
181.12372	5.9
183.04491	1.6
183.10257	17.1
184.10661	0.7
185.06094	1.0
187.03935	1.2
195.13963	0.6
197.11749	0.5
199.04024	0.5
207.10229	0.6
211.04047	1.8
213.05638	1.1
218.65581	0.5
225.11314	7.3
227.03496	75.2
228.03819	4.2
229.04993	2.8
239.03505	0.8
243.12340	5.6
255.02985	98.1
256.03629	11.0
257.04590	2.2
267.12415	0.9
267.16116	0.7
269.04797	0.6
283.02484	0.6
283.10809	0.5
284.03265	72.1
285.04010	40.6
285.13354	1.0
286.04395	1.6
309.13788	0.6
327.05164	0.9
327.14511	1.8
327.18164	2.4
345.15512	0.8
369.15103	0.6
405.17578	0.7
418.63879	0.5
429.08139	1.1
471.22513	3.2
489.10434	100.0
489.23328	81.2
490.10870	8.1
490.23712	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	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70022	1.2
55.01873	1.5
57.03448	100.0
58.99592	1.1
59.01379	97.8
61.98832	8.7
63.62909	0.9
64.27661	0.9
66.48145	0.9
69.15498	10.4
71.01382	29.5
73.02946	11.5
75.00879	1.6
81.03479	2.2
83.01376	5.9
85.02948	15.6
87.00876	2.4
89.02450	6.6
95.01400	1.8
99.00856	3.1
99.04520	92.4
101.02445	43.2
107.01369	1.5
113.02452	13.9
116.92841	2.2
119.03464	2.0
121.02936	1.1
124.29358	1.2
125.02450	36.9
135.04547	1.2
136.07690	1.8
143.03488	5.5
151.00368	1.9
159.02980	3.8
161.04564	11.4
163.00368	1.3
165.12845	5.8
171.10297	1.5
185.06076	1.9
187.04015	1.9
211.03975	1.6
227.03491	29.0
228.03918	1.4
229.05042	5.2
239.03410	1.6
255.02975	47.1
256.03534	5.5
257.04562	2.9
284.03259	56.7
285.04022	57.7
286.04379	3.2
315.16064	1.5
327.18188	11.7
327.21658	1.6
345.19174	54.2
346.19476	2.9
373.25928	5.9
387.20236	18.9
397.26218	1.0
399.15958	1.2
427.23349	3.2
445.18915	3.0
489.10388	50.0
489.22455	20.6
490.10815	4.6
490.23920	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57776	0.2
58.77312	0.2
59.01385	0.2
61.98810	0.2
71.50982	0.2
71.51393	0.3
71.94337	0.2
78.95903	12.6
79.95740	2.6
95.98510	0.2
96.96014	100.0
96.96961	27.2
98.02510	0.3
106.55797	0.3
113.02461	0.2
135.15540	0.2
149.04561	0.2
149.06134	0.2
165.01900	0.7
177.87651	0.2
180.56209	0.2
196.97523	0.2
228.03833	0.3
255.02921	0.3
256.03336	0.3
285.03635	0.3
490.11002	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10976	1.1
57.03447	22.0
59.01375	18.6
61.98830	100.0
71.01385	4.6
72.26275	0.8
73.02940	5.3
83.01381	1.4
85.02935	1.6
89.02447	4.7
91.56889	0.8
96.84148	0.8
99.04516	24.2
101.02463	11.9
107.01424	1.0
113.02439	3.9
119.03522	1.7
121.52164	0.7
123.04527	3.4
125.02441	9.0
135.00909	1.0
143.03491	1.4
149.04430	1.2
151.00372	1.1
157.06546	0.9
161.04514	4.0
163.00343	1.0
164.00864	1.2
179.05644	1.0
185.06009	1.2
187.03900	1.7
188.04321	1.5
191.37488	0.9
211.03900	1.4
221.06781	1.2
227.03497	11.4
228.03819	12.0
229.05104	2.6
230.05330	4.9
255.02980	17.1
255.05431	0.6
256.03326	29.1
257.04221	2.9
258.04910	3.6
267.03003	0.9
284.03241	21.0
285.03787	66.5
286.04376	52.8
287.04617	2.5
325.12881	1.5
340.11859	0.9
427.16019	11.1
430.08673	1.4
490.10751	29.8
491.11172	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	491.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.6
58.00573	1.6
59.01109	3.2
59.01381	31.3
61.98829	4.3
69.03412	2.1
69.20600	9.0
69.21022	6.0
71.01380	40.4
72.99294	2.9
73.02518	2.0
73.02945	39.0
75.00878	2.3
81.03477	8.7
83.01391	15.0
83.38434	1.8
85.02954	6.8
87.00892	2.0
88.98787	4.8
89.02451	22.8
95.01345	1.8
95.05040	8.9
96.95999	3.1
97.02940	5.3
99.00879	2.9
99.04533	5.3
100.54217	1.6
101.02433	21.5
101.07183	1.7
105.03446	2.7
109.02918	2.2
113.02466	12.6
116.92843	11.0
117.03482	2.7
119.03516	7.9
119.04990	6.9
121.02937	5.6
123.04526	100.0
125.02462	11.7
127.04015	2.7
127.05082	2.1
128.03534	1.6
135.04533	4.7
137.02426	2.3
137.06139	2.0
139.04001	2.7
143.03477	2.7
145.05066	44.9
145.06136	2.0
147.04543	2.1
149.02423	3.2
151.03989	3.2
153.05569	2.8
161.04524	5.0
162.70183	1.8
163.04037	4.9
165.05556	3.6
167.03499	21.4
178.04823	1.8
179.03506	4.6
179.05606	6.3
209.04546	69.4
221.04559	1.9
227.03455	8.8
228.03734	4.8
229.03992	6.3
237.09332	1.6
239.05576	40.9
255.02934	6.3
255.12347	1.9
256.03351	5.3
257.03580	7.5
269.06631	5.2
281.08432	2.3
284.03046	2.1
285.03580	3.6
286.03748	5.8
307.10333	98.7
308.10645	3.0
311.07742	1.9
327.10165	4.7
329.08878	6.7
371.07755	13.0
401.08688	10.7
431.10193	3.2
431.15411	14.9
447.90900	1.8
473.16849	4.1
491.10934	26.3
491.17444	3.0
492.11340	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	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96806	1.7
57.03443	2.8
59.01379	39.8
61.98826	24.4
64.29173	1.5
64.81510	1.5
69.42187	4.7
69.42616	6.8
71.01381	15.8
71.75642	1.6
73.02942	6.0
78.85950	1.7
83.01392	3.6
85.02962	6.6
89.02446	3.9
99.00887	1.9
101.02444	9.2
113.02444	3.8
115.00382	2.0
119.03532	2.0
119.05046	8.2
121.02943	3.3
126.69780	1.7
135.04495	4.3
163.03996	6.8
167.58138	1.7
175.02463	2.5
209.04550	2.5
210.51057	1.7
225.14951	6.3
237.09366	2.2
239.05766	2.5
263.20682	1.8
271.06195	3.0
281.08014	2.0
283.79785	1.9
293.07870	1.9
329.10327	6.0
363.98087	1.8
387.20221	14.5
405.21286	100.0
406.21609	6.1
447.22348	55.6
447.28760	2.3
448.22620	5.0
481.97656	1.9
491.16327	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74596	2.2
59.01386	27.9
61.98829	12.3
67.88504	1.9
69.43040	5.7
69.43469	8.5
71.01387	10.1
73.02948	4.1
75.00880	7.4
76.34245	1.8
81.02377	1.7
83.01432	3.2
85.02956	6.9
88.98831	2.8
89.02454	2.4
99.00932	2.0
100.00271	1.9
101.02430	10.8
103.00384	1.9
107.05015	2.8
113.02438	3.9
119.05036	36.8
119.80579	1.8
125.02436	1.8
128.03542	4.5
134.03755	4.6
135.04523	24.1
145.06128	1.9
161.04634	2.5
163.03966	22.3
163.05046	1.9
165.05565	2.1
167.03395	3.8
209.04532	3.9
209.09677	2.1
225.14922	4.8
237.09192	6.7
239.05592	3.9
243.16032	2.9
251.45541	2.0
281.08154	9.8
309.90039	1.8
323.09439	2.0
324.13950	2.0
329.10257	32.8
362.20840	1.8
380.20770	2.2
387.20071	15.6
388.20749	2.1
405.21277	100.0
406.21548	8.1
447.22308	56.9
448.22318	3.9
474.92960	2.4
491.16064	8.6
491.25198	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	491.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	13.1
59.01380	99.7
61.98830	36.9
70.28189	3.8
71.01369	11.0
72.00847	1.4
73.02939	3.6
75.00875	1.8
83.01379	2.5
85.02946	9.0
89.02442	5.4
98.95892	1.5
99.04536	3.2
101.02451	11.3
107.01352	2.0
113.02435	5.0
119.05028	2.6
121.02995	1.6
122.70943	1.6
125.02388	2.5
135.04475	1.5
139.11287	31.0
144.33879	1.4
149.06038	3.5
150.03157	2.2
151.11215	1.7
152.07135	3.1
161.04613	2.5
163.11221	2.3
165.05559	5.0
165.09195	1.9
169.12363	2.4
171.07260	1.5
179.10641	2.8
181.12337	20.7
183.10254	42.6
187.03951	1.4
197.11784	1.9
199.13379	4.9
211.03999	2.1
225.11322	29.6
227.03499	17.3
228.03912	12.8
229.03922	12.8
230.05334	3.3
231.05620	2.3
243.12366	100.0
244.12758	5.9
255.02974	29.5
256.03296	28.3
257.03531	34.5
257.13959	2.1
258.04498	2.9
259.04996	3.2
267.12482	2.0
268.47537	1.7
284.03256	33.2
285.03809	57.4
285.13431	28.6
286.04028	69.6
286.13748	2.2
287.04587	49.7
306.97266	1.6
314.11499	3.9
315.14417	7.8
329.10461	1.8
329.13922	16.3
345.15515	35.1
347.17090	3.2
405.17679	18.2
431.08740	2.7
431.22900	3.5
448.18979	1.9
456.21268	2.9
473.19833	2.3
491.10846	66.5
491.21298	72.7
491.28619	3.5
492.11075	2.3
492.21609	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	492.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.5
60.91342	0.3
61.98826	1.3
62.63728	0.3
65.17797	0.3
66.18568	0.2
68.60548	0.3
69.42915	1.9
71.01380	0.6
73.02951	1.4
73.33981	0.3
77.44527	0.2
81.63003	0.2
83.01401	0.3
87.00900	0.4
89.02432	0.5
95.05647	0.3
96.00900	0.4
96.96018	0.4
99.00900	0.5
99.92584	10.2
101.02427	0.4
103.00404	0.6
114.93414	0.5
115.91998	0.3
116.92862	100.0
117.01958	2.5
117.92879	3.2
121.02894	0.3
123.04546	0.6
127.23828	0.3
128.03529	0.3
130.08707	0.5
134.12968	0.2
135.04526	0.4
137.06064	0.3
138.65428	0.3
151.04021	0.5
163.04068	0.3
167.03542	0.6
179.03395	0.3
180.33813	0.3
203.05157	0.3
209.04617	1.4
210.04889	0.7
233.04631	0.3
239.05649	0.4
240.05977	0.4
251.86081	0.3
256.02640	0.3
267.09869	1.2
372.09802	0.4
406.14160	0.4
431.15973	0.4
475.19031	0.5
492.11343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.9
61.98830	100.0
67.13178	0.3
71.01392	1.4
73.02969	0.6
73.53769	0.3
80.94830	0.3
85.02942	0.3
85.49245	0.3
89.02473	0.4
101.02449	1.2
103.00385	1.0
110.70189	0.4
110.70919	0.4
113.02463	0.5
161.04314	0.4
163.04033	0.4
168.97072	0.3
230.86957	0.3
305.90762	0.3
317.21103	0.4
373.22314	1.0
391.23343	1.6
433.24533	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	493.1504
Annotation	Princepin
Peak:m/z	Relative Intensity
53.38667	0.6
59.01381	3.1
61.98832	5.1
65.03963	0.6
71.52261	0.7
71.92622	0.5
80.38352	0.5
89.03954	1.1
106.04202	0.8
108.02164	1.0
109.02962	6.4
119.04980	0.7
121.02958	0.9
133.02937	2.0
134.03735	10.2
135.04498	0.9
148.01642	1.2
149.06070	16.2
150.06924	0.7
162.03201	0.7
165.05641	0.8
171.10310	0.6
176.01103	3.1
177.01935	70.7
178.02264	2.4
187.03946	0.8
189.01935	16.3
190.02547	2.2
191.03531	2.8
209.11803	0.6
215.03497	9.0
222.01697	2.6
227.03522	0.8
233.04546	14.5
270.05246	0.7
279.02881	1.5
281.04538	2.1
297.04065	4.4
298.04825	8.3
307.06149	1.0
309.03989	3.7
323.05640	1.0
324.06332	5.5
325.07135	2.0
449.12283	2.5
451.43930	0.6
475.14050	6.3
476.14243	0.7
493.15030	100.0
494.15375	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	493.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11747	0.8
55.01852	1.7
57.03448	74.7
58.00596	1.4
59.01379	100.0
61.98818	3.3
62.56562	0.9
63.42042	0.8
64.89239	0.8
69.34756	6.8
71.01382	39.3
71.01783	1.8
72.99299	1.3
73.02947	14.1
81.03432	1.9
83.01383	5.0
85.02953	10.1
87.00864	2.5
89.02444	29.3
91.66773	0.8
95.01392	2.3
99.00856	2.4
99.04521	76.4
101.02445	49.6
101.03008	0.6
113.01721	1.4
113.02451	18.9
116.92820	1.3
119.03500	11.1
123.04471	1.2
125.02452	42.5
131.03513	2.1
143.03508	6.5
155.03348	0.8
159.02910	1.3
161.04559	13.7
179.05646	4.1
187.13367	5.7
197.11868	4.5
221.06529	1.2
253.14392	3.6
281.93835	1.0
331.17651	18.4
349.18646	64.9
350.18976	4.1
391.19675	19.6
392.19955	1.8
431.22879	2.9
449.23846	1.2
493.22888	21.3
493.29706	1.8
494.23276	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	11.3
58.00594	2.5
59.01379	100.0
61.98832	6.6
69.03454	1.4
71.01382	34.9
71.52590	1.6
72.99310	5.4
73.02948	29.5
75.00858	7.5
83.01371	2.4
85.02950	13.2
87.00870	7.1
87.04505	5.3
89.02442	27.3
93.54890	1.2
95.01387	1.6
97.20023	1.4
99.00887	2.2
99.04527	5.6
101.02442	54.8
103.00322	1.6
103.02872	2.6
103.04018	22.9
113.02447	7.0
115.04021	3.5
115.07721	1.6
119.03511	14.0
119.05016	1.7
120.99616	2.8
125.02458	8.1
127.03973	1.5
131.03481	10.9
143.03470	9.5
145.05064	8.9
149.04564	2.1
155.30756	1.4
161.04532	2.1
163.06120	71.0
164.06439	2.1
196.19737	1.4
205.07182	20.9
265.09210	3.6
287.17813	1.4
293.08731	3.5
321.34189	1.6
331.17545	2.3
331.24899	1.9
336.02582	1.3
349.18552	7.6
349.30783	1.5
363.72665	1.5
391.19839	1.3
433.20636	4.5
478.61908	1.3
481.13077	1.4
484.81711	1.3
493.15872	2.6
493.23352	2.5
493.29926	3.2
494.16537	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	11.3
58.00594	2.5
59.01379	100.0
61.98832	6.6
69.03454	1.4
71.01382	34.9
71.52590	1.6
72.99310	5.4
73.02948	29.5
75.00858	7.5
83.01371	2.4
85.02950	13.2
87.00870	7.1
87.04505	5.3
89.02442	27.3
93.54890	1.2
95.01387	1.6
97.20023	1.4
99.00887	2.2
99.04527	5.6
101.02442	54.8
103.00322	1.6
103.02872	2.6
103.04018	22.9
113.02447	7.0
115.04021	3.5
115.07721	1.6
119.03511	14.0
119.05016	1.7
120.99616	2.8
125.02458	8.1
127.03973	1.5
131.03481	10.9
143.03470	9.5
145.05064	8.9
149.04564	2.1
155.30756	1.4
161.04532	2.1
163.06120	71.0
164.06439	2.1
196.19737	1.4
205.07182	20.9
265.09210	3.6
287.17813	1.4
293.08731	3.5
321.34189	1.6
331.17545	2.3
331.24899	1.9
336.02582	1.3
349.18552	7.6
349.30783	1.5
363.72665	1.5
391.19839	1.3
433.20636	4.5
478.61908	1.3
481.13077	1.4
484.81711	1.3
493.15872	2.6
493.23352	2.5
493.29926	3.2
494.16537	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	494.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53193	0.2
55.43615	0.2
55.64465	0.2
59.01373	0.5
61.98830	100.0
68.54464	0.2
71.51242	0.3
99.92620	0.4
103.00385	0.4
119.05064	0.3
126.60460	0.2
128.03555	0.5
135.04495	0.2
149.06102	0.3
223.17645	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17659	0.2
57.54641	0.1
59.01395	0.2
61.98830	100.0
69.39663	1.4
69.40016	0.2
94.37450	0.2
98.20004	0.3
114.16380	0.2
124.61352	0.2
132.24573	0.2
344.33197	0.2
460.76645	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.5
61.98830	100.0
69.42896	0.7
69.43318	1.1
71.01393	1.2
72.99290	0.3
73.02955	0.4
85.02960	0.5
85.50399	0.3
89.02457	0.6
101.02473	0.8
113.02471	0.4
147.60329	0.3
161.32933	0.3
219.76758	0.3
292.76648	0.3
418.73590	0.3
431.22818	9.5
432.23248	0.6
478.14450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22670	0.3
58.62010	0.2
59.01381	100.0
60.01699	0.4
61.98830	1.3
69.38365	2.1
69.59749	0.3
70.55096	0.3
92.10641	0.3
100.37009	0.3
117.03445	2.0
118.04219	0.6
119.05033	6.9
121.02954	2.1
123.04520	0.4
128.53783	0.3
145.01895	0.6
145.02957	7.0
162.03227	0.6
163.04015	4.7
169.41292	0.3
210.48744	0.3
288.16052	46.4
289.16345	3.0
302.17560	0.6
401.99503	0.3
452.20135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05948	0.4
50.34932	0.4
59.01377	100.0
60.01722	0.7
61.98830	7.7
69.27036	3.2
88.98808	0.5
103.00394	0.4
117.03463	1.2
118.84416	0.4
119.05022	4.1
119.05711	0.4
119.80563	0.4
121.02962	0.6
122.97701	0.4
126.76050	0.4
129.06731	0.6
134.77414	0.5
145.02943	4.6
162.03200	0.9
163.03989	3.0
198.03999	0.4
243.12282	0.8
288.16043	29.1
289.16562	1.4
302.17682	0.8
416.21320	0.4
431.19476	2.4
494.19305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.9289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.9
60.83685	0.6
61.98817	1.0
63.25885	0.6
71.50369	0.8
77.91117	0.7
78.95894	1.2
86.96024	0.7
96.96016	3.6
100.71228	0.6
103.58176	0.7
111.02637	0.7
123.18776	0.7
134.96080	8.5
136.94011	19.9
137.94069	1.0
144.09140	0.8
144.87160	0.7
150.29915	0.7
151.84927	0.7
151.92725	1.4
152.41418	0.7
152.91763	37.3
162.05022	0.9
167.90424	3.1
170.86737	0.6
178.95061	42.2
179.95123	1.8
194.92802	68.2
195.93248	1.3
201.02565	2.2
212.93857	2.7
226.88574	8.3
227.25964	0.7
228.07462	0.7
250.93857	0.9
252.91852	1.0
255.85912	1.0
268.89615	14.0
272.85492	0.9
288.83316	1.0
292.94897	4.1
294.92923	7.3
308.92865	0.8
310.90689	33.2
332.82202	1.0
336.93958	47.0
337.94183	4.0
342.33109	0.8
352.81268	2.2
352.91705	100.0
353.31424	0.9
353.92096	2.6
369.56311	0.8
383.78488	2.1
384.28659	1.2
384.77759	0.8
392.78891	2.2
423.76630	1.7
424.26590	0.8
432.76862	5.8
433.27066	1.9
433.76895	1.5
434.80154	4.6
441.77673	0.9
442.77240	1.1
472.85175	0.8
494.76917	2.5
494.92947	6.4
495.27313	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	495.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73475	0.8
57.03432	1.0
58.62688	0.9
59.01383	9.5
60.99307	19.1
61.98824	6.8
71.01376	1.9
71.13388	1.0
71.52039	1.3
88.98805	100.0
89.99132	1.6
139.11348	6.8
147.33644	1.1
181.12317	3.2
183.10233	9.8
184.01497	0.9
195.86891	0.9
220.04849	1.2
225.11264	3.5
243.12369	63.5
244.12625	2.1
253.65543	1.1
285.13641	1.4
297.33337	1.1
405.17725	23.6
406.18353	1.4
435.25858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
57.03448	1.8
57.95494	1.0
58.00591	2.6
59.01379	100.0
61.98829	6.3
69.03466	1.9
69.29115	9.6
71.01385	38.1
72.99319	2.1
73.02950	19.7
83.01402	4.1
85.02956	12.1
87.00867	7.0
87.04523	3.1
89.02448	40.8
93.60551	1.1
97.02939	1.7
98.19904	1.8
101.02444	52.3
103.04023	11.8
107.05047	3.0
111.58013	1.1
113.02459	11.2
115.04021	5.4
117.40566	1.3
119.03497	17.2
125.02461	3.7
131.03499	8.1
132.09120	1.2
137.57288	1.0
143.03529	12.3
145.05055	5.2
155.10794	2.5
161.04565	2.4
163.06126	51.2
179.05608	5.8
179.10788	3.8
199.09708	1.5
205.07161	21.2
223.09764	2.3
247.08086	1.7
265.09250	4.1
265.20654	1.1
277.11298	1.1
289.16562	3.8
325.12717	1.3
380.67224	1.1
435.22333	53.3
436.22656	2.7
495.18951	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	495.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57917	0.3
55.01874	0.5
57.03454	0.7
58.00594	0.7
59.01377	100.0
60.01714	0.6
61.98833	3.3
64.47179	0.4
69.03461	1.1
69.11720	0.3
69.52449	0.3
69.52796	2.1
71.01380	20.9
72.99322	0.7
73.02943	22.6
73.67207	0.3
75.00869	0.5
83.01385	6.1
84.02153	0.3
85.02953	4.7
87.00901	1.0
89.02442	7.4
95.01404	1.5
96.96002	0.3
97.02958	0.5
99.00927	0.6
101.02441	21.2
103.00401	0.9
109.23119	0.4
111.00921	0.6
112.01676	0.3
113.02453	11.1
119.03506	3.7
121.06641	0.9
125.02484	1.0
131.03494	2.3
136.05267	0.6
143.03476	2.0
149.04512	1.9
149.06190	0.6
150.06894	0.3
155.03555	0.6
161.04559	4.5
165.09177	0.3
179.05666	1.1
209.92671	0.3
221.06715	0.3
255.17525	0.4
261.18555	4.2
273.18564	0.4
285.04153	0.5
405.22784	4.7
406.23050	0.4
420.19046	0.4
423.23819	4.4
424.24518	0.5
435.23740	4.6
436.24411	0.7
453.24780	1.7
464.18457	0.4
465.24759	0.5
495.26257	2.0
495.33377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2601
Annotation	Phloganthoside
Peak:m/z	Relative Intensity
55.01867	2.1
57.03437	2.0
58.00595	1.4
59.01377	22.6
61.98836	4.5
62.22951	0.4
63.87189	0.4
66.82091	0.4
69.03460	0.6
71.01381	29.6
71.52633	0.9
72.99308	2.0
73.02946	12.5
75.00860	0.6
79.05527	2.3
83.01379	3.8
85.02952	12.9
86.00099	0.7
87.00890	1.1
89.02441	8.4
93.20649	0.4
95.01398	3.4
97.02956	0.8
99.00880	3.7
99.04511	3.7
101.02438	18.1
106.84275	0.6
111.60591	0.5
113.02449	11.4
119.03500	3.2
125.02422	1.0
129.01953	0.6
135.08159	2.7
150.06845	0.9
151.11250	0.6
159.02986	1.9
161.04544	6.0
179.05617	0.6
179.10732	0.7
205.03491	0.5
219.17738	0.8
243.17484	1.2
273.22339	1.3
289.21671	4.6
317.21240	1.9
333.20529	0.7
451.26987	7.4
495.25992	100.0
496.26294	8.3
516.57501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2599
Annotation	Phloganthoside
Peak:m/z	Relative Intensity
55.01869	2.0
57.03447	9.2
58.00586	1.1
59.01381	30.0
61.98546	0.8
61.98833	8.8
65.31277	0.8
69.19308	4.0
69.19724	2.9
71.01382	33.4
72.79688	0.8
72.99292	1.2
73.02945	15.9
76.35303	0.7
79.05541	1.5
83.01402	4.3
84.94063	0.9
85.02959	14.8
87.00866	1.8
88.80164	0.9
89.02448	10.8
90.65694	1.0
95.01373	2.9
99.00893	5.5
99.04534	7.5
101.02439	19.5
104.02869	0.7
113.02449	13.2
115.92053	0.9
116.67455	0.8
119.03493	4.4
125.02454	1.7
135.08125	2.4
143.03485	1.1
151.11269	1.5
152.72035	0.7
157.74527	0.8
159.02962	1.7
161.04552	7.1
193.39919	0.8
201.93343	0.8
205.03598	0.8
273.22171	1.6
289.21713	4.5
317.21365	1.7
360.37250	0.8
404.61887	1.0
446.76105	1.0
451.27118	10.4
478.55154	0.8
495.25995	100.0
496.26352	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46436	1.0
57.03441	2.1
57.21788	1.0
58.00589	1.7
59.01379	39.8
60.01710	3.6
61.98832	12.5
68.99813	1.1
69.03452	2.6
69.27119	3.2
69.27532	5.5
71.01380	27.5
72.01749	1.4
72.99318	3.5
73.02943	24.4
75.00874	2.8
81.03493	1.2
83.01383	3.9
83.05040	2.4
85.02945	9.1
87.00871	5.4
87.04532	7.1
88.01312	1.0
89.02451	13.2
95.01340	1.1
97.02943	5.7
97.06603	1.1
99.00861	1.8
99.04529	2.0
100.01709	1.6
101.02444	100.0
102.02789	3.1
103.04032	2.3
107.05038	2.7
109.02933	1.8
109.06602	1.5
111.04507	3.8
113.02428	5.6
115.03964	1.5
119.03529	5.3
121.06616	1.8
125.02452	4.2
125.06115	2.8
131.03534	1.4
134.09642	1.0
135.04492	1.1
135.08119	1.7
135.11795	6.0
143.03477	3.8
143.08643	1.3
147.08127	1.3
149.09781	1.4
159.08171	2.5
159.11818	2.9
160.67265	1.0
161.09702	11.3
162.04675	1.2
163.06166	12.5
163.11304	1.9
164.06493	4.0
168.23116	0.9
175.07556	1.0
175.11255	2.9
177.09190	1.2
177.12744	1.8
179.05621	2.3
179.10768	32.4
180.11096	1.4
189.12881	1.1
191.10735	1.8
193.12387	1.7
201.12865	6.8
203.10767	6.3
205.07115	4.0
205.08745	1.7
206.07501	3.2
217.12311	2.1
219.13815	1.4
221.11784	3.1
223.09712	14.7
227.10782	3.0
229.08727	1.5
233.11902	2.0
235.13428	1.9
243.10439	1.3
245.11742	5.5
247.09851	1.6
263.12827	7.1
265.10864	12.3
279.12350	4.8
287.12759	1.2
295.11832	5.4
307.11847	12.3
321.13565	2.9
325.12952	20.1
331.11945	1.5
349.12708	5.8
385.03329	1.3
385.14960	6.3
391.14233	1.9
409.15067	12.6
420.18924	1.3
435.22446	2.2
436.22729	15.0
437.22675	1.2
464.18283	1.9
469.17172	4.8
496.18643	4.5
497.27585	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	496.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54413	0.7
55.01867	0.9
56.29414	0.6
57.03446	16.1
59.01380	39.4
60.01698	1.0
60.34785	0.6
61.98830	100.0
69.03464	0.8
69.29417	6.0
71.01379	17.0
72.99311	1.0
73.02943	5.9
81.03463	0.7
83.01397	2.6
85.02961	7.2
87.00905	0.8
89.02437	3.9
95.01382	1.9
99.00890	2.7
99.04520	18.2
101.02452	13.5
113.00807	0.8
113.02450	6.6
119.03542	1.4
119.08658	2.2
121.06639	0.8
125.02435	7.0
131.03511	0.7
135.08191	0.7
136.07671	0.8
137.09749	4.2
143.03491	1.1
150.06903	1.2
153.09277	1.1
161.04604	2.2
181.08626	1.2
255.02898	0.8
285.03949	1.8
289.16519	4.8
319.22940	2.6
331.17722	2.1
335.22452	1.5
355.61453	1.0
390.94427	0.8
420.18332	1.0
433.20728	8.1
436.24472	1.2
497.27557	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2029
Annotation	Val Glu His Asp
Peak:m/z	Relative Intensity
57.03439	1.9
59.01380	21.4
61.98829	7.4
69.03447	0.8
69.32130	1.0
69.32533	3.2
71.01376	4.7
73.02947	6.4
74.02496	0.6
81.03465	0.6
83.01392	5.6
85.02965	5.3
87.04514	1.2
89.02428	0.6
94.02988	3.8
95.01381	4.7
95.05037	0.6
97.02959	0.6
98.19875	1.0
99.00938	0.9
101.02447	3.3
108.02175	23.4
108.02920	1.2
109.02956	70.7
110.03284	1.2
113.02435	2.0
123.00870	4.4
123.04593	1.1
125.06088	0.6
139.11295	17.1
140.11597	0.8
147.04471	0.6
150.03168	1.4
151.03975	1.1
153.01892	1.3
163.11267	0.8
165.05569	2.4
165.09227	1.0
169.12373	1.6
179.10835	1.5
181.12352	5.2
183.10249	30.5
184.10562	0.7
197.11847	1.6
207.10411	0.6
225.11301	9.3
231.10165	0.7
243.12387	4.7
249.11316	1.2
263.13034	0.7
267.12381	1.3
285.04065	1.4
309.13586	0.6
327.14566	3.1
331.11865	0.8
387.16364	0.9
416.11728	0.6
421.40524	0.5
441.91968	0.6
468.19073	0.7
479.19336	5.2
480.19370	0.9
497.20291	100.0
498.20517	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	497.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02396	0.3
53.70634	0.3
59.01380	1.4
61.98829	100.0
63.73222	0.3
69.66277	1.9
71.01388	0.5
73.02935	0.5
83.05063	0.3
89.02499	0.5
98.19949	0.4
101.02494	0.6
103.00400	0.5
139.11287	0.4
150.57254	0.3
190.12900	0.3
198.62517	0.3
217.00380	0.3
243.12502	0.4
457.64673	0.4
497.19098	0.4
497.26526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.5
61.98830	100.0
62.59982	0.4
63.96241	1.3
69.03432	0.4
77.28335	0.5
78.95928	1.7
88.98822	1.2
90.34798	0.4
90.98609	0.9
94.02980	3.1
98.20661	1.1
108.99609	2.0
111.58590	0.4
137.68127	0.4
140.21382	0.5
157.73561	0.4
165.01884	0.5
186.46675	0.4
225.11484	0.6
243.12370	0.6
312.29849	0.5
387.17004	0.5
414.73676	0.5
479.16022	0.6
480.18774	0.9
497.16525	0.9
498.19974	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15243	0.3
50.25285	0.2
59.01387	0.5
61.98831	100.0
69.33335	1.7
71.01365	0.3
103.69872	0.3
120.64346	0.2
267.39517	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29886	1.7
52.50479	1.6
58.00595	2.5
59.01380	98.4
71.01383	66.6
71.01786	3.4
71.24567	3.4
71.67622	1.6
72.99331	2.7
73.02576	2.1
73.02924	11.0
83.01407	2.6
85.02963	10.0
87.00885	8.7
89.02445	100.0
99.00882	7.0
101.02443	49.0
104.60249	1.6
113.02473	13.0
119.03497	6.3
119.87941	1.4
125.02419	2.9
131.03502	44.0
149.04555	98.3
159.58693	1.6
161.04544	3.2
176.43439	1.7
189.68510	2.3
191.05588	22.3
201.11244	6.1
202.96599	1.7
251.07684	2.8
293.08887	2.7
305.15939	3.6
311.10004	3.0
437.20282	76.7
438.20541	5.5
453.21472	1.8
497.22504	9.2
510.21902	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03431	2.0
59.01378	16.1
61.98829	7.7
71.01380	17.5
72.99308	1.3
73.02558	0.9
73.02944	13.3
75.00877	0.9
83.01381	2.3
85.02950	8.5
87.00869	1.1
89.02447	4.6
95.01376	2.5
96.96008	1.0
98.19880	1.5
99.00876	1.8
99.92561	0.7
101.02448	9.4
111.00826	0.5
113.02441	6.7
116.92830	0.7
119.03475	1.5
137.09729	1.8
148.44835	0.6
153.12799	1.2
161.04501	0.7
161.45247	0.6
193.15935	0.8
301.21341	0.6
317.21249	0.6
319.22690	2.6
335.22220	1.8
370.04544	0.6
406.38965	0.5
443.75211	0.6
472.10608	0.6
497.27524	100.0
498.27982	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	497.2756
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
55.01867	1.0
57.03437	1.8
59.01380	14.2
61.98830	9.8
62.84186	0.5
63.20403	0.5
70.66888	1.4
71.01381	11.2
72.99272	0.7
73.02952	4.4
83.01370	2.3
85.02954	5.9
87.00870	0.6
89.02448	3.7
95.01391	1.3
96.96010	0.9
97.02986	0.6
99.00871	1.4
99.04522	1.3
99.43850	0.5
101.02446	9.6
106.97015	0.4
113.02447	4.0
119.03466	0.9
119.04866	0.5
122.06114	1.1
129.42810	0.4
135.08107	0.5
137.09700	2.3
152.07159	1.7
161.04581	1.0
203.14375	1.6
221.12222	0.5
259.20663	2.0
260.21045	0.5
271.20624	0.7
291.23376	0.7
312.19000	0.6
317.21216	1.1
318.21695	0.5
319.22726	1.9
335.22281	25.4
336.22601	1.5
479.26767	0.6
497.27539	100.0
498.27859	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2756
Annotation	Virescenoside N
Peak:m/z	Relative Intensity
55.01870	1.1
57.03444	2.0
58.00585	0.8
59.01072	0.5
59.01377	15.8
61.98827	16.4
69.03461	0.5
70.12325	0.6
70.12703	0.5
71.01381	16.5
72.99287	0.9
73.02943	4.4
83.01389	2.8
83.05017	1.2
85.02950	8.8
86.00093	0.4
87.00872	0.7
89.02445	4.3
95.01400	1.9
97.02953	0.4
97.24512	0.2
99.00879	2.0
99.04517	1.5
101.02439	9.0
101.93011	0.3
102.33138	0.2
107.05014	0.8
110.73930	0.3
111.00871	0.5
113.01717	0.4
113.02448	5.5
119.03491	1.0
119.08673	3.0
121.06660	0.3
125.02452	0.6
129.01935	0.7
135.08116	0.4
137.09714	5.4
143.03526	0.3
153.09209	1.1
158.72981	0.2
161.04517	0.6
163.07605	0.3
175.02396	0.4
181.08698	2.1
189.31377	0.2
289.82410	0.2
301.21762	0.3
317.20834	0.4
319.19327	0.5
319.22797	5.1
320.22879	0.3
335.22244	2.0
412.39978	0.3
479.26465	0.4
497.27524	100.0
498.27844	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	498.152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51854	0.6
59.01373	1.9
61.98832	17.4
65.66957	0.6
69.47709	4.1
88.61774	0.7
90.71313	0.7
98.19926	1.6
99.11954	0.6
108.08216	4.0
110.40273	0.7
121.04561	0.7
121.05292	4.1
136.07683	87.2
137.08009	1.1
153.04323	2.7
158.10924	0.7
182.06071	2.4
184.07674	1.2
187.99908	0.7
198.05653	1.0
199.06384	0.8
203.76170	0.8
210.05638	4.7
226.05046	2.6
227.05772	1.2
240.06616	1.1
242.08250	5.8
250.93040	0.9
254.04626	6.9
266.04807	1.1
286.07220	19.6
287.07715	1.6
298.07230	3.9
407.16202	4.9
435.15591	100.0
436.15939	8.3
498.27902	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00549	1.0
57.03439	2.2
58.00605	1.2
59.01076	1.5
59.01376	31.5
59.99475	0.9
61.98832	14.0
66.26960	0.9
69.03441	2.6
69.85653	3.5
69.86077	2.0
69.91739	0.9
71.01009	1.9
71.01383	23.6
72.99288	2.4
73.02942	39.7
75.00887	1.2
81.65128	1.0
83.01386	2.8
83.05013	2.0
85.02943	9.9
87.00855	1.6
87.04512	6.9
89.02444	3.4
90.28123	0.9
91.06332	1.0
94.02983	11.2
95.05050	2.1
97.02936	3.3
97.06611	1.0
99.00851	2.5
101.02441	100.0
102.02780	1.2
107.05049	1.6
109.06580	3.0
111.04475	1.3
111.08155	2.1
113.02436	4.2
121.06619	1.3
121.10192	1.0
123.04522	4.4
123.08208	1.4
125.02419	2.2
135.04552	1.3
135.08156	3.9
136.07684	1.8
136.23264	1.1
137.06131	2.0
137.09712	1.4
145.10284	1.2
161.04509	2.9
161.09842	1.4
163.11308	10.2
175.11305	1.1
177.12807	1.7
181.12331	66.1
181.68472	0.9
182.12627	1.2
185.13280	1.2
187.11298	2.9
195.13882	3.6
201.13077	1.3
202.93532	1.2
203.14395	6.5
205.12329	2.7
207.10234	6.5
209.18445	1.1
217.12338	1.8
219.14151	1.5
223.13339	5.9
225.11310	77.9
226.11615	3.8
229.12340	4.3
231.10222	9.4
239.12788	2.1
247.13335	5.5
249.11255	6.8
255.03090	1.3
261.11267	2.0
263.12833	4.5
267.12338	19.4
273.11273	5.1
279.12320	3.9
279.15417	1.0
281.13947	2.4
284.03250	1.6
285.03931	2.9
291.12369	37.7
292.12909	1.1
297.13416	2.3
300.10938	1.1
309.13547	7.1
327.14502	12.9
333.13345	8.3
336.22421	1.3
351.14304	2.0
363.14600	2.4
369.15393	2.5
387.16379	3.5
393.15381	8.4
411.16550	4.2
437.91266	1.0
453.17435	1.2
467.11389	1.0
471.18555	5.0
498.19760	3.4
498.28006	4.1
499.28668	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	498.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62941	0.1
59.01373	1.5
61.98830	100.0
69.24221	1.6
71.01393	0.6
73.02932	0.2
75.00870	1.4
76.01209	0.2
80.91734	0.2
85.02949	0.2
87.00883	0.2
89.02450	0.5
101.02466	0.5
113.02426	0.3
149.04657	0.2
155.72957	0.2
217.37799	0.2
351.21542	0.2
438.23337	0.4
499.28940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75322	0.3
53.97150	0.2
57.03444	0.7
59.01378	1.9
60.01704	0.3
61.98829	100.0
70.15461	0.2
71.01385	1.0
71.52132	0.4
72.99301	0.6
73.02953	0.3
75.00868	4.7
78.95924	0.3
83.01373	0.3
85.02957	0.4
92.82021	0.3
99.04524	0.4
101.02441	1.2
102.02747	0.4
113.02524	0.3
128.03552	0.3
128.87451	0.2
135.31551	0.3
175.02562	0.5
178.06511	0.3
249.32149	0.3
250.64113	0.3
267.07306	0.5
335.21317	0.3
356.43546	0.2
369.95221	0.2
498.28204	0.7
499.29446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.32469	1.0
70.40608	0.2
73.65744	0.2
96.96017	0.6
140.55508	0.2
142.27820	0.3
244.87047	0.3
293.07794	0.3
341.00098	0.3
489.42581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41282	0.3
55.37167	0.3
56.87348	0.3
59.01379	100.0
61.98837	1.9
70.77520	0.3
70.83880	0.7
71.01393	1.0
79.04252	0.3
85.02968	0.4
101.02442	0.6
113.02474	0.5
126.13110	0.3
127.11813	0.3
146.39333	0.3
151.64844	0.3
218.73540	0.3
304.53964	0.3
499.29254	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41282	0.3
55.37167	0.3
56.87348	0.3
59.01379	100.0
61.98837	1.9
70.77520	0.3
70.83880	0.7
71.01393	1.0
79.04252	0.3
85.02968	0.4
101.02442	0.6
113.02474	0.5
126.13110	0.3
127.11813	0.3
146.39333	0.3
151.64844	0.3
218.73540	0.3
304.53964	0.3
499.29254	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34901	0.6
59.01381	100.0
61.98835	1.3
71.52044	0.9
79.74451	0.7
91.04030	1.2
142.31427	0.7
144.21561	0.7
199.13312	1.0
234.80731	0.6
279.11609	0.7
365.26978	9.8
524.75195	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.8
59.01381	11.1
59.59883	0.7
61.98831	100.0
62.05797	0.6
62.39599	0.6
70.34528	1.6
70.34922	1.2
71.01385	7.0
72.99316	0.9
73.02945	2.6
83.01427	1.9
85.02952	4.7
85.86032	0.6
87.00908	0.7
88.69692	0.5
89.02427	1.3
95.01410	0.7
97.02941	1.8
99.00880	0.8
101.02438	4.6
108.08206	0.8
111.00912	0.8
113.02482	2.0
114.07712	0.5
121.05342	1.2
132.04584	3.0
136.07680	23.9
153.04373	0.7
159.02979	0.7
161.04590	1.0
176.03574	1.2
188.07169	0.7
190.05135	2.6
211.13420	0.9
212.07179	3.6
244.09799	1.0
256.06281	1.8
288.08752	5.7
316.16107	0.7
325.11945	3.2
339.13605	1.2
409.17581	0.7
437.17130	46.5
438.17657	3.7
499.29395	3.3
500.29483	5.5
501.30701	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
61.98829	100.0
70.05945	0.2
71.51492	0.5
81.80124	0.2
89.02483	0.3
96.96021	0.3
98.51093	0.2
102.05589	0.3
103.00377	0.3
115.08769	0.3
119.05059	0.5
127.05159	0.2
128.03510	1.2
130.08760	0.2
146.04660	0.3
161.08261	0.3
165.01840	0.3
165.03793	0.3
180.10245	0.3
188.15320	0.3
227.63899	0.3
228.06868	0.3
297.97479	0.2
301.06735	0.3
349.19595	0.3
371.23221	0.4
482.26135	0.4
500.21945	0.8
500.27899	2.2
501.14346	0.2
501.26724	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
60.46403	0.2
61.98830	100.0
71.01391	0.6
71.24264	0.4
73.02970	0.2
87.05646	0.3
88.04056	0.6
89.02477	0.4
93.03435	0.3
96.96021	3.7
101.02486	0.3
103.00376	0.4
114.93442	0.9
115.00414	0.4
119.05115	0.2
128.03502	1.3
130.08762	0.7
131.05054	0.5
132.03052	0.3
139.94539	0.3
145.44611	0.3
165.03828	0.8
184.42638	0.3
191.05638	0.5
200.14133	0.5
236.51604	0.2
243.95831	0.2
369.64948	0.2
371.22928	0.5
385.24783	0.4
417.42181	0.3
456.13806	0.3
457.17374	0.7
500.27536	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	500.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10443	0.5
52.20362	0.5
53.81857	0.5
56.91307	0.6
57.03447	2.0
59.01379	26.6
60.01701	0.6
61.98830	8.3
63.97162	0.5
64.17906	0.5
69.81734	1.5
69.82141	1.1
71.01382	4.4
73.02953	3.4
78.91885	0.8
83.01395	1.2
85.02929	1.7
89.02439	2.1
91.73315	0.6
94.02994	7.8
96.96040	0.5
101.02452	2.6
103.00346	0.9
108.84092	0.5
112.04002	0.6
112.98618	0.6
113.02452	2.0
119.03503	0.9
128.03560	0.8
129.16341	0.5
134.88354	0.6
139.11288	24.8
149.06096	2.4
151.11298	0.5
161.04622	0.8
163.04054	0.5
163.11302	1.0
165.09145	0.5
181.12347	8.8
183.10254	28.0
184.10564	0.6
199.13428	3.3
207.10294	0.8
225.11325	9.0
230.70224	0.6
243.12361	100.0
244.12679	3.5
327.14526	0.7
387.16547	1.2
470.20282	3.1
482.20340	5.0
500.21387	13.5
500.29123	2.8
501.20172	3.2
501.29944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15436	0.7
57.03436	2.7
58.00583	1.0
59.01381	30.0
59.25259	0.9
67.01896	7.3
69.03446	1.0
69.18482	0.8
70.08822	3.5
71.01385	6.0
73.02943	14.0
82.02978	3.5
83.01382	15.2
85.02941	1.1
87.04496	3.3
90.71983	0.8
94.02983	100.0
95.03307	1.4
97.02921	1.3
101.02444	6.9
109.06550	1.6
111.08185	1.2
112.04018	1.0
123.04526	0.8
125.02445	1.2
127.07603	0.8
131.74619	0.9
137.06113	1.0
139.07654	1.3
139.10225	1.3
139.11293	21.8
151.11214	2.0
154.96211	0.8
163.11266	1.2
165.09207	1.1
167.10811	1.5
169.12340	6.0
179.10745	5.2
181.12337	7.9
183.10262	36.6
184.10645	1.8
195.13939	2.1
197.11855	3.4
199.13348	1.7
205.12346	1.2
207.10349	1.0
225.11320	26.5
226.11641	1.6
231.10255	1.1
235.87634	0.8
239.12770	1.3
243.12357	23.0
244.12773	1.4
249.11282	2.1
263.12936	0.9
267.12341	3.4
285.13516	4.6
291.12436	2.8
309.13336	1.5
327.14453	8.9
387.16574	21.1
464.18848	1.6
470.13754	1.7
470.20325	27.9
471.20425	2.5
482.20319	53.0
483.20682	5.2
500.21365	83.7
501.21796	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	500.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
57.03451	6.4
58.00586	2.0
59.01379	82.4
61.98830	29.1
69.03458	7.7
71.01382	16.9
72.99308	1.8
73.02946	12.7
75.00888	2.8
83.01386	10.2
83.05022	1.3
85.02950	41.4
87.00874	4.5
87.04511	8.0
89.02443	3.1
94.02972	1.3
95.01410	1.2
97.02941	10.5
97.06582	1.1
99.00868	2.7
99.04514	2.3
101.02444	17.0
109.02968	5.6
109.06584	2.1
111.08162	1.4
113.02469	5.3
113.06095	1.0
114.80370	0.9
115.04016	3.3
119.03490	2.0
122.26466	0.9
123.04500	1.5
125.02423	2.4
127.04027	9.7
127.07648	1.5
131.03516	1.7
137.09692	1.4
139.07664	2.1
139.11290	40.5
143.03474	1.9
151.11290	3.1
161.04529	2.8
161.09698	1.3
163.11302	3.2
165.09149	5.3
167.10715	1.9
169.12340	10.4
177.12859	1.5
179.10770	7.1
181.12349	18.0
183.10254	86.7
184.10616	2.0
195.13928	11.9
197.11804	10.6
199.13400	1.0
200.85558	0.9
207.10254	1.5
221.11823	1.0
223.13333	2.4
225.11314	100.0
226.11661	4.2
231.10172	1.4
236.99927	0.8
239.12915	6.8
239.67975	0.8
243.12360	61.8
244.12724	2.3
247.08188	3.0
249.11209	4.0
255.12363	1.1
263.12885	1.3
267.12363	29.1
268.12616	1.2
275.12726	1.0
279.12405	3.7
281.14014	1.6
285.13440	11.2
291.12387	7.7
293.13931	2.6
297.13403	2.6
309.13419	5.5
315.14581	1.6
327.14490	33.7
328.14609	1.7
335.14920	2.1
345.15579	1.9
369.15961	0.9
387.16748	4.3
413.18036	2.0
473.20181	5.1
474.20258	1.0
482.20682	1.2
500.21359	55.6
501.21729	4.8
501.30554	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37964	0.2
54.26432	0.2
59.01381	3.0
59.16957	0.2
61.82136	0.2
61.98829	100.0
65.88361	0.2
69.38178	0.5
69.38589	1.2
71.01377	0.5
73.02994	0.2
75.00880	1.1
76.71741	0.2
85.02975	0.2
87.00874	0.2
87.67137	0.2
94.03004	0.3
101.02443	0.3
113.02448	0.4
147.47412	0.2
426.46072	0.2
440.24738	0.4
501.30740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	71.1
70.50987	0.9
77.70908	0.3
90.97137	1.0
91.57626	0.3
95.11943	0.4
105.21279	0.3
118.96606	0.6
132.98192	1.1
157.03558	3.1
159.01451	1.0
171.61916	0.4
174.97972	0.3
174.99234	21.2
201.02539	33.3
202.02696	1.8
217.00279	100.0
217.31599	0.4
218.00655	1.6
261.42874	0.4
292.96173	0.5
335.93845	0.4
343.03665	2.8
344.03543	0.5
359.01453	69.4
360.01596	4.9
514.82996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20256	0.5
59.01381	12.3
69.57325	2.0
69.57736	0.6
71.01366	2.6
73.02920	0.7
75.00876	0.7
85.02955	1.1
87.00882	2.3
91.64506	0.5
93.03468	1.1
103.00371	100.0
104.00703	0.9
115.00395	4.1
117.03455	1.8
119.05025	30.5
120.05366	0.7
121.02988	0.9
132.05797	0.9
133.06615	2.5
145.02957	12.0
161.06079	6.2
163.04002	19.7
175.02472	5.8
175.03851	0.9
187.03987	2.4
191.07129	0.9
205.05045	4.9
217.04999	1.7
235.06134	2.9
325.09354	0.8
483.11188	0.7
501.12506	15.3
502.12750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.6
59.01379	13.8
69.85968	1.7
71.01381	2.9
71.23761	0.5
71.58250	0.4
72.99311	0.5
75.00891	0.8
85.02969	0.5
87.00885	2.1
93.03455	1.0
98.19926	0.6
103.00372	100.0
104.00723	1.1
113.02462	0.7
115.00385	2.8
117.03468	1.5
119.05027	35.7
120.05373	0.6
121.02935	0.7
131.03546	0.6
132.05843	0.6
133.06599	2.3
134.98578	0.5
145.02950	12.8
159.04462	0.6
161.06085	5.9
163.04010	20.5
175.02486	7.3
187.04008	2.0
191.07141	1.4
194.72850	0.6
205.05032	5.4
217.05051	2.3
235.06149	3.5
268.04147	0.6
325.09653	1.1
411.09399	0.8
501.05008	0.8
501.12460	15.9
502.12952	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	501.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29146	1.1
51.15528	1.1
55.01874	2.0
56.14188	1.3
57.03448	6.1
58.00603	2.9
59.01380	60.8
61.98829	65.5
68.99834	1.4
69.03464	1.7
69.15072	9.4
69.15475	2.8
71.01383	44.5
72.99303	4.6
73.02942	9.5
75.00870	14.0
80.02679	2.0
81.03454	2.0
83.01391	5.5
83.05030	3.1
85.02956	26.7
87.00878	10.3
87.04524	1.4
88.98834	1.7
89.02444	28.2
89.02950	2.2
93.03473	3.6
94.52405	1.2
95.01385	8.6
97.06593	1.4
98.00068	1.3
98.20638	3.1
99.00874	12.4
99.04525	4.8
100.00437	1.3
101.02444	22.3
103.00379	5.9
111.00861	2.4
113.02457	39.3
117.01967	2.7
119.03500	6.0
121.02955	5.4
121.06579	4.6
125.02450	2.5
128.45555	1.1
129.01968	1.7
131.03494	2.8
134.03745	18.8
135.04492	2.0
140.60344	1.5
143.03503	2.1
149.04588	8.9
149.06079	25.9
150.97382	1.4
157.01425	1.2
161.04526	7.7
164.04782	10.6
175.02483	3.6
179.05618	1.8
189.12834	10.4
207.13927	5.0
233.11897	2.0
249.06168	11.5
251.12820	6.4
253.08583	1.6
267.07208	46.5
294.16647	1.3
297.11206	6.9
325.16452	2.6
339.25223	1.3
353.13730	1.9
353.23459	2.3
357.26660	2.0
371.14899	5.6
429.17026	4.4
439.19614	2.6
447.18140	6.1
458.41071	1.6
465.19220	12.5
465.28705	1.5
466.19604	1.3
483.18375	1.8
483.29584	1.5
501.19742	100.0
501.30719	29.2
502.20233	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	501.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98487	0.4
57.03442	2.6
58.00597	3.3
59.01378	73.7
59.86317	0.3
61.98832	6.7
64.33838	0.3
69.03461	0.7
69.37443	2.1
71.01381	51.2
72.01727	0.5
72.99314	2.4
73.02947	16.9
75.00896	0.5
83.01400	1.5
85.02949	5.5
87.00900	1.1
87.04494	0.6
89.02444	100.0
90.02770	0.8
94.02984	0.7
95.01410	0.3
97.02982	1.9
98.20615	0.6
99.00878	32.0
99.04514	2.7
101.02441	40.5
102.02802	0.4
103.00372	0.6
110.51209	0.3
113.01706	0.7
113.02457	7.1
113.03264	0.6
115.04017	1.5
119.03491	2.9
125.02451	4.7
130.08736	0.7
131.03506	17.8
137.09798	0.4
143.03499	2.7
149.04553	64.5
150.04918	1.3
161.04561	3.5
161.66032	0.4
165.09206	0.5
183.10252	0.4
191.05605	17.2
209.11737	0.4
221.06633	4.0
239.12814	0.5
243.12396	1.0
244.12634	0.7
251.07747	3.0
260.09302	0.4
275.07590	0.7
293.08676	1.0
311.09830	0.8
357.15656	0.6
399.16928	0.8
426.11884	0.5
435.42792	0.3
436.30356	0.4
468.23718	0.4
470.10776	0.9
483.20734	0.4
495.37268	0.4
501.20691	0.5
501.30798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
58.00598	3.1
59.01380	74.8
60.01710	0.6
61.98832	12.8
63.31888	0.5
66.45702	0.5
67.06718	0.5
69.03436	1.1
69.92202	1.1
71.01382	57.1
72.01716	0.7
72.99319	3.5
73.02946	18.0
73.77026	0.4
75.00853	0.6
79.04452	0.4
81.03421	0.5
83.01386	3.5
85.02956	6.0
87.00884	1.1
87.04530	0.5
89.02444	100.0
90.02785	0.6
94.03007	0.7
95.01408	0.9
97.02940	1.4
99.00880	34.3
99.04533	0.9
101.02444	39.1
103.00375	17.4
113.02451	9.4
115.00368	0.5
115.04018	1.0
119.03507	2.6
125.02448	4.0
127.00368	0.6
130.08765	0.9
131.03497	19.9
137.09714	9.7
138.05557	0.7
138.10036	0.6
143.03500	3.6
149.04552	67.0
150.04878	1.2
152.07228	0.5
161.04614	3.6
191.05614	19.1
193.03502	7.2
193.06424	0.5
217.03470	1.0
221.06638	4.3
239.12888	22.7
240.13263	0.9
251.07726	2.3
261.02478	1.0
263.12900	3.4
269.32501	0.5
281.13986	1.4
293.08710	1.6
308.34848	0.5
379.13873	1.2
414.40656	0.5
486.14731	2.5
501.15482	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
58.90676	0.3
59.01379	100.0
60.01717	0.7
61.98829	8.7
71.01379	3.9
71.52333	0.3
72.99319	0.4
73.02956	1.3
74.24912	0.3
75.00882	0.4
83.01388	0.9
85.02951	1.7
89.02445	2.0
91.85955	0.3
95.45216	0.3
99.00891	0.5
99.92599	0.6
101.02425	2.7
103.00381	0.9
111.00877	2.3
113.02457	1.9
115.00400	0.3
115.92075	0.4
116.92853	3.1
119.03519	0.5
125.02463	0.4
130.08728	0.4
131.03545	0.4
134.13441	0.3
135.04578	0.6
139.15157	0.3
143.03586	0.4
149.06218	0.3
157.08733	0.4
161.04597	0.8
165.05449	0.4
173.00926	0.9
188.29700	0.3
252.34286	0.3
262.57526	0.4
298.51920	0.4
353.23270	0.8
369.56912	0.3
399.23764	0.6
465.47620	0.4
483.19623	0.4
501.10681	0.6
501.23529	1.0
501.30859	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	501.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
57.03453	2.1
58.00578	0.5
58.12062	0.3
59.01381	18.8
60.01714	0.5
61.98827	0.8
70.26439	0.7
70.26769	0.7
71.01383	23.0
72.99297	0.6
73.02956	6.5
75.00860	0.5
83.01385	3.6
85.02955	12.0
86.00092	0.8
87.00883	1.2
89.02450	5.1
94.47803	0.3
95.01369	2.2
97.02920	0.4
99.00880	2.6
101.02446	15.5
102.02766	0.4
111.00891	0.3
113.01729	0.6
113.02460	8.8
117.50716	0.3
119.03490	1.4
134.60548	0.3
141.86644	0.3
143.03448	0.4
159.02983	1.0
161.04565	2.4
195.17557	1.1
295.26450	0.7
395.92120	0.3
429.93640	0.4
438.17117	0.6
489.47501	0.3
501.30701	100.0
502.31021	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	501.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47778	0.9
54.42885	0.9
54.58315	1.0
55.01875	2.2
57.03444	1.8
57.35174	1.1
59.01378	49.5
61.98833	10.6
62.82267	1.1
71.01009	1.9
71.01382	25.8
71.51894	1.1
72.99318	2.3
73.02950	6.3
75.00883	1.9
83.01386	4.1
83.94342	1.1
85.02947	14.8
87.00887	2.3
88.98820	1.2
89.02454	7.3
94.11887	0.9
95.01398	3.8
96.95981	1.1
99.00889	4.2
101.02451	17.5
103.00358	1.2
111.00868	3.1
113.02454	10.2
116.19409	1.1
116.92832	1.9
119.03509	2.4
161.04489	3.0
173.00893	1.5
249.06120	2.3
251.16501	6.8
267.51831	1.1
316.04831	1.2
459.29825	1.5
501.23566	9.0
501.30627	100.0
502.31085	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	502.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
70.98790	1.2
70.99129	1.1
78.57546	0.9
78.95884	0.9
86.81233	1.0
305.24847	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	503.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38848	0.4
53.58430	0.3
57.03432	0.6
59.01382	2.2
61.98830	2.5
70.25824	0.6
70.26204	1.1
71.01389	1.0
73.02951	1.0
75.00862	0.5
83.01382	0.5
87.00871	0.3
89.02422	0.7
89.39732	0.3
93.03489	0.5
96.96043	0.5
99.00874	0.6
99.92578	8.6
100.93355	0.4
101.02435	0.8
103.00370	1.0
116.92861	100.0
117.01947	1.9
117.92889	3.4
119.05010	0.6
124.71486	0.3
128.03558	0.5
130.08748	0.9
137.02489	0.8
139.04085	0.4
139.43837	0.3
143.05020	0.6
143.11919	0.4
144.07832	0.8
145.06390	0.4
163.04079	0.5
169.60942	0.4
239.09135	0.6
247.37674	0.3
265.08575	0.5
269.04947	0.4
292.87900	0.4
297.04639	0.4
298.04739	0.5
327.08704	1.4
389.18695	0.3
414.23819	0.4
415.23993	0.8
459.26410	0.8
503.12302	0.6
503.26263	0.8
520.88580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92461	0.6
57.03434	2.4
59.01383	6.6
60.59362	0.6
68.99818	0.7
69.03459	1.3
69.58848	3.8
71.01382	17.9
72.99301	2.5
75.00874	30.2
83.01398	0.9
83.08891	0.6
85.02943	4.8
85.15625	0.6
87.00872	5.1
89.02446	1.8
93.32472	0.6
97.02939	1.4
99.00881	11.1
102.35180	0.6
103.00359	1.7
111.00858	2.5
115.03970	0.6
117.03452	1.8
119.05026	57.2
120.05281	1.5
129.01947	13.2
131.03476	1.4
133.06567	1.5
134.03613	0.7
141.01941	1.5
145.02957	12.0
159.02942	2.5
161.06088	4.4
163.04005	53.1
164.04340	2.1
177.02527	1.1
177.04045	15.2
187.07732	0.8
195.05096	8.1
205.05023	3.9
217.04959	0.6
249.55708	0.7
261.07599	1.7
265.07047	0.8
305.06659	1.1
323.07663	8.7
325.09171	2.0
341.08771	8.7
366.17599	0.8
391.62653	0.8
467.11972	7.1
485.12936	0.9
503.14053	100.0
504.14343	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	503.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.9
59.01379	1.8
60.54382	0.4
61.98806	1.6
69.03442	0.4
70.83937	0.4
70.84264	0.8
71.01388	2.3
73.02957	0.9
75.00876	4.5
85.02959	3.1
87.00864	2.1
89.02436	0.7
93.03490	0.7
96.96028	1.3
97.03073	0.4
99.00869	1.0
101.02458	1.1
103.00401	2.5
104.00684	0.4
110.02473	1.5
117.03441	0.5
119.05029	80.8
120.05370	2.1
122.16068	0.4
128.03555	0.5
129.01923	2.3
133.06497	0.4
141.01909	0.5
145.02957	3.7
159.03023	0.4
161.34879	0.3
163.04008	100.0
164.04388	2.7
177.04030	9.6
195.05130	1.0
205.04984	0.5
323.07657	0.7
325.09259	13.0
326.09683	0.6
341.08688	0.9
467.11789	0.8
503.14072	16.9
504.14450	1.4
512.77014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.03438	1.4
58.00591	1.3
59.01076	0.8
59.01381	26.7
61.98829	100.0
65.10838	0.5
69.03458	0.8
69.35283	3.1
71.01383	27.3
71.04999	0.6
72.99324	2.4
73.02942	7.1
75.00863	1.4
83.01386	2.3
85.02948	8.6
87.00874	1.5
87.04525	0.9
89.02450	16.8
93.03474	0.6
95.01408	2.1
97.02981	1.7
99.00875	4.4
99.04476	0.8
99.92595	0.8
101.02441	17.3
103.00365	3.6
108.06773	0.4
111.00845	0.9
113.02445	9.2
115.03952	0.9
116.92921	0.9
119.03503	5.2
119.04991	0.6
120.75328	0.6
123.08231	0.5
125.02475	2.2
131.03510	2.0
135.04555	0.7
136.07719	0.8
137.09720	1.4
143.03514	1.4
149.04585	2.5
155.10788	8.2
159.03008	0.9
161.04539	6.3
169.12375	0.6
179.03612	0.5
179.05652	2.0
191.05695	0.8
199.09776	5.8
233.06718	1.1
239.94756	0.5
241.10725	1.4
255.02882	0.5
283.11871	1.5
284.12585	0.5
285.04187	0.6
293.08862	1.3
301.12888	0.9
327.21439	0.6
341.26984	0.8
359.27945	1.4
361.15015	0.9
371.20673	7.4
384.51782	0.5
397.93082	0.5
439.57141	0.6
440.19272	19.8
441.19681	1.1
485.31113	1.0
503.25070	51.0
503.32205	8.2
504.18521	0.6
504.25400	3.3
504.32132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.5
59.01382	50.3
61.98827	3.0
63.04734	0.6
71.01374	5.2
71.52247	0.8
72.99310	0.7
73.02943	29.4
73.13219	0.6
75.00887	1.3
82.37794	0.5
83.01402	1.9
83.05012	1.4
85.02955	2.5
87.04505	4.9
89.02452	1.6
94.02977	0.8
97.02959	3.5
99.00896	1.0
99.04533	2.5
101.02457	4.5
103.00375	93.5
104.00702	1.6
113.02462	3.2
125.02432	0.9
125.84206	0.6
131.03526	0.7
134.03732	1.9
149.06097	2.0
175.02571	1.0
193.12331	1.3
219.68665	0.7
235.13467	1.0
235.53563	0.8
243.12347	1.7
247.17012	1.1
253.14438	17.0
255.03036	2.1
265.18155	4.4
267.15997	10.3
283.02475	2.3
285.04150	1.3
293.17276	0.7
299.05325	1.0
309.17068	4.1
309.20166	0.6
327.18109	100.0
328.18402	5.4
369.19183	13.9
370.19586	1.0
376.02097	0.7
381.18790	0.6
399.20200	5.8
427.92169	0.7
459.22418	7.7
503.12415	1.4
503.20905	20.4
504.21689	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	503.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
59.01377	100.0
60.01704	1.9
61.98830	12.2
71.01379	19.3
73.02943	8.8
78.91879	5.4
79.13261	0.7
83.01377	2.7
85.02941	7.4
87.00879	1.9
89.02441	11.7
95.01408	2.0
99.00842	1.4
101.02444	11.7
103.00364	14.6
106.06622	1.1
108.08202	2.0
113.02444	14.5
117.96497	0.9
119.03493	3.5
119.15091	0.8
122.39314	0.9
125.02464	1.3
127.23487	0.9
130.08769	1.1
131.03496	2.1
132.04549	1.7
139.11267	1.6
143.03479	1.7
145.13335	0.9
152.07114	0.9
161.04608	4.9
179.05591	1.9
183.10236	1.4
205.18494	1.0
216.41365	0.9
243.12518	1.0
253.14012	1.4
255.02905	2.5
267.15866	1.0
273.33072	1.0
283.02475	1.6
284.03168	1.5
285.04022	2.7
295.10953	1.3
297.12585	2.3
323.10223	1.9
327.18045	3.5
327.21487	1.6
341.11249	1.3
343.96106	1.1
373.25916	4.8
399.23819	10.7
417.24988	5.8
459.26050	2.7
489.10336	3.6
503.16467	4.9
503.23550	12.1
503.32159	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	503.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.5
57.75505	0.9
59.01379	100.0
61.98834	8.7
69.74935	2.9
69.75350	2.6
71.01378	16.1
71.05010	1.2
73.02946	4.4
83.01377	2.6
85.02951	6.4
87.00887	1.2
87.04493	1.3
89.02425	5.8
95.01392	1.9
98.19933	1.2
99.00845	1.0
99.04520	1.7
101.02460	10.8
103.00380	7.7
103.00958	1.2
113.02448	6.2
116.90775	1.0
119.03475	1.9
125.02405	2.3
125.09769	1.1
130.08696	1.6
133.06593	1.3
143.03577	1.5
161.04529	4.2
163.01906	0.9
183.10370	1.2
220.71465	1.0
227.03662	1.1
255.02986	2.2
283.02518	1.3
284.03302	2.0
285.03903	1.5
305.08145	1.1
373.25848	4.7
399.23669	7.0
417.24936	6.4
443.26553	1.3
459.26166	1.8
489.10422	3.5
503.24707	4.7
503.32156	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	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
58.00629	0.9
59.01379	100.0
60.01694	1.2
61.98833	9.4
71.01377	15.0
71.51987	1.8
73.02942	2.7
73.24178	0.9
83.01382	1.7
85.02947	6.0
87.00877	1.2
89.02464	6.2
95.01387	1.4
97.02958	1.3
99.04486	1.1
101.02452	10.2
101.06087	1.7
103.00369	9.3
113.02428	6.1
113.90755	0.8
119.03487	1.0
125.02467	1.6
133.06612	1.2
134.06993	1.3
135.04536	1.1
143.03487	1.8
146.08229	1.4
155.66673	0.9
161.04535	3.5
167.61009	0.9
179.05577	1.8
227.03487	1.5
255.02974	2.1
277.12305	1.2
284.03131	2.2
285.03928	2.0
295.75204	1.0
304.53226	1.2
373.25897	3.3
381.22253	1.1
399.23932	6.1
417.24863	6.6
459.25784	1.4
489.10257	3.1
503.24823	2.9
503.32172	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73320	0.2
52.07000	0.3
55.01881	3.1
57.03443	3.7
58.00600	2.5
59.01379	65.3
60.01712	0.4
61.98829	2.7
67.01885	0.4
69.03462	0.9
70.58492	0.5
70.58827	0.6
71.01379	67.0
71.05020	0.4
72.01720	0.5
72.99305	4.9
73.02945	12.7
75.00877	1.1
81.03474	0.5
83.01385	6.3
84.02177	0.5
85.02950	25.1
86.00097	0.4
86.03280	0.4
87.00874	3.2
89.02444	41.1
90.02794	0.3
95.01388	5.9
97.02948	1.0
97.06588	0.3
99.00881	4.7
99.04553	0.3
101.02438	45.5
102.02782	0.4
103.00378	0.8
111.00879	2.2
113.02448	28.4
113.09786	0.3
114.02796	0.4
119.03496	19.3
125.02438	1.2
129.01956	1.1
131.03499	1.8
141.01949	0.4
143.03502	4.7
149.04547	1.6
149.06113	0.3
153.12862	0.6
157.12318	1.5
159.02986	3.5
161.04552	16.9
165.12833	0.6
165.79622	0.3
179.03531	0.3
179.04036	0.4
179.05623	4.7
183.13905	0.4
201.14983	0.4
205.03604	0.3
212.14250	0.4
311.25848	0.4
323.25879	1.5
341.26935	13.1
342.27286	0.6
467.30301	0.4
485.31177	6.9
486.31833	0.7
503.32251	100.0
504.32562	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.1
57.03447	2.1
57.39066	0.4
59.01379	17.4
61.28374	0.3
61.98812	0.5
69.16618	2.8
69.54311	0.3
71.01381	20.3
72.99314	1.0
73.02947	6.4
77.15955	0.3
78.29771	0.4
83.01389	3.8
85.02950	11.5
86.00079	1.1
87.00885	0.8
89.02438	5.4
95.01377	2.4
99.00880	2.8
101.02444	13.2
111.00896	1.3
113.02449	7.6
119.03508	1.2
125.02454	0.4
129.02002	0.4
157.12369	0.8
159.02982	0.8
161.04532	1.3
212.21509	0.3
325.87320	0.4
331.72964	0.4
438.49780	0.3
475.99103	0.3
503.32251	100.0
504.32578	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	503.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62584	0.2
55.01881	2.5
57.03457	2.3
58.00597	0.5
59.01384	14.8
61.98832	1.9
65.91911	0.2
70.08876	0.5
70.09242	0.9
71.01383	21.8
72.99305	1.3
73.02943	7.4
73.03356	0.3
74.81755	0.3
81.03453	0.3
83.01389	3.8
85.02953	11.9
86.00100	1.0
87.00865	0.7
89.02443	4.1
92.44257	0.2
95.01398	2.6
96.03159	0.2
97.02963	0.4
99.00885	2.6
101.02444	13.8
101.40139	0.3
103.00343	0.3
111.00887	1.5
113.02453	8.2
119.03480	1.3
125.02444	0.4
129.01926	0.3
129.77843	0.2
140.75095	0.3
143.03496	0.4
145.04735	0.3
159.02965	0.9
161.04565	1.7
174.01726	1.7
185.15518	0.6
195.82991	0.3
341.27112	0.4
366.65961	0.3
459.33264	0.8
503.32266	100.0
504.32529	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	504.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06345	0.3
59.01377	21.7
60.01700	1.8
61.98829	100.0
68.19352	0.3
69.16446	0.4
70.08327	1.2
84.31219	0.3
90.67146	0.3
93.34709	0.4
114.70155	0.3
119.75777	0.4
126.55760	0.3
157.03554	0.4
159.03380	0.5
174.99246	5.0
175.99619	1.0
177.96742	0.5
178.98528	0.4
201.02533	2.7
202.02754	2.9
203.02310	2.7
203.98193	0.6
203.99980	6.7
204.02690	1.1
217.00279	19.8
218.00641	6.3
219.00604	1.5
219.97739	55.4
220.99617	1.4
224.14337	0.3
241.19142	0.4
264.71216	0.4
294.45288	0.4
334.98691	0.4
346.00690	0.6
359.01437	1.5
360.01657	7.4
360.08636	0.4
360.97101	0.5
361.01318	7.4
361.98700	29.1
362.99088	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	505.0985
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01368	0.4
63.02390	0.5
65.00314	1.4
66.59859	0.3
67.50265	0.3
69.50613	1.8
72.99229	0.3
78.10335	0.3
83.01398	1.0
91.01905	0.5
107.01388	2.9
108.02194	1.7
108.02813	0.3
109.02957	1.4
117.65912	0.3
120.02129	0.4
121.02959	2.1
130.21777	0.3
135.00867	0.8
148.01637	1.8
151.00354	9.9
156.21687	0.3
156.91942	0.3
158.36517	0.3
159.04498	0.3
163.00415	2.4
164.01106	0.6
167.05009	0.3
175.04082	0.4
178.99847	4.7
183.04497	0.6
187.03882	0.5
192.00754	0.5
198.03113	0.4
199.03955	1.0
201.05620	0.4
203.03485	0.6
211.03931	1.6
212.04486	0.3
215.03410	0.8
216.04266	0.5
226.02678	1.7
227.03450	3.4
228.64316	0.3
229.05023	0.6
239.03348	0.3
243.02968	11.7
244.03447	0.7
245.04472	1.2
254.02126	2.3
255.02972	28.2
256.03351	1.4
269.01505	0.4
271.02454	58.5
272.02927	4.0
273.03973	1.3
283.02396	1.4
299.01923	1.4
300.02725	100.0
301.03461	42.9
302.03876	2.0
343.04309	0.5
463.08810	3.6
505.09854	83.9
506.10168	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	505.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
59.01379	15.4
61.98832	17.7
71.01382	3.5
71.51849	0.6
71.52221	0.7
72.99306	0.8
73.02949	1.1
74.53005	0.6
75.00885	1.3
83.01400	0.7
85.02946	1.5
87.00871	1.0
88.98835	0.7
89.02454	2.3
95.04937	0.6
99.04508	0.6
101.02438	2.3
103.00374	100.0
104.00682	0.6
106.04240	1.1
107.05047	4.0
108.02149	0.7
111.00946	0.5
113.02451	0.9
113.03614	0.6
115.00382	0.6
115.65760	0.5
117.03500	0.8
119.05025	15.2
120.05304	0.6
121.02972	1.1
123.04555	1.6
128.03561	1.4
130.08754	0.9
132.04547	1.1
133.06589	1.3
134.03748	3.9
134.06128	1.0
135.04526	16.2
135.06236	0.6
145.02968	2.9
147.04578	0.7
149.05954	0.7
161.04669	0.9
161.06087	2.1
163.04012	12.6
165.05589	2.5
170.98637	0.5
175.02539	1.4
205.05080	2.3
207.08119	1.2
207.29254	0.6
208.08916	2.5
209.09709	2.0
227.13986	0.6
235.05977	1.2
237.09152	6.3
267.10175	1.1
281.05078	0.7
281.08170	11.9
300.02762	0.9
323.09134	3.7
329.10266	5.4
353.10165	0.8
371.11737	0.7
442.26471	0.8
458.32205	0.6
462.23752	1.0
474.70270	0.6
505.12665	7.9
505.26813	3.9
506.14053	0.8
516.84863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.3
69.99309	1.5
69.99695	1.0
78.95901	16.1
89.21738	0.5
96.96944	1.1
115.52917	0.5
152.99583	26.8
171.00629	2.0
227.03264	4.1
233.22623	0.6
245.04317	2.1
259.20804	0.6
275.20160	0.7
275.94183	0.5
277.21719	100.0
278.22052	5.7
279.23178	0.9
280.23532	2.2
376.17184	0.5
397.06570	0.5
467.81619	0.5
505.25699	54.0
506.26160	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	505.2572
Annotation	Amoritin
Peak:m/z	Relative Intensity
50.62308	0.5
59.01363	1.3
61.24329	0.4
70.69476	1.4
71.01396	0.5
78.95902	25.0
96.96967	1.7
98.11349	0.5
101.01024	0.5
146.76692	0.5
150.67494	0.5
150.98048	0.6
152.99586	37.9
157.39954	0.5
171.00616	2.2
227.03246	6.5
233.22685	0.8
245.04323	0.8
259.20956	0.7
275.20209	0.8
277.21707	100.0
278.22052	4.5
413.21048	1.3
505.25708	81.5
506.25974	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	505.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.0
57.03446	3.4
58.00595	0.9
59.01379	25.0
61.98844	1.4
65.43322	0.3
69.03473	0.6
71.01381	43.1
72.99310	1.8
73.02945	11.4
75.00873	1.0
79.35011	0.2
81.03455	0.3
83.01384	6.4
85.02948	19.4
86.00117	0.6
87.00871	1.9
89.02443	11.1
93.05933	0.2
95.01387	3.7
97.02985	1.1
98.19805	0.4
99.00879	4.8
99.04520	0.3
101.02443	26.9
102.02783	0.3
111.00887	3.0
113.02446	16.0
119.03493	4.1
119.04938	0.2
121.10201	0.5
125.02452	0.9
127.11291	0.3
129.01933	1.1
131.03529	0.6
135.11777	0.5
139.00398	0.3
141.01913	0.4
143.03493	1.5
143.04498	0.3
149.04594	0.3
157.12401	0.4
159.03008	3.5
161.04558	11.6
171.13875	2.1
176.30653	0.3
179.05608	1.1
185.15427	0.3
201.14917	0.4
205.03525	0.4
255.02838	0.3
271.02466	0.5
300.02631	0.6
301.03455	0.4
333.19162	0.6
343.15228	0.3
343.28467	5.9
347.20670	0.3
473.05731	0.3
475.32916	1.0
487.32855	0.7
503.32028	0.3
505.33813	100.0
506.26706	0.6
506.34152	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	506.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47435	0.4
59.01375	3.6
61.48764	0.4
61.98830	100.0
71.01373	2.6
71.38673	0.5
71.45072	0.4
71.50590	0.8
72.34512	0.5
85.02962	0.5
87.00906	0.6
89.02424	2.2
94.58457	0.4
101.02464	1.6
103.00401	0.7
113.02460	0.6
115.00389	0.6
115.92095	1.0
116.92850	1.1
119.03492	0.7
120.01319	0.5
128.03563	1.0
128.48627	0.5
138.05595	0.6
154.72270	0.4
175.02516	0.9
188.23070	0.5
199.78186	0.4
252.08008	1.1
267.10321	2.0
297.11221	0.7
315.12515	0.7
443.19162	22.7
444.19589	1.6
451.21164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25143	0.6
57.53825	0.8
59.01378	6.7
61.98828	6.0
69.03461	0.6
108.08202	6.5
121.05323	6.3
134.06154	1.1
135.03293	1.1
136.07681	91.1
137.08057	1.8
150.01961	0.7
152.03569	1.1
153.04335	2.7
200.03432	0.6
213.37758	0.6
222.08035	0.7
223.06421	0.9
225.06631	0.9
225.10320	0.9
237.06665	1.3
237.10503	1.2
238.07317	1.2
239.08174	1.1
249.06903	1.0
250.07262	0.6
251.08234	2.8
252.05411	1.8
252.09146	1.1
253.09798	3.6
263.08261	1.4
265.06076	4.3
265.09784	2.5
266.06931	10.0
267.11487	0.8
270.11478	1.0
277.05957	1.2
278.07056	4.4
279.07779	2.6
279.11295	0.6
280.08524	2.7
281.09311	27.3
282.09729	1.3
284.08060	0.8
293.09311	22.8
294.10022	2.5
301.03027	0.6
313.11917	13.9
314.12250	1.1
325.12125	2.0
338.12842	1.4
373.14197	0.8
402.18222	3.5
430.17624	11.2
431.18127	1.2
434.20795	2.3
462.20401	17.5
463.20651	1.2
474.16608	4.9
478.20255	1.5
488.18381	2.6
506.19330	100.0
507.19617	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	506.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79870	0.6
59.01379	48.1
60.01697	2.0
61.98833	11.4
70.21951	0.6
70.22277	2.5
71.01377	4.7
73.02950	1.2
83.01388	0.9
85.02950	3.6
87.47684	0.6
95.70766	0.5
97.02956	0.7
99.00926	0.6
101.02446	2.3
108.08206	6.1
113.02441	1.7
121.05322	7.7
122.97114	0.6
123.83568	0.6
125.02316	0.6
134.03745	1.7
135.03242	0.9
136.07680	100.0
137.08035	2.1
139.12492	0.6
149.06081	2.2
150.01900	0.9
150.06953	0.8
152.03517	0.7
152.31050	0.5
153.04298	4.5
153.79373	0.7
161.04553	0.7
164.01302	0.5
189.35556	0.5
195.06889	0.7
209.07246	0.7
210.07843	1.4
213.10364	0.9
222.07971	0.6
223.08760	1.0
224.05894	1.2
225.06700	1.8
225.10332	1.1
235.08722	0.8
237.06656	3.0
237.10336	3.0
238.07083	3.0
239.08159	1.3
250.07233	0.9
251.04665	0.7
251.05684	0.8
251.08192	5.6
252.05505	1.0
252.08923	1.2
253.09822	5.7
263.08344	2.7
265.06155	6.5
265.09451	3.1
266.06949	13.2
270.11328	0.9
277.06317	1.4
278.06924	5.5
279.07782	4.6
280.08569	5.0
281.09299	62.6
282.09689	3.0
284.07968	1.2
293.09302	37.7
294.10007	5.5
295.10419	1.0
297.37939	0.6
307.07391	0.7
313.11963	6.6
372.99329	0.6
402.18304	3.4
430.17682	85.6
431.18024	6.8
445.31552	3.4
446.32147	4.1
462.20383	7.2
463.32639	3.9
464.32944	2.5
474.16675	28.6
475.16977	2.0
488.18268	0.9
505.33731	1.1
506.19308	35.9
506.33627	2.0
507.19659	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	506.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89575	0.3
56.45828	0.4
59.01368	0.9
61.98832	1.2
69.74854	1.4
71.01376	0.9
71.67169	0.4
80.05077	0.6
87.61274	0.4
101.02432	0.5
102.03519	0.6
102.35264	0.4
106.06625	11.7
107.06998	0.4
108.04554	0.4
116.05013	0.5
120.04549	0.4
122.06104	3.9
130.03012	0.6
132.04555	7.6
134.06123	100.0
135.06462	2.1
136.07675	0.7
144.04541	0.8
146.02454	0.5
146.06128	0.7
147.03255	1.3
148.04057	0.7
148.07686	1.1
150.05623	1.4
158.02464	4.4
158.06111	0.8
160.04047	4.3
161.04663	0.5
162.05621	3.0
172.04073	0.6
172.11218	0.4
173.07152	0.6
174.05632	1.0
176.03531	4.3
176.07135	1.0
184.07611	0.8
190.05098	16.0
191.05659	1.1
192.06606	0.4
196.11411	0.4
198.53940	0.3
211.06448	0.4
211.08672	0.6
211.12398	1.8
212.10904	0.6
215.11839	1.8
221.07277	0.4
223.08755	2.7
224.09464	3.1
225.08015	0.5
226.07420	0.5
227.08223	0.6
227.11842	0.7
235.08763	2.5
236.09543	0.8
237.10307	0.9
238.11115	0.5
239.08189	1.1
239.11900	11.5
240.10315	2.7
240.12274	0.5
241.09914	1.5
249.06458	0.8
249.10291	4.1
250.07571	0.5
250.11058	1.0
251.11905	2.5
252.10133	0.8
253.06169	4.3
253.08665	0.5
253.09822	0.6
255.07785	1.1
255.11345	1.3
263.08191	0.9
265.09741	1.4
266.07172	0.7
267.07709	3.1
267.11191	0.6
268.08530	3.3
271.10843	0.6
277.07117	0.4
277.09818	2.4
279.08142	1.8
279.11337	1.6
280.08585	2.0
281.09186	1.9
282.09998	0.8
283.10876	41.3
284.11282	2.0
291.07846	0.8
293.09369	0.5
294.10052	2.3
295.08093	0.3
295.10880	8.2
296.11353	0.5
305.09302	2.2
306.10016	0.9
307.10837	1.2
309.08826	1.9
309.12256	0.9
315.13461	1.1
317.13266	0.4
323.10403	3.3
327.13446	0.8
329.17670	0.4
337.11884	3.5
338.12656	0.7
387.17120	0.4
400.12924	0.9
402.14166	0.4
402.18668	0.6
414.14438	0.7
428.16275	0.8
430.17691	38.6
431.18124	3.2
456.15738	1.9
462.20328	6.6
463.20169	0.5
474.16678	72.8
475.17053	6.6
488.18430	0.5
506.19312	42.2
507.19696	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	506.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
68.75704	2.7
69.36079	8.3
69.36507	7.3
74.21281	2.3
141.59770	1.9
171.87599	2.4
194.23631	2.0
200.64395	2.1
204.84608	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	507.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
59.01380	12.1
61.98832	3.4
69.92401	1.5
69.92765	0.8
70.32456	0.4
70.34013	0.4
71.01377	7.7
73.02942	3.4
73.52034	0.4
85.02954	1.8
86.97934	0.5
87.00873	0.8
87.04515	4.2
89.02444	7.1
93.03434	0.8
95.05018	0.6
97.02958	1.2
98.20550	0.8
98.53992	0.4
99.00867	2.7
99.04551	0.5
101.02444	5.4
103.04092	0.4
109.02898	0.7
112.24213	0.5
113.02488	2.0
115.04027	0.5
118.96580	0.5
119.05025	100.0
119.95049	0.4
120.05341	2.6
125.06087	0.6
131.03496	1.2
132.29752	0.5
137.09729	3.5
139.07689	0.8
149.02432	0.5
149.04553	4.3
151.11356	0.5
155.10770	18.9
159.04498	0.6
161.04500	1.0
163.04005	61.5
163.11253	1.0
164.04344	1.4
169.12315	1.3
175.02461	0.4
179.05551	0.6
179.10797	2.2
179.45779	0.4
181.08673	1.9
181.12372	1.0
191.05634	0.8
191.10793	1.0
193.12337	0.8
195.10216	0.6
199.09744	21.4
200.10020	0.6
211.13269	0.6
213.11307	1.3
213.44122	0.4
223.09782	0.8
225.11267	1.9
237.11278	0.6
241.10806	5.8
251.68900	0.5
253.10913	2.2
255.12405	1.5
283.11880	11.2
284.12338	0.6
293.08466	0.5
327.14438	0.8
333.19940	0.5
334.01068	0.5
343.13953	9.3
447.22366	9.8
477.18631	0.9
490.85687	0.5
507.18689	23.0
507.29831	0.6
507.35135	1.4
508.19135	1.6
513.30646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97520	0.7
57.03437	1.4
59.01379	73.8
60.79272	0.7
61.07694	0.7
62.60694	0.7
69.71466	3.6
71.01385	4.9
71.01718	0.8
73.02938	10.1
76.14713	0.7
85.02970	1.4
98.19861	0.6
101.02449	8.0
101.08366	0.7
109.72303	0.6
119.04990	1.8
137.09717	0.8
139.11296	28.6
140.11617	0.9
145.02901	1.5
163.03992	1.5
165.09264	1.3
169.12259	1.0
181.12346	14.6
181.13947	0.9
183.10262	31.8
184.10632	1.4
199.13422	3.3
222.31531	0.8
224.01733	0.8
225.11302	15.3
230.06450	0.8
243.12366	100.0
244.12723	5.3
257.13965	2.5
285.13437	29.0
286.13705	1.4
297.13129	0.7
302.17587	6.6
315.14532	10.3
316.14725	1.1
345.15533	48.2
346.15878	2.4
365.65134	0.7
387.16470	1.1
405.17630	42.5
406.17780	3.3
447.18411	4.4
507.20782	12.5
507.27258	1.0
508.21613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
58.00589	1.2
59.01381	13.4
61.98826	2.9
69.31177	2.2
69.31589	1.0
71.01379	9.8
72.99315	0.8
73.02940	3.2
75.00882	0.6
83.01388	0.9
85.02952	3.2
87.00864	0.9
87.04514	5.5
87.67489	0.4
89.02442	11.8
93.03464	0.7
95.01390	0.5
97.02961	1.2
99.00883	2.2
99.04536	0.5
101.02454	6.2
103.00380	0.7
103.36342	0.4
109.02914	0.8
113.02450	3.1
119.05026	100.0
120.05376	2.7
125.02448	1.2
125.06068	0.9
131.03494	1.4
135.08173	0.5
137.09702	3.7
139.07616	0.8
141.09105	0.4
143.03555	0.5
149.02631	0.4
149.04546	5.4
149.05815	0.5
149.06038	0.4
155.10771	19.8
156.11090	0.4
159.04495	0.5
161.04517	0.8
163.04004	59.2
163.11287	0.6
164.04327	1.7
167.10732	0.6
169.12323	0.7
172.31456	0.4
175.07637	0.5
177.09189	0.4
179.05602	0.9
179.10802	1.9
181.08684	2.0
181.12309	1.3
191.05511	0.9
191.10818	1.3
193.12326	0.5
195.10246	1.4
199.09749	20.6
200.10077	0.7
211.13358	0.9
213.11273	0.8
223.09731	0.8
225.11311	2.2
237.11182	0.5
241.10793	5.5
242.35231	0.4
251.07440	0.8
253.10918	2.0
255.12421	1.4
267.19678	1.4
269.08160	0.6
283.11847	10.3
311.18912	0.8
327.14426	0.6
343.13974	6.8
367.29373	0.4
447.22314	13.6
448.22537	0.6
462.49734	0.4
477.19077	1.2
507.18683	23.2
507.34558	1.6
508.19019	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
57.03437	2.1
59.01381	38.7
59.06752	0.8
60.99307	5.1
61.98829	6.1
69.03447	0.8
71.01380	33.9
71.52559	1.3
72.99304	1.5
73.02947	8.8
75.00881	0.7
83.01377	3.0
83.04476	0.7
83.05015	1.0
83.14997	0.8
84.95134	1.2
85.02953	12.0
87.00863	2.2
88.50143	0.7
88.98809	38.4
89.02444	25.4
95.01384	2.0
97.02951	1.8
97.49678	0.9
99.00881	3.3
101.01806	1.6
101.02448	23.6
101.03104	1.5
111.00867	1.7
113.02445	11.3
119.03520	2.0
119.05020	1.4
125.02445	1.8
131.03494	9.1
143.03523	1.0
149.04565	3.9
152.07130	0.9
159.02969	2.2
161.04549	7.5
186.36136	0.8
191.05632	0.8
215.05537	0.8
233.06755	1.5
297.17105	0.8
315.18121	15.1
447.22324	100.0
448.22681	8.1
507.27463	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
57.03445	4.5
58.00586	2.1
59.01380	46.7
61.98817	1.3
69.03437	1.6
69.30216	4.2
69.30626	1.5
70.05180	0.7
71.01382	36.1
72.99304	1.6
73.02946	9.8
83.01377	5.1
85.02950	12.3
87.00856	2.3
89.02442	23.5
95.01373	1.5
97.02924	1.8
99.00915	3.5
99.01453	0.7
99.04525	2.3
101.01804	1.5
101.02441	24.1
111.00880	2.3
113.02451	10.9
119.03464	1.7
125.02430	4.5
130.86302	0.8
131.03505	10.9
143.03474	1.1
148.05275	2.9
149.04550	8.6
151.99318	0.8
159.02896	1.2
161.04552	9.5
163.07632	3.5
191.05586	2.7
201.49913	0.9
219.70412	0.9
233.06679	1.3
293.08801	2.1
293.56912	0.8
315.18085	12.6
325.80603	0.8
375.27563	3.8
429.53009	0.9
442.87732	0.9
447.22321	100.0
448.22797	7.0
469.17270	1.0
507.32248	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
56.32846	0.3
57.03472	0.4
59.01379	100.0
59.35858	0.3
60.01722	1.1
61.85915	0.3
61.98834	2.4
69.32004	2.8
70.65114	0.3
71.01383	4.1
73.02949	1.4
75.28323	0.3
75.92587	0.3
83.01372	0.5
85.02955	2.6
95.01431	0.3
99.00884	0.6
101.02451	2.8
102.72187	0.4
113.02466	2.4
142.41100	0.3
161.04601	1.3
229.00240	0.4
239.13072	0.4
291.17175	0.4
447.27493	0.4
465.28336	2.2
507.29813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17448	0.3
59.01373	0.9
68.82325	0.3
80.05042	0.5
85.36530	0.3
98.19940	0.8
102.03506	1.9
104.05029	0.5
106.06631	0.6
107.03738	0.3
108.08192	6.4
121.05334	5.7
122.06112	3.6
130.03006	0.4
131.03664	0.3
132.04549	6.6
134.06108	1.4
135.03270	0.8
136.07675	100.0
137.08025	2.3
144.04543	0.8
146.02499	0.6
147.03258	1.0
150.01898	0.4
150.05621	1.7
150.09193	0.6
152.03534	0.3
153.04343	1.8
158.02472	2.2
160.04037	4.6
161.04721	0.4
162.05617	1.9
163.02716	0.3
164.07159	0.7
168.06760	0.4
172.04016	0.9
174.05598	1.2
175.08739	0.7
176.03506	4.1
176.07140	0.6
181.07385	0.4
183.09262	0.4
184.07643	0.3
190.05067	8.0
191.05788	0.9
196.11282	0.4
199.08737	0.4
202.05051	0.3
211.08705	0.4
211.12343	1.8
212.05725	0.3
212.10815	0.4
213.06709	0.3
213.10405	0.4
215.11867	2.3
223.08733	4.7
224.07341	0.4
224.09460	4.1
225.06419	0.4
225.10068	0.4
226.07336	0.5
227.08296	0.8
227.11807	0.4
236.09514	1.2
237.10318	1.0
238.11043	1.2
239.04710	0.4
239.08162	0.8
239.11868	15.8
240.10371	3.0
240.12379	0.5
241.09850	2.4
241.13326	0.5
248.38440	0.3
249.06705	0.3
250.07532	0.6
251.08267	0.4
251.09113	0.5
251.11871	5.9
252.10184	1.0
252.12546	0.7
253.06174	4.5
253.09813	1.0
254.06909	0.8
255.07759	1.1
255.11392	2.0
265.06760	0.6
265.09818	2.6
266.07047	0.6
267.07706	3.8
267.11371	1.1
268.08517	4.3
268.11801	0.6
271.10831	0.9
276.27289	0.3
277.09808	0.5
279.07770	1.0
279.11398	1.0
280.08569	2.1
281.09283	1.6
281.12802	0.8
282.10107	0.7
283.10861	43.1
284.11209	2.3
292.06369	0.3
293.09314	0.7
295.10852	9.6
296.11578	2.9
307.10892	1.3
308.11450	0.4
309.08704	1.2
309.12436	0.9
310.13223	0.3
311.14072	0.6
321.08640	0.5
325.11844	2.3
327.09885	0.5
339.13596	1.9
360.20917	0.6
376.16275	0.3
388.20163	1.0
404.19925	3.5
430.17532	2.2
432.19247	48.9
433.19522	4.0
448.18790	0.7
458.17203	2.5
464.22098	2.1
465.22269	0.5
476.18228	98.7
477.18582	9.5
494.29279	0.4
508.20874	14.2
509.21460	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43346	0.4
59.01367	0.4
71.52036	0.6
76.22552	0.6
80.05052	0.9
90.46098	0.5
102.03533	1.2
106.06628	0.5
108.08199	5.4
121.05330	7.0
122.06123	3.1
130.02997	1.1
131.03773	0.6
132.03574	0.6
132.04553	11.1
134.06125	1.2
135.03261	0.8
136.07678	100.0
137.08009	1.9
144.04596	1.3
146.02509	0.6
146.06064	0.7
147.03242	0.9
148.07713	0.5
149.06140	0.6
149.08524	0.6
150.05537	1.1
153.04356	1.7
158.02493	3.9
160.04018	4.8
162.05594	1.7
164.07227	1.2
172.04004	1.2
174.05623	1.0
176.03513	5.1
176.07144	1.1
184.07640	0.7
190.05092	14.6
191.05725	1.3
202.05116	0.5
203.05865	0.5
209.07301	0.6
211.12413	1.1
212.10751	0.8
215.11911	3.0
223.08704	3.8
224.07486	0.7
224.09402	3.2
229.13435	0.7
236.09561	0.8
237.10358	0.7
238.08708	0.6
238.11143	1.2
239.08202	0.8
239.11876	11.9
240.10355	3.7
240.12395	0.7
241.09785	1.4
251.11848	4.1
252.10323	1.0
253.06186	3.5
254.06850	0.6
255.07674	1.2
255.11517	1.4
265.06488	0.7
265.09787	2.3
267.07632	1.9
267.11432	1.0
268.08530	3.0
268.12137	1.0
271.10736	0.8
279.11353	1.3
280.08496	1.8
281.09393	1.1
281.13037	1.1
283.10873	36.1
284.11243	2.0
287.10477	0.5
295.10873	8.7
296.11520	4.2
297.12204	0.7
307.10831	1.4
309.08813	1.0
315.13663	0.7
321.08847	0.5
325.11938	4.5
327.13470	0.6
339.13507	4.1
340.14111	0.8
404.19696	3.3
430.17770	1.6
432.19260	42.2
433.19626	3.1
448.18701	1.3
458.17355	1.2
464.21915	9.7
465.21747	0.7
476.18240	81.2
477.18521	7.0
490.19894	1.0
508.20859	50.9
509.21173	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	508.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
63.48710	0.4
66.63864	0.4
98.19930	0.8
117.03478	1.8
119.05041	6.4
121.02964	1.4
132.72713	0.4
133.03001	0.5
145.02948	4.6
162.03271	0.5
163.03998	4.4
191.40579	0.4
302.17612	32.8
303.18048	1.5
390.15448	0.4
474.59464	0.4
497.05777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	5.0
59.01383	55.8
61.98833	31.6
69.03469	1.4
71.01381	10.3
71.53024	1.1
72.99328	1.5
73.02953	4.1
75.00850	0.9
79.05558	1.6
83.01405	1.0
85.02950	3.4
87.04510	2.3
87.54785	1.1
89.02454	4.4
97.02953	2.8
97.06585	2.5
99.04513	3.4
101.02438	2.8
103.00375	100.0
113.02457	2.0
121.06594	1.4
135.08173	3.9
137.09743	1.7
139.07597	1.9
139.11305	8.1
149.06113	1.6
151.11304	1.9
165.09149	1.0
167.10709	2.0
169.12309	1.6
181.12378	2.8
183.10292	8.8
195.13794	1.3
209.11758	1.5
219.17426	1.1
225.11288	6.8
243.12387	2.1
259.17136	2.5
285.13596	1.2
289.21872	1.6
303.18048	1.3
315.19586	2.6
318.76474	1.1
329.23322	2.3
333.20807	10.1
375.21515	2.5
447.31116	2.8
491.23007	3.8
509.23938	74.7
510.24103	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	509.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22866	0.2
52.75175	0.2
55.01879	0.6
57.03436	0.2
59.01381	100.0
60.01717	0.5
61.98832	1.8
69.44068	0.8
69.44498	0.6
71.01381	6.6
71.86264	0.2
72.99308	0.2
73.02947	2.3
83.01384	0.9
85.02950	3.6
89.02456	0.3
95.01416	0.6
97.02986	0.4
99.00896	0.8
101.02445	4.6
113.02450	2.8
133.26294	0.2
139.17203	0.2
143.03477	0.4
159.02995	0.5
161.04527	3.1
191.15742	0.2
209.11838	0.2
210.21053	0.2
449.29608	0.3
467.30200	1.1
509.31650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.5
59.19889	1.0
61.98829	81.9
69.20403	4.2
69.20820	6.2
70.21442	0.9
71.82664	1.0
83.13318	1.0
87.71572	1.0
98.19873	2.1
151.00343	1.6
211.04147	1.1
227.03473	34.1
228.03998	1.5
255.02971	46.7
256.03674	6.9
284.03232	55.5
285.04001	19.2
322.79196	1.2
442.60873	1.2
447.09286	100.0
448.09677	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	510.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38318	0.2
50.59090	0.2
58.39733	0.3
59.01372	0.8
61.98835	0.5
69.75586	1.0
73.02940	1.9
74.45085	0.2
75.74437	0.2
88.98782	0.3
89.02453	0.5
96.96001	0.3
99.00864	0.5
99.92585	7.9
100.85510	0.2
101.02486	0.3
116.03527	0.3
116.92863	100.0
117.01947	4.2
117.05594	0.8
117.92872	2.9
119.05008	0.3
134.00020	0.2
145.33539	0.2
149.04572	0.6
151.42923	0.2
153.02863	0.2
184.06146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77080	0.3
59.01377	0.6
61.98829	100.0
69.19087	3.0
71.03407	0.3
83.89592	0.3
88.04346	0.4
88.54507	0.4
88.55112	0.3
98.19836	0.5
100.01924	0.3
121.02939	2.1
122.03323	1.0
153.95625	0.3
159.37111	0.3
286.93729	0.3
318.87885	0.3
450.23062	0.4
450.32245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.3
59.01383	1.9
61.98830	100.0
65.05234	0.2
69.31895	1.9
71.01379	0.8
73.02967	0.2
73.52380	0.2
83.01352	0.2
85.05420	0.2
88.98825	0.6
89.02464	0.5
97.08492	0.2
99.04518	0.3
101.02431	0.6
103.00376	0.4
119.05048	0.9
120.05418	0.3
121.02944	0.4
125.02461	0.2
136.07724	0.4
152.41127	0.2
161.04610	0.2
163.04088	0.5
224.43680	0.2
253.05835	0.3
255.02878	0.3
282.06464	0.3
283.10910	0.4
284.03375	0.4
285.04156	0.8
311.10471	0.7
342.12531	0.2
405.13531	0.7
419.14862	0.3
434.17242	3.8
435.17502	0.4
447.09177	0.4
450.24100	0.3
460.14874	0.3
467.17926	0.3
478.16119	3.0
510.18341	1.4
511.25858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64816	0.4
59.01374	2.0
60.99309	14.9
61.98831	3.7
71.01381	1.0
72.69529	0.4
73.02924	0.6
85.18393	0.4
87.00880	0.6
88.00410	1.4
88.98808	100.0
89.02444	11.5
89.99149	1.1
101.02424	0.7
113.02459	0.7
115.07609	0.4
121.89076	0.4
135.04535	0.8
140.12131	0.5
144.50140	0.5
151.24481	0.4
421.20847	0.8
479.16818	0.7
511.19504	1.0
512.09583	0.5
512.17279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11576	0.5
57.03420	1.0
57.04288	0.5
58.90111	0.4
59.01381	28.4
61.98830	1.2
63.84573	0.4
64.14935	0.5
71.01377	2.7
71.90485	0.5
73.02945	7.2
77.03961	1.1
78.88184	0.5
83.01397	6.8
85.02974	1.3
87.04512	2.1
93.03474	1.2
95.05022	5.2
98.19767	0.9
101.02444	3.6
105.03438	2.6
109.06606	1.0
119.05064	0.8
121.02960	1.4
122.03738	0.8
123.04527	100.0
124.04848	1.4
137.09726	1.4
139.07672	0.9
139.11287	8.5
147.04541	0.9
149.02455	1.0
149.06120	0.5
151.11319	1.7
155.10803	2.6
163.11267	1.1
165.05547	3.0
165.09265	1.0
167.10793	0.7
167.52863	0.5
169.12331	2.3
179.10780	1.8
180.43439	0.5
181.12338	4.4
183.10274	12.8
197.11844	1.6
199.09813	1.2
207.10239	0.8
225.11337	11.0
243.12373	7.1
249.11313	1.3
267.12433	1.1
285.13397	1.2
291.12469	1.6
297.12531	0.7
319.71777	0.5
327.14355	2.7
387.16666	4.1
404.31458	0.5
418.17776	0.7
436.18719	0.7
447.51892	0.6
467.19193	1.9
480.17911	1.4
493.20941	1.7
511.21930	84.0
512.22192	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	511.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.98830	100.0
69.71886	2.4
87.40242	0.5
100.55413	0.5
105.76141	0.5
115.24583	0.5
134.56148	0.5
242.38203	0.5
268.29568	0.5
428.91077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18853	0.9
57.03432	1.4
58.00577	2.4
59.01378	52.0
61.98829	10.0
69.03447	1.4
69.74397	4.6
71.01380	22.9
72.18253	0.8
72.99297	2.6
73.02943	18.6
75.00852	0.9
79.05523	2.6
81.03455	5.0
83.01391	4.7
83.04998	0.9
85.02945	9.2
87.00877	4.8
87.04494	1.8
88.98792	1.3
89.02438	16.0
93.03477	1.0
95.01374	1.4
101.02440	36.2
103.00355	2.7
103.04021	12.8
106.04221	1.2
108.02162	2.5
109.02358	0.8
109.02962	10.5
113.02441	4.2
115.04018	4.4
115.04698	0.9
116.92889	0.9
119.03512	6.4
119.04967	1.1
121.02941	3.3
121.06575	1.9
122.03735	4.6
123.04517	13.0
125.02420	3.1
127.03947	1.1
129.54549	0.9
131.03497	6.2
134.03775	0.9
135.04535	1.4
137.02457	8.2
137.06081	5.8
143.03476	8.7
145.05069	4.6
147.04512	8.5
150.03239	3.4
161.04588	1.4
161.06006	1.4
163.03934	1.8
163.06120	49.9
164.04831	1.3
164.06290	0.9
164.23375	0.9
165.05569	100.0
166.05928	3.2
167.03458	3.7
183.06615	19.9
193.05028	1.1
203.07100	4.8
205.07158	14.1
205.45885	0.7
221.08128	1.2
239.09190	2.2
246.19843	0.9
265.09210	4.7
265.66510	0.8
275.09256	1.9
281.60233	0.9
305.16031	3.3
313.10696	7.2
329.06741	1.6
331.11823	12.1
332.31967	0.8
349.12921	32.2
350.13199	1.9
414.98520	0.9
451.21698	20.3
511.11530	1.3
511.18066	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	511.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01693	0.3
57.03448	0.9
58.00583	0.6
59.01380	9.5
59.78685	0.3
61.98832	5.1
69.03455	1.1
70.52935	0.8
71.01382	5.4
71.05022	0.3
72.99318	0.3
73.02943	0.6
75.00869	1.3
76.22359	0.2
83.05023	0.8
85.02957	1.1
87.00898	0.5
87.04517	0.9
88.98787	0.3
89.02440	0.9
97.06577	1.8
99.04530	2.5
103.00373	100.0
104.00700	1.0
107.05013	0.8
111.04483	0.3
113.02439	0.4
115.00372	0.4
119.08675	0.9
121.06593	0.3
123.04528	0.5
125.09704	0.5
137.09740	3.0
149.09782	0.4
167.10741	1.7
172.22707	0.3
175.02425	0.5
177.09143	0.3
181.08652	0.8
181.12314	0.5
205.08893	0.3
278.09564	0.3
331.22638	0.4
335.22238	11.7
336.22559	0.8
349.23724	1.1
359.22336	0.6
376.84854	0.3
377.23309	2.9
389.23254	0.4
511.18149	0.5
511.25327	10.8
512.25720	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82730	0.3
57.03443	2.2
58.00597	0.7
59.01378	10.4
61.98828	4.9
69.03447	0.6
69.48429	0.2
71.01381	6.0
71.05006	0.3
72.99315	0.5
73.02959	0.9
75.00880	1.2
79.21374	0.3
83.05027	0.9
85.02968	1.1
87.04501	0.5
89.02448	1.3
91.44802	0.3
93.07116	0.3
95.05029	0.4
97.02970	0.8
97.06580	0.5
97.12757	0.3
98.19878	0.6
99.04514	0.7
101.02467	0.4
103.00371	100.0
104.00742	0.5
109.06568	0.8
111.04549	0.3
111.08186	0.5
113.02464	0.6
113.06094	0.4
115.40118	0.3
123.08101	0.6
125.02415	0.6
125.06046	0.3
127.07660	1.7
136.07674	0.5
137.06097	1.7
147.17932	0.3
151.11278	0.8
155.07121	1.5
169.08754	0.3
171.10133	0.3
175.02542	0.4
195.73682	0.3
203.18095	0.4
209.11806	0.8
211.13313	0.6
221.15421	1.2
247.16888	0.3
263.37625	0.3
317.21252	0.5
335.22260	7.0
336.22617	0.6
349.20236	0.4
349.23938	1.2
361.81067	0.3
377.23395	2.0
511.25449	13.7
512.25879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18497	1.0
57.03207	1.5
57.03449	21.9
59.01377	30.8
61.98832	16.3
62.44427	1.0
70.08724	1.0
71.01385	10.0
71.51113	1.1
71.51556	1.6
73.02952	5.7
83.01373	3.2
85.02931	3.4
87.00880	1.2
88.98792	2.0
89.02455	6.6
90.71751	1.2
90.81821	1.0
94.06615	1.4
99.04516	23.8
101.02442	13.2
108.04523	1.6
113.02422	5.4
119.03494	2.8
122.06117	12.5
123.04478	2.1
124.04052	3.3
124.07677	2.1
125.02454	12.7
137.09703	2.4
138.05603	6.7
140.07164	16.9
144.04588	6.5
146.06128	10.7
149.04555	1.9
150.05588	3.3
160.04054	1.9
161.04590	7.5
162.05583	3.1
164.07152	1.5
168.06642	1.9
172.04022	10.6
174.05597	6.4
176.07166	3.9
179.05582	2.3
188.07141	1.7
190.05067	5.2
197.97913	1.1
203.05847	1.7
204.06642	15.5
209.39096	1.1
217.09927	1.2
223.08664	1.7
225.14023	3.0
226.12259	1.6
229.13365	3.6
237.10304	2.2
238.11046	6.0
239.07974	1.3
240.08911	1.5
241.09808	2.3
242.97585	1.3
251.08197	1.5
251.11925	2.8
253.09761	3.0
253.13464	17.5
254.11661	4.8
255.11369	5.0
267.07703	13.4
267.11334	5.5
268.08252	1.3
269.12906	3.9
279.11453	2.7
280.08490	2.4
281.09351	7.3
282.10056	9.4
284.02893	1.2
285.03546	1.2
295.10876	13.3
296.11575	3.2
297.12411	61.9
298.12723	2.8
311.10275	2.7
323.10208	3.0
325.11823	1.4
328.10690	2.1
339.09869	1.3
341.11420	10.2
344.13919	1.2
372.96152	1.2
373.13968	2.4
374.18661	3.1
374.92615	1.3
391.16391	4.8
392.20218	2.2
407.73303	1.5
418.17776	29.8
419.16159	7.1
436.18729	59.7
437.19083	4.7
462.16577	15.9
463.15149	6.8
468.21249	3.2
480.17752	100.0
481.17926	10.7
494.19238	7.6
495.17850	2.6
512.20355	20.8
512.34515	3.2
513.27777	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	513.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.1
60.01591	0.7
61.53701	0.6
61.98818	4.1
63.02409	1.2
65.00320	9.0
66.39140	0.6
71.01376	1.0
81.03458	1.0
83.01386	6.9
97.02999	0.8
98.69124	0.7
99.04536	1.0
101.02418	1.0
103.00415	0.7
107.01388	14.4
111.39082	0.6
113.02428	0.9
119.05022	1.9
122.06149	0.8
124.01604	1.4
125.02446	43.5
126.02856	0.8
131.62059	0.7
134.03806	1.3
137.02505	0.9
137.09663	0.9
139.04083	0.7
140.07195	0.9
143.03473	0.8
146.06122	0.6
149.02411	1.3
149.06082	1.9
151.00363	100.0
152.00708	2.3
155.10750	2.8
163.03981	0.7
167.03523	0.8
168.00613	1.4
169.01416	76.7
170.01772	1.1
175.00357	2.2
179.10718	0.8
193.01419	4.0
196.51309	0.6
199.13921	0.7
204.06660	0.7
245.26474	0.7
253.13324	0.9
268.08063	1.1
297.12244	2.3
298.12793	4.1
313.10822	2.5
393.11966	0.9
394.25732	0.8
419.17877	1.7
437.19034	4.5
463.16727	1.5
480.17285	0.7
481.18066	7.4
498.25964	0.7
513.16040	83.5
514.16376	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	513.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19274	0.2
59.01382	0.7
61.98831	100.0
62.98534	0.2
68.97202	0.2
69.81529	0.5
69.81934	0.4
71.01379	0.7
73.02951	0.2
83.01403	0.3
84.49178	0.2
86.85898	0.2
88.98804	0.2
95.05042	0.2
96.48841	0.2
97.87906	0.2
101.02451	0.6
104.10632	0.1
113.02496	0.2
128.03676	0.2
135.04555	0.2
175.02550	0.4
179.03604	0.2
304.15591	1.1
307.17670	0.7
315.12445	0.2
318.17261	0.7
387.93195	0.2
453.23389	1.2
513.30353	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	513.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29278	1.2
57.03448	83.5
58.00593	1.6
59.01379	90.0
61.98814	4.2
63.00814	1.2
69.03452	1.3
69.82434	5.9
70.33599	1.4
71.01011	2.5
71.01382	40.0
72.99286	2.0
73.02945	41.5
79.05544	2.9
81.03455	6.5
83.01387	14.4
85.02952	6.8
87.00861	1.8
89.02444	21.1
95.01374	3.5
97.06568	3.2
98.19960	1.6
99.04520	100.0
101.02441	66.4
107.01366	1.5
109.06584	2.1
110.14050	1.2
113.02452	26.3
113.06077	2.9
119.03505	11.8
123.04530	27.7
125.02450	60.9
130.73001	1.6
131.03497	4.3
141.05585	1.9
141.77942	1.4
143.03529	8.4
149.04561	7.9
151.00352	6.5
153.05583	3.6
155.03459	1.8
161.04539	26.8
169.01457	2.8
179.05661	8.0
189.12915	1.6
203.05666	2.5
221.06599	2.5
237.59227	1.2
263.07648	3.1
323.09744	3.1
432.15778	1.2
465.17123	1.5
469.24695	1.6
513.16266	5.4
513.23370	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	513.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03452	100.0
58.00595	2.4
59.01377	99.7
61.98824	4.4
66.39568	1.0
69.03448	14.8
70.08488	3.9
71.01379	41.0
72.99314	2.3
73.02943	38.5
75.00893	1.3
76.07998	1.1
79.05527	2.7
81.03471	4.4
83.01403	11.0
83.05030	2.7
85.02949	13.2
87.00873	1.8
89.02438	21.6
93.03461	1.4
95.01387	3.6
95.05019	1.8
97.02981	1.9
97.06592	2.1
99.00928	1.2
99.04519	92.3
101.02441	64.5
107.21005	1.1
109.06613	2.8
113.02451	40.6
113.06108	4.4
119.03496	11.7
123.04527	30.5
125.02444	45.4
125.09693	1.1
131.03537	3.9
137.09772	1.2
141.05582	4.0
143.03491	8.1
149.04553	5.7
149.06053	1.1
153.05637	5.6
155.03497	1.3
161.04543	23.7
161.05722	2.0
165.05554	3.5
169.01422	13.6
179.05615	9.5
221.06847	2.0
261.18469	1.5
263.07718	4.8
315.12540	1.5
323.09998	4.5
371.73962	1.6
379.32227	1.2
423.24002	4.6
453.24847	3.2
477.17584	1.7
513.27148	90.6
514.27362	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	513.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13546	0.7
55.01847	1.0
57.03448	100.0
58.00588	2.2
58.03774	1.1
59.01378	74.0
60.99303	4.5
61.98824	3.9
61.99079	0.8
62.79147	1.1
69.03447	0.8
69.25269	7.0
71.01376	27.2
72.99284	1.6
73.02946	29.3
75.00866	2.0
79.05528	2.3
81.03433	4.2
83.01384	10.6
83.04998	0.7
85.02943	5.6
88.98808	31.4
89.02441	23.8
95.01366	2.3
95.05046	1.4
97.06580	1.6
99.04518	91.3
100.04873	1.1
101.02443	53.7
108.02170	1.0
109.06578	2.0
113.01717	1.3
113.02455	17.1
113.06081	4.7
119.03495	7.8
123.04523	20.8
125.02447	40.8
131.03468	3.3
141.05579	3.1
143.03505	7.5
149.04515	4.4
153.05571	4.2
161.04562	11.5
179.05605	3.3
183.23303	0.8
203.05556	1.5
207.13853	1.6
221.06587	1.8
228.05417	0.7
503.32977	0.9
513.22571	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	513.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	100.0
58.00591	1.1
59.01377	64.7
61.98835	1.9
69.03466	1.5
69.57037	1.2
69.57397	3.5
71.01382	29.9
72.99320	2.0
73.02948	29.0
74.37407	0.6
75.00879	1.0
79.05549	2.3
81.03477	4.2
83.01384	8.4
85.02946	5.9
87.00889	1.2
89.02448	11.0
95.01404	2.0
95.05008	0.6
97.02937	1.4
97.06573	2.3
99.00871	1.1
99.04519	92.2
100.04877	1.3
101.02443	51.7
103.00385	1.8
103.54021	0.7
104.93416	0.5
108.02182	0.9
109.06583	1.9
111.04459	0.7
113.02450	20.4
113.06102	3.7
119.03496	7.2
123.04528	23.8
125.02448	40.5
131.03485	3.7
141.05568	3.6
143.03511	8.1
149.04576	4.9
153.05516	4.2
155.03552	1.0
161.04552	13.8
179.05617	3.5
183.06593	0.9
189.07629	0.7
203.05530	1.4
206.99844	9.4
221.06744	3.2
249.00731	1.0
263.07666	0.6
305.08649	1.5
335.22156	0.9
369.19077	0.8
470.43414	0.6
513.22705	12.7
514.23096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2706
Annotation	Albopilosin J
Peak:m/z	Relative Intensity
58.00576	0.5
59.01379	15.0
61.98827	11.2
68.99828	0.8
69.03445	2.4
69.16621	5.3
71.01382	22.1
71.05009	0.8
72.99299	3.9
73.02949	2.7
75.00873	37.2
76.40529	0.6
83.01405	1.4
83.05017	2.0
85.02950	4.7
87.00886	5.2
89.02441	3.1
96.96018	0.9
97.02947	2.3
97.06572	1.5
99.00877	7.6
99.04533	5.4
101.02445	4.4
103.00368	8.5
104.00687	1.6
105.00810	1.4
107.05011	0.8
111.00867	1.9
111.08112	0.9
112.98495	0.6
113.02419	1.9
115.03995	1.0
119.08635	1.7
120.57690	0.5
123.04404	0.7
125.02459	4.9
125.09689	0.8
129.01950	14.4
131.03477	1.8
137.02373	1.3
137.09729	5.5
141.01903	1.5
153.09213	1.1
159.02982	2.6
161.04521	1.1
167.10730	2.0
177.02545	1.1
177.04042	15.5
181.08690	1.1
208.60014	0.6
221.15390	0.6
265.14398	1.8
285.04382	0.7
335.22272	18.1
335.26282	1.2
336.22626	2.0
351.21490	1.4
409.33472	0.6
477.24948	3.1
513.27020	100.0
514.27393	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	513.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30072	0.5
55.01897	0.7
57.02939	0.7
57.03460	31.3
58.00586	1.1
59.01381	29.9
61.98832	8.7
69.03460	3.4
70.66473	1.0
70.66795	0.7
71.01382	28.5
71.05008	1.2
72.99308	3.0
73.02955	7.6
75.00876	34.5
81.03457	1.7
83.01378	1.9
83.04987	0.7
83.26417	0.6
85.02940	6.3
87.00883	5.1
87.04509	1.1
89.02430	4.5
95.01385	1.0
95.05030	0.6
97.02935	1.7
97.06580	1.5
99.00896	6.4
99.04521	29.4
101.02447	13.1
103.00374	22.8
104.00707	0.9
109.06557	0.8
111.00885	0.7
111.08103	0.8
113.02448	7.5
113.06080	1.3
119.03472	1.3
123.04535	4.9
125.02448	12.4
129.01939	12.3
131.03477	1.7
137.09778	0.7
141.01912	1.9
143.03506	2.3
149.04543	1.7
151.11234	1.1
153.05571	1.1
155.07144	2.1
155.10724	1.1
159.02994	1.9
161.04572	4.3
169.12444	0.8
177.04036	14.1
179.05632	1.1
195.05124	1.5
203.18068	1.0
206.99852	4.9
221.15474	0.7
255.03056	0.8
285.04254	0.6
305.08862	1.1
335.22235	11.4
337.23773	2.3
340.23062	0.7
351.21649	1.5
436.79297	0.7
477.24979	2.0
495.25528	0.7
513.27063	100.0
514.27258	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
57.03442	0.1
58.00587	0.2
59.01376	6.2
59.36903	0.0
68.99807	0.0
69.03452	0.1
71.01378	5.1
72.01704	0.0
72.99308	0.3
73.02946	1.1
74.23441	0.0
75.00881	0.1
81.03452	0.1
83.01378	0.6
83.05019	0.2
85.02949	1.2
87.00867	0.6
89.02440	3.6
90.02762	0.0
91.04016	0.2
95.01390	0.4
97.02946	0.2
97.06580	0.1
99.00878	0.3
99.04521	0.1
101.02438	4.6
102.02802	0.1
103.04011	0.1
111.00871	0.0
111.04491	0.0
112.01662	0.1
113.02448	2.0
113.06084	0.1
115.04000	0.1
119.03490	1.0
125.02458	0.2
127.07651	0.3
129.01889	0.1
131.03510	0.2
133.05061	0.3
141.09222	0.0
141.10255	0.0
143.03485	0.4
145.05025	0.1
149.04552	0.1
157.05092	0.2
161.04547	1.6
169.05151	0.0
179.05608	0.6
182.13168	0.1
187.06201	0.1
205.19582	0.1
233.22803	0.4
235.08194	1.1
236.08682	0.0
253.09262	16.5
254.09674	0.5
259.20673	0.4
275.20142	0.3
277.21686	100.0
278.22028	5.4
359.14929	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	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21566	0.1
52.88050	0.1
55.01880	0.3
57.03447	0.1
57.17189	0.1
58.00605	0.1
59.01379	5.4
61.98840	0.1
63.53429	0.1
69.03461	0.1
71.01380	4.3
72.99322	0.2
73.02942	1.0
76.08392	0.1
83.01366	0.6
83.05034	0.2
85.02937	1.0
86.00124	0.1
87.00875	0.5
89.02444	3.4
91.04034	0.2
95.01388	0.4
97.02966	0.2
97.06627	0.1
98.19839	0.1
99.00900	0.2
101.02442	4.3
103.04021	0.2
113.02455	1.9
113.06058	0.1
115.04012	0.1
119.03491	1.0
125.02471	0.2
127.07643	0.2
131.03543	0.1
133.05096	0.4
143.03471	0.4
149.04593	0.1
157.05022	0.2
161.04553	1.7
164.82628	0.1
179.05618	0.5
182.13130	0.1
184.26622	0.1
233.22800	0.4
235.08218	1.2
253.09277	15.8
254.09712	0.4
259.20786	0.4
275.20166	0.4
277.21704	100.0
278.22043	6.0
278.24362	0.1
309.71045	0.1
412.81436	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	513.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32303	1.0
59.01381	100.0
61.98825	1.6
70.77503	2.9
155.31030	1.0
397.30917	1.3
513.32129	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	514.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98552	0.1
63.40836	0.1
69.50148	0.3
69.50562	0.3
79.91884	0.1
164.81772	0.1
164.84091	0.1
273.29529	0.1
295.99200	0.1
306.74301	0.1
340.45734	0.1
514.32544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.5
57.03449	72.8
58.03798	0.8
59.01381	100.0
61.98837	6.0
63.52342	0.5
64.62196	0.5
69.10033	0.5
71.01382	21.4
72.99313	0.7
73.02949	10.4
81.03455	2.3
82.95415	1.0
83.01397	4.6
85.02951	8.4
87.00876	1.3
89.02447	6.1
95.01411	1.3
97.02982	0.6
98.19955	1.5
99.00863	2.8
99.04521	95.9
100.04874	1.6
101.02444	35.0
113.02457	10.0
119.03485	2.1
123.04523	3.5
125.02454	40.4
126.02763	0.6
131.03561	0.8
143.03471	3.8
149.04488	1.0
153.05495	0.8
159.03017	1.0
161.04556	7.3
179.05655	1.2
209.15442	2.5
221.06589	0.7
227.03398	0.8
231.29347	0.7
240.83850	0.6
243.12190	0.9
353.19724	5.6
371.20697	21.9
372.20584	1.1
413.21823	8.6
453.24518	1.6
471.25888	1.3
515.24347	9.1
518.13422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53368	1.2
55.01876	1.8
57.03449	92.2
58.00593	2.4
58.03783	1.7
59.01382	100.0
60.85749	1.0
61.98834	24.4
68.99570	4.7
69.03465	1.3
71.01387	46.7
71.52566	1.9
72.70261	1.0
72.99319	1.6
73.02944	36.0
79.05550	2.3
81.03481	3.7
83.01389	10.6
85.02946	11.2
85.94344	1.0
87.00890	2.6
87.04549	1.1
89.02454	22.3
95.01389	3.5
95.05019	2.3
97.02965	1.4
97.06608	2.1
99.00943	2.1
99.04520	85.4
101.02444	61.0
112.98584	6.3
113.02451	24.0
113.03165	1.8
113.06109	4.4
113.07232	1.7
114.02809	1.2
119.03500	11.2
123.04530	23.9
123.05398	1.7
125.02450	42.4
126.02798	1.2
131.03537	3.2
134.14778	1.0
141.05632	4.2
143.03522	8.5
149.04578	4.0
153.05583	4.8
161.04553	14.0
179.05664	5.6
179.07050	1.3
203.05679	2.3
209.32500	1.0
217.13521	1.6
221.06667	2.2
261.12430	1.7
303.05627	1.1
353.23526	1.5
494.07593	1.1
515.28778	64.5
516.29138	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	515.286
Annotation	L-Olivosyl-oleandolide
Peak:m/z	Relative Intensity
51.30050	0.9
51.96818	0.8
53.63416	0.9
57.03442	1.6
59.01380	62.8
61.98837	4.5
71.01380	5.3
71.52309	0.9
72.99253	0.8
73.02936	1.9
85.02952	1.9
89.02438	3.7
99.04528	1.1
101.02440	3.2
113.02377	1.1
116.92809	1.2
139.11287	14.3
150.06905	0.9
163.11241	0.8
164.37825	0.9
171.10225	2.1
180.46381	1.2
181.12343	6.5
183.10262	13.0
209.11900	1.9
225.11353	2.4
243.12454	1.4
473.25540	1.0
497.27283	4.8
508.52127	0.9
515.28619	100.0
516.28711	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	515.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
57.03452	0.1
58.00611	0.1
59.01379	4.0
61.98839	0.1
68.72044	0.1
69.03460	0.1
71.01382	3.7
72.20930	0.1
72.99322	0.3
73.02950	1.0
75.00921	0.1
81.03441	0.1
83.01390	0.4
83.05069	0.1
84.95757	0.1
85.02946	1.0
86.81039	0.1
87.00877	0.4
89.02444	2.6
91.04005	0.1
95.01408	0.3
97.02956	0.2
99.00917	0.2
101.02446	3.6
103.04003	0.1
113.02454	1.6
119.03508	0.8
125.02455	0.1
131.03514	0.2
133.05084	0.2
143.03436	0.3
149.04552	0.1
157.05031	0.2
161.04567	1.3
178.87341	0.1
179.05580	0.4
187.06085	0.1
235.08243	1.0
253.09293	13.4
254.09654	0.3
261.22253	0.4
279.23288	100.0
280.23621	4.9
370.38907	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	516.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87038	0.7
57.03459	3.7
59.01381	30.8
61.08985	0.7
62.08027	0.6
67.34515	0.7
68.99801	1.2
69.03453	1.1
69.32308	5.9
69.32713	1.3
71.01382	10.2
73.02947	22.9
74.63557	0.8
83.01385	3.8
83.04996	0.8
85.02938	5.1
86.03773	0.9
87.00887	1.1
87.04514	2.9
91.51015	0.7
95.05019	0.9
97.02940	1.2
99.04539	0.8
101.02442	100.0
102.02766	1.7
109.06582	1.1
111.08183	1.3
113.02454	3.5
114.75507	0.7
115.04024	2.3
125.02416	7.6
125.06038	1.0
137.09706	1.3
139.11287	20.8
140.20824	0.7
143.03490	9.5
146.70946	0.8
151.11354	1.0
151.45300	0.9
163.11330	1.5
165.09157	1.2
167.10854	1.0
169.12291	4.4
179.10777	2.1
181.12331	9.9
183.10249	43.9
184.10571	1.8
195.13843	1.9
197.11807	3.9
199.13428	1.7
199.40248	0.8
223.13348	0.9
225.11319	30.9
226.11685	0.9
239.12898	3.2
243.12369	51.2
244.12738	2.9
249.11188	1.7
255.12418	0.9
257.14026	1.3
267.12363	8.2
279.12524	1.1
281.13968	5.8
285.13440	17.5
291.12463	3.1
297.13443	1.1
299.15240	0.9
307.66016	0.8
309.13550	5.3
315.14258	3.7
323.15323	0.9
327.14447	17.0
328.14868	1.2
345.15552	14.3
345.72382	0.8
369.15506	3.5
380.62216	0.8
387.16647	3.0
399.16595	2.2
405.17590	5.4
429.17630	13.5
440.56116	1.1
489.19730	8.9
516.20911	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	517.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70865	0.3
59.01378	66.9
61.98828	0.6
69.32433	2.4
72.43742	0.3
79.85183	0.3
90.97153	1.3
102.92666	0.3
118.96635	0.7
132.98195	1.4
156.99924	0.9
157.03596	0.9
160.97647	0.4
174.99242	26.9
175.99567	0.4
201.02544	9.0
202.02753	0.6
213.69731	0.3
217.00281	100.0
218.00636	1.6
343.03726	1.0
359.01453	14.1
360.01807	0.6
374.99191	60.2
375.99652	1.8
512.35938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.3
58.00584	2.8
58.26645	0.9
59.01379	89.2
61.98817	1.2
69.03444	3.3
69.18011	2.4
69.18435	6.3
71.01381	83.1
72.99294	3.5
73.02945	6.8
75.94749	0.9
81.03449	3.5
83.01363	3.5
85.02961	8.3
87.00861	4.3
89.02441	100.0
95.01372	1.6
97.02951	7.4
99.00861	1.5
101.02440	18.8
111.00849	4.4
113.02441	13.3
115.03973	0.8
119.03521	4.3
125.02437	21.7
126.02876	0.8
127.04054	0.9
131.02547	1.6
131.03497	23.2
139.03970	1.2
143.03537	2.0
147.40218	1.0
148.05301	43.5
149.04555	40.8
149.05612	1.3
163.07651	15.4
173.04582	0.9
191.05603	10.5
233.06642	4.5
243.12408	1.3
293.08777	61.6
294.09171	1.8
332.23798	0.9
414.52191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71247	0.6
55.01880	1.2
57.03457	1.4
58.00592	2.9
58.36467	0.5
59.01379	67.8
61.98833	1.6
69.03445	2.4
69.18890	5.6
71.01382	66.0
72.99310	3.1
73.02944	21.4
75.00876	1.6
79.01879	0.6
81.03448	1.8
81.64198	0.5
83.01393	3.2
83.05022	1.1
85.02955	8.8
87.00883	1.7
89.02447	85.5
95.01392	2.3
97.02949	5.9
99.00883	36.2
99.04533	0.7
101.02444	36.1
102.02758	0.6
109.02924	0.8
111.00895	0.9
111.04535	0.8
113.02454	12.0
113.06109	0.7
115.04015	4.2
119.03505	3.8
122.03719	0.9
123.08143	1.8
125.02451	19.9
125.06081	0.8
127.04093	1.0
128.03546	0.9
131.03506	16.2
135.04622	0.6
136.05296	1.5
138.06874	6.8
139.07661	1.9
143.03510	2.6
143.04539	0.5
147.08174	0.9
149.04562	36.0
150.04874	0.8
151.07664	5.5
152.08444	21.7
153.09219	22.6
161.04559	5.5
163.11290	5.2
165.09189	0.9
167.07237	0.7
187.11234	0.6
189.09201	1.2
190.09973	1.8
191.05617	12.3
205.12332	47.6
206.12790	1.2
221.06636	1.2
223.13373	2.6
225.70924	0.6
233.06654	18.7
233.10237	1.0
251.07721	3.1
293.08783	18.0
365.14529	2.0
385.18634	4.8
511.13092	0.7
517.22870	100.0
518.23273	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	517.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09287	0.7
52.20374	0.7
57.03453	6.2
59.01377	28.6
61.98833	3.7
65.18199	0.8
65.52782	0.8
67.06657	0.7
70.15962	2.6
71.01385	6.9
71.05005	2.1
72.02162	2.1
73.02937	3.4
83.01368	1.3
85.02946	3.8
85.38305	0.8
87.04514	53.9
88.04858	0.8
89.02415	2.1
96.95981	1.0
99.04537	6.5
101.02460	5.6
109.05981	0.8
113.02402	2.6
119.03497	0.9
123.04527	9.7
125.02406	2.4
129.95360	0.7
137.09692	1.4
144.56769	1.0
161.04443	1.1
189.16328	0.9
207.17505	4.4
236.89252	0.8
243.12280	1.6
251.16527	1.6
269.17560	100.0
270.17896	3.9
293.17529	9.4
311.18372	1.1
373.22357	1.2
415.23032	0.8
485.75967	0.9
517.30389	12.3
518.30505	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03448	100.0
58.03776	0.8
59.01379	93.3
61.92157	0.7
61.98835	2.9
62.09565	0.7
62.47166	0.7
64.32121	0.8
69.24776	6.7
69.33386	0.8
71.01382	20.1
73.02943	8.6
81.03467	1.8
81.74062	0.7
83.01382	4.8
85.01765	0.7
85.02958	11.3
87.00886	1.5
89.02410	1.9
95.01412	1.7
99.00858	1.9
99.04519	99.3
100.04844	1.4
101.02444	36.2
101.03117	1.7
113.02449	9.3
119.03526	0.9
121.02950	4.9
125.02449	29.2
142.35458	0.7
143.03479	2.7
147.43317	0.8
159.02969	1.5
161.04558	6.1
183.10268	0.8
183.11729	0.8
190.07956	0.7
204.25374	0.8
204.55717	0.8
225.05402	1.0
313.07013	2.1
373.22293	28.1
374.22617	1.2
401.08667	3.5
415.23434	3.7
517.26587	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	517.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
57.03448	99.0
58.03784	1.4
59.01380	96.1
60.01712	1.1
60.39557	0.9
61.98829	8.9
69.25684	7.0
71.01012	1.4
71.01382	20.8
73.02947	8.5
78.05425	0.8
80.91692	1.7
81.03461	2.5
83.01407	5.6
85.02953	11.1
89.02435	3.5
94.98092	2.5
95.01360	1.9
97.03004	1.0
99.00876	3.4
99.04522	100.0
100.04850	2.4
101.02441	39.4
103.00379	1.0
104.28484	0.8
111.00829	0.8
113.02451	9.3
115.92097	1.6
121.82581	0.7
125.02445	28.7
126.02769	1.1
134.09053	0.9
135.04485	1.0
139.11215	1.3
143.03484	3.2
152.07196	1.0
152.47148	0.7
159.03038	1.4
161.04541	8.4
183.10135	1.1
243.12381	1.8
279.40195	1.0
306.33029	0.8
359.12378	0.9
373.22308	27.7
374.22513	2.3
415.23444	4.4
454.17026	2.1
455.26553	1.2
517.27539	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	517.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
55.15108	0.8
57.03446	56.1
59.01381	100.0
60.01692	1.8
61.98829	23.3
70.08913	3.9
71.01381	18.5
72.99327	1.1
73.02312	0.9
73.02945	13.1
81.03448	1.4
83.01384	4.7
85.02941	8.4
87.00892	1.6
89.02431	5.4
92.62815	0.9
95.01365	1.6
97.02959	1.1
99.00881	2.5
99.04517	71.1
100.04891	2.2
101.02442	28.3
103.00361	4.4
111.80291	1.0
113.02440	7.6
115.92084	1.3
119.03480	1.0
125.02446	26.5
129.05594	1.5
132.58618	0.9
139.11302	2.9
143.03494	2.5
149.04643	0.9
152.07202	1.4
153.07550	1.1
153.48386	0.9
159.02972	1.4
161.04573	5.2
165.05573	1.5
175.02583	1.1
181.12183	1.1
183.10284	3.7
190.05075	1.1
225.11279	2.3
243.12340	7.0
285.13367	1.2
373.22256	17.9
374.22308	1.7
415.23282	5.1
419.15405	2.7
454.16888	3.6
455.27875	1.3
499.29108	1.2
517.22510	6.4
517.29163	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	517.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03455	2.0
58.00580	0.8
59.01379	24.1
61.98830	7.2
63.92034	0.3
71.01379	18.6
72.99320	1.5
73.02946	3.2
81.71917	0.3
83.01389	2.0
85.02952	7.6
86.00098	0.4
86.57321	0.3
87.00878	1.0
89.02442	10.7
93.16166	0.3
95.01396	2.0
99.00874	1.6
99.04517	0.4
99.92606	0.3
101.02440	12.4
101.03114	0.6
111.00877	0.5
113.02450	7.1
116.92844	1.1
117.37910	0.3
119.03501	3.0
121.02962	0.5
125.02428	0.4
129.09238	0.4
131.03534	0.4
134.55098	0.3
143.03522	0.4
143.10783	0.5
151.50302	0.2
158.93927	1.3
159.02953	0.5
161.04527	0.7
167.14410	0.5
181.15979	0.7
185.11713	0.4
190.05226	0.3
209.15541	0.3
214.15182	0.3
250.07184	0.3
267.23383	0.5
274.28299	0.3
311.25934	1.1
339.25266	0.3
344.19772	0.4
345.44083	0.3
355.24869	0.8
473.31329	0.7
475.28952	0.3
492.24725	0.3
499.28723	0.4
517.30164	100.0
518.30505	8.5
523.65063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
57.00238	0.4
57.03458	2.3
58.00595	0.7
59.01379	23.8
60.96664	0.4
61.98828	60.3
67.25135	0.5
70.48626	1.1
71.01381	25.4
71.05020	0.4
72.99302	1.1
73.02943	7.6
75.00873	0.5
83.01376	4.3
85.02948	14.3
85.06611	0.4
86.00105	1.0
87.00871	1.6
89.02443	5.4
95.01379	2.4
97.02965	0.5
99.00892	3.0
99.04557	0.4
101.02440	14.9
109.34229	0.3
111.00886	0.8
113.02457	8.9
119.03506	1.3
125.02422	0.7
129.01881	0.5
143.03506	0.8
145.10510	0.4
159.03027	1.1
161.04550	3.2
164.65802	0.3
172.98351	0.3
179.86337	0.4
180.12747	0.4
208.49788	0.4
211.16986	0.8
243.12357	0.5
255.03018	0.5
269.17627	1.2
273.42578	0.4
285.04181	0.4
293.24731	0.6
311.25894	1.4
313.03253	0.4
319.22803	1.4
325.51035	0.4
337.23755	1.2
355.24872	0.9
457.28287	0.8
457.62375	0.4
473.31061	1.8
475.29300	0.6
499.29007	5.0
500.29260	0.5
517.30164	100.0
518.30432	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	517.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15019	0.3
55.01880	1.8
57.03447	14.4
58.00592	0.9
59.01379	34.8
60.01749	0.4
61.07124	0.3
61.98831	2.9
62.48720	0.3
69.33437	2.7
71.01381	22.6
72.99293	1.0
73.02943	6.2
75.00883	0.5
81.03462	0.4
83.01392	4.0
84.02154	0.3
85.02949	11.2
86.00104	0.4
87.00877	1.1
89.02440	8.5
95.01381	2.3
97.02970	0.4
99.00885	2.5
99.03852	0.3
99.04519	14.1
101.02441	17.3
102.02785	0.3
111.00868	0.7
113.02445	9.3
116.92900	0.5
119.03485	2.8
121.02959	16.3
122.03305	0.5
125.02444	4.8
126.16978	0.3
141.99236	0.4
143.03477	0.9
155.01288	0.3
159.03009	1.2
161.04541	1.9
171.13916	0.6
177.03865	0.3
180.05792	0.4
181.06584	1.0
225.05573	1.7
273.92316	0.3
311.26010	1.8
313.07202	4.1
357.06113	0.6
357.56201	0.3
373.22324	3.5
374.22717	0.3
383.07980	0.5
401.08716	10.9
402.09174	0.9
415.23254	0.6
457.18573	0.9
466.04614	0.3
473.31522	1.8
475.19864	0.9
517.30170	100.0
518.30505	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14178	0.7
55.01881	1.5
57.03454	4.1
58.00585	1.3
59.01380	44.9
61.98830	30.6
69.03448	0.8
71.01383	35.6
71.05028	5.2
71.52003	0.9
72.99316	1.2
73.02948	12.5
75.00903	1.1
78.73483	0.7
83.01384	5.2
85.02953	16.9
86.00092	1.2
87.00880	2.2
87.04513	7.3
89.02449	8.6
95.01382	3.6
97.02962	1.1
99.00881	3.3
99.04523	2.1
101.02445	23.9
108.08193	1.0
108.17691	0.8
109.92266	0.6
111.00922	1.1
113.02462	13.8
119.03500	3.1
121.02962	0.9
123.08145	0.9
125.02478	1.5
135.04454	0.8
139.11282	13.3
143.03455	1.2
143.04530	0.7
148.04066	2.6
159.02992	1.9
160.03969	1.3
161.04565	8.3
169.02342	0.8
183.10248	21.9
185.11906	1.2
197.11832	5.5
210.00455	0.7
222.26810	0.7
269.12924	5.7
285.03607	0.8
293.24902	0.8
295.10883	3.6
300.34744	0.7
313.11914	3.8
333.19144	3.7
337.23795	0.8
338.24078	0.8
344.19562	1.1
355.24985	3.5
373.25845	6.7
408.79160	0.7
439.27118	1.9
455.30496	1.3
457.28180	5.3
475.28961	1.6
481.28070	1.2
499.29138	27.7
500.29883	1.9
517.18945	6.4
517.30188	100.0
518.30377	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	518.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98071	0.2
56.00954	0.2
59.01348	0.2
61.98830	1.9
62.96393	0.2
66.61427	0.2
70.41742	0.2
70.42067	0.5
78.78596	0.2
78.95905	44.4
95.18847	0.2
96.96962	5.3
96.97607	0.3
98.20592	0.2
101.58166	0.2
116.92928	0.2
150.98038	1.6
152.99585	100.0
153.99910	0.7
171.00647	3.8
201.44258	0.2
277.21762	0.9
415.49686	0.2
431.22006	26.9
432.22333	1.6
518.25214	6.1
519.25848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
55.38095	0.2
57.03447	0.9
58.00591	0.2
59.01379	8.7
59.27002	0.2
61.98829	100.0
62.31138	0.2
62.66784	0.2
66.59785	0.2
69.22129	1.5
71.01383	5.5
72.99304	0.4
73.02946	1.7
75.00892	0.2
83.01385	1.0
85.02952	3.0
87.00903	0.3
89.02454	1.2
89.02975	0.2
95.01391	0.5
97.02944	0.2
98.20728	0.3
99.00911	0.6
99.04510	1.2
101.02443	3.1
111.00893	0.2
113.02449	2.0
116.92870	0.6
119.03527	0.5
125.02465	0.4
150.71594	0.2
156.11320	0.2
156.72363	0.2
161.04610	0.5
182.17854	0.2
209.11913	0.5
227.12956	0.2
231.21812	0.2
255.03044	0.4
285.03937	0.5
313.27780	0.3
321.24493	0.2
357.26730	0.3
399.23984	0.7
417.24988	0.2
475.33197	0.3
501.31165	0.8
518.30524	1.8
519.31732	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	518.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85975	1.6
61.98831	100.0
69.18517	14.4
78.96462	1.9
106.59469	1.5
129.06633	1.5
221.89558	1.7
234.49760	1.9
472.41522	1.6
531.30560	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1135
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.18866	0.2
57.03450	0.2
59.01377	4.6
61.98830	1.1
63.02397	0.3
64.63383	0.2
65.00336	0.5
70.03008	0.2
71.01382	3.6
72.99298	0.3
73.02944	1.1
75.00881	0.3
82.51913	0.1
83.01370	0.8
85.02953	0.7
87.00889	0.3
88.63816	0.1
89.02443	5.0
90.95610	0.2
95.01361	0.2
96.00941	0.4
97.02915	0.2
99.00884	1.7
99.04528	0.2
101.02441	2.5
102.88626	0.2
103.00362	0.5
107.01369	0.8
108.02214	0.2
109.02940	0.2
113.02463	1.0
114.01917	0.2
115.00379	0.3
116.92858	0.7
119.03497	0.4
119.05022	0.2
121.02938	0.4
125.02441	0.9
127.05119	0.2
128.03520	0.8
130.08704	0.3
131.03494	1.1
131.04517	0.3
133.01401	0.3
135.00871	0.3
135.04550	0.2
136.01692	1.3
143.03575	0.2
143.04694	0.4
147.04536	0.4
148.01729	0.3
149.02649	0.2
149.04553	4.2
151.00375	2.7
151.04024	2.4
152.89778	0.2
153.01900	0.2
155.04988	0.3
161.04512	0.3
163.00391	0.2
163.03862	0.2
164.01079	0.2
169.01448	0.3
171.04480	0.9
173.02412	0.4
175.02490	0.3
175.03929	0.4
178.99863	0.5
179.03459	0.2
183.04529	0.2
187.04015	0.5
189.01952	0.3
189.12888	0.3
191.05632	1.0
191.62404	0.1
197.02393	0.5
199.03995	4.1
201.01955	1.4
203.03485	0.7
204.04257	0.6
205.05032	0.2
215.03497	3.8
221.06691	0.3
225.01965	0.6
226.00787	0.2
226.02596	0.9
227.03484	4.2
227.13971	1.1
228.03963	0.3
229.01401	0.8
239.81635	0.2
241.01390	0.2
241.04929	0.2
242.02200	11.0
243.02966	41.6
244.03305	1.8
251.07761	0.5
253.01302	0.2
255.03035	0.4
255.12294	0.3
257.04553	12.4
258.04993	0.5
270.01688	12.6
271.02454	42.8
272.02835	1.8
272.08850	0.3
285.04028	24.9
286.04761	7.3
287.05289	0.4
293.08890	0.2
295.26553	0.2
298.04819	0.2
299.01978	8.5
299.05325	0.3
300.02698	3.7
314.04309	44.4
315.04956	6.8
316.05295	0.3
327.08575	0.2
342.11139	0.2
357.06094	1.1
357.13184	1.9
357.16599	0.2
387.20148	0.2
502.83734	0.2
519.11414	100.0
519.24365	4.6
520.11804	7.0
520.24438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.114
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
58.64768	0.3
59.01355	1.0
63.02401	0.3
65.00331	0.7
69.21578	2.6
69.21920	0.3
71.01361	0.6
78.94469	0.3
83.01374	0.6
85.02921	0.5
99.00906	0.4
101.03946	0.4
107.01371	1.4
108.02194	0.3
109.02966	0.3
113.02425	0.8
143.01318	0.3
143.05086	0.4
143.23146	0.3
145.02937	0.9
148.01704	0.4
150.99237	0.3
151.00378	5.2
152.00764	0.3
155.05106	0.6
157.02895	0.4
159.04446	0.6
161.02403	0.4
163.00284	0.6
167.04973	0.4
169.02870	0.4
171.04492	1.0
183.04526	2.0
185.02405	0.4
185.35222	0.3
187.03989	1.5
190.45721	0.3
199.03992	7.4
200.04439	0.4
201.01974	0.7
203.03473	1.1
208.88454	0.3
211.03983	0.9
215.03514	2.3
219.74399	0.3
219.94649	0.3
226.02632	0.7
227.03482	6.5
228.04112	0.4
229.01170	0.3
242.02272	1.7
243.02966	25.0
244.03630	1.9
254.02161	0.8
255.02968	20.5
256.03452	1.1
257.04596	2.0
259.06003	0.6
267.07111	1.1
270.01645	1.6
271.02451	40.2
272.03036	4.0
285.03986	3.5
286.04822	0.8
287.05591	1.2
299.01947	67.5
300.02682	25.8
301.03113	1.3
313.03461	0.4
314.04306	47.2
315.05072	100.0
316.05405	4.7
345.41333	0.3
357.06049	0.6
504.08344	0.4
507.24210	0.4
519.11444	51.8
519.20001	2.4
520.11664	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	519.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03445	2.3
58.00582	0.5
59.01381	28.7
61.98832	2.3
62.59132	0.3
67.01884	0.5
68.99806	0.9
69.03442	1.0
71.01382	15.0
72.99310	3.3
73.02959	1.8
75.00874	7.7
75.73576	0.3
77.84365	0.3
83.01369	0.9
83.05001	0.4
85.02955	14.5
86.03277	0.4
87.00870	5.8
89.02448	4.7
93.03438	0.4
95.01399	3.4
97.06583	0.4
98.19938	0.9
99.00880	6.1
99.04520	1.9
101.02445	4.5
102.02746	0.4
103.00383	2.2
111.00846	0.7
112.01598	0.5
112.64703	0.4
113.02448	17.9
115.00352	1.6
116.07191	0.3
117.01904	1.4
119.03479	0.8
121.06596	0.6
126.36300	0.3
129.01968	1.8
131.03534	0.9
137.34480	0.4
139.00349	0.4
139.11220	0.5
153.64490	0.4
157.01373	0.5
163.11263	0.4
165.12825	1.5
175.02431	2.0
183.10258	0.5
184.10725	0.5
185.10690	0.3
189.12837	1.4
191.10710	0.9
199.03929	0.5
205.07167	0.4
207.05064	0.8
207.13895	4.3
208.14180	0.4
209.11836	3.7
225.14978	0.4
227.03432	0.6
231.05176	0.5
242.02180	0.6
243.02956	3.6
244.12764	0.5
245.12952	0.4
249.06126	8.5
250.06624	0.4
251.12852	0.9
255.02933	0.6
257.04520	0.8
267.07196	20.3
268.07498	0.7
269.14044	1.9
270.01694	1.3
271.02457	4.2
272.02985	0.5
285.04068	2.6
286.04672	0.8
299.01978	3.9
300.02588	1.2
314.04318	5.4
315.05063	4.4
339.25287	0.4
343.17380	2.5
352.01859	0.4
357.26041	0.7
457.20786	1.3
459.18475	2.0
470.79239	0.4
501.19769	3.2
501.30588	1.2
519.11761	9.9
519.20752	100.0
519.31543	5.1
520.13104	0.6
520.21088	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	519.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87740	0.2
51.85295	0.2
55.01874	0.5
57.03444	0.7
58.00591	2.5
59.01378	63.4
60.01745	0.3
61.98828	0.5
69.03443	0.6
71.01381	47.5
71.42779	0.2
72.99304	2.3
73.02946	14.9
83.01421	0.7
85.02954	4.5
87.00895	0.8
87.04510	0.3
89.02444	100.0
90.02773	0.8
92.03235	0.3
95.01402	0.3
96.95990	0.5
97.02936	1.4
99.00880	28.8
99.04526	0.4
99.92604	0.4
101.02441	42.3
102.02787	0.3
103.00403	0.6
113.02448	7.0
115.04025	0.7
116.92865	4.4
119.03512	3.3
119.04987	0.2
125.02450	4.7
128.03511	0.4
131.03503	18.4
134.03745	0.2
136.01672	1.2
143.03485	2.9
149.04553	87.7
150.04913	1.1
151.03990	1.7
161.04538	4.2
163.04059	0.4
179.05630	0.5
183.14447	0.3
191.05608	19.6
192.06067	0.4
221.06659	6.8
243.03017	0.7
251.07713	9.7
251.10294	0.5
259.28842	0.3
263.07690	0.3
271.02530	0.6
275.07776	0.9
281.08771	0.7
293.08780	3.8
299.01843	0.4
311.09802	5.6
314.04562	0.4
357.13287	1.7
449.20047	0.3
461.20206	0.6
501.23422	0.4
519.12384	1.3
519.24469	9.2
520.24945	1.0
548.66779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05994	0.9
53.97932	0.8
57.03445	3.4
59.01379	41.6
61.98831	15.6
61.99132	1.6
63.94212	0.8
66.15015	0.8
69.03452	2.4
69.06889	0.9
71.01387	12.7
71.05019	0.8
71.51751	1.2
72.99306	1.0
73.02600	0.8
73.02940	4.9
75.66820	0.8
80.05051	11.5
83.01398	2.9
85.02960	3.7
85.06623	1.1
89.02456	8.1
95.01414	1.4
99.00883	2.1
99.04526	1.4
99.92628	1.3
101.02439	11.2
103.00358	1.0
104.05067	3.6
106.06630	3.2
107.04942	0.9
108.04548	2.2
108.08199	3.1
111.20037	0.8
113.02435	6.3
116.92847	2.7
119.03501	2.2
119.05002	0.9
120.12016	0.8
121.05328	3.5
121.74004	1.0
125.02461	1.6
130.06606	1.6
132.04533	1.4
134.06105	9.5
135.04581	1.2
136.07683	78.8
143.03580	1.1
146.06123	3.6
148.04042	3.1
148.07668	1.1
150.09184	1.1
151.81146	0.8
152.07169	2.8
153.04323	2.4
157.12302	1.3
160.04066	2.4
160.07690	1.4
161.04555	3.0
167.10782	2.8
173.04776	1.7
174.05632	2.6
179.05510	1.0
179.14432	2.3
180.06622	8.6
186.05617	1.7
188.07178	21.3
195.12404	1.2
195.13899	7.3
205.12332	9.6
210.07990	0.9
211.08794	4.7
223.13396	92.3
224.09639	0.9
224.13779	2.8
225.10345	5.7
226.11101	3.3
227.11916	5.2
229.13521	5.2
235.08551	1.8
237.10236	1.7
238.07455	2.3
239.11830	1.2
249.10373	1.4
251.08247	2.5
251.11986	3.6
252.09055	2.5
253.09500	24.9
253.12477	1.3
253.13388	1.2
255.02963	1.1
264.08997	1.8
265.09854	3.2
266.10617	1.2
267.11407	6.2
271.02686	1.3
276.08942	1.0
277.09872	3.9
278.49942	1.1
279.07809	4.1
279.11432	6.8
280.08704	1.4
285.04138	1.2
289.10043	1.8
292.08533	1.1
293.06436	1.1
293.09387	3.7
294.10162	3.4
295.10870	33.0
297.12558	2.3
299.02151	1.1
307.10873	19.0
309.12646	1.5
314.04498	1.2
315.05173	2.2
321.08844	1.2
323.14130	1.2
339.25552	1.8
344.38135	1.0
357.26477	3.4
374.18930	1.7
376.20358	2.0
400.16727	1.6
401.17657	1.0
402.18292	2.1
416.19843	3.3
420.19208	1.4
442.17804	2.1
444.19250	95.4
459.22470	12.6
459.29733	3.9
460.18890	2.2
470.17252	2.6
477.31067	1.1
488.18265	100.0
501.31052	2.1
519.11389	2.3
519.31793	45.7
520.20862	13.4
520.32367	1.8
520.47101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.0
57.03449	100.0
58.02966	0.6
58.03780	0.5
59.01379	82.9
60.01725	0.6
61.98830	13.2
68.36469	0.5
69.61763	3.0
71.01382	17.8
72.99297	0.7
73.02950	6.5
74.02468	1.7
78.72186	0.5
81.03475	1.4
83.01402	4.4
85.02953	10.5
87.00871	0.8
89.02446	5.0
95.01411	1.1
95.62946	0.4
96.38416	0.4
96.96021	1.0
99.00886	3.0
99.04521	87.1
100.04884	0.9
100.54680	0.5
101.02446	34.0
109.04041	0.5
113.02455	8.0
119.03517	1.4
119.05059	0.8
125.02455	24.4
126.02805	0.6
126.03806	0.9
128.03534	3.4
134.03726	0.7
137.09825	0.6
143.03491	3.3
143.04634	3.2
147.04546	1.8
148.01880	0.5
149.06052	1.0
152.07204	0.8
159.02985	1.1
161.04565	6.0
179.04448	0.7
196.28851	0.4
210.08795	1.1
243.02939	0.9
243.12296	0.7
249.05858	0.5
254.07730	1.9
255.02832	0.5
271.02435	1.3
272.08817	2.4
285.04053	1.0
299.01804	1.7
300.02512	0.9
314.04413	1.2
315.05051	2.0
357.26190	0.7
375.23843	21.0
376.24084	1.2
413.21884	0.6
417.25110	3.2
457.27493	1.1
501.17999	0.6
501.30649	0.6
519.11072	1.7
519.19128	3.9
519.27930	12.0
520.28326	1.1
546.40887	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3175
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01876	1.9
57.03455	2.0
58.00585	1.1
58.47898	0.3
59.01381	33.7
61.98349	0.3
61.98833	3.1
64.71008	0.3
66.72272	0.3
69.24719	1.2
69.25138	1.7
71.01385	22.5
72.99288	1.0
73.02557	0.5
73.02943	5.7
74.99065	0.3
83.01390	4.6
85.02952	11.4
85.06573	0.4
86.00076	0.5
87.00409	0.3
87.00878	1.4
89.01939	0.5
89.02447	7.1
89.70402	0.3
91.41068	0.4
92.48125	0.3
95.01386	2.8
97.02933	0.7
97.23550	0.4
98.20676	0.8
99.00880	2.4
99.04481	0.4
101.02443	13.5
111.00890	0.9
113.02454	9.0
119.03500	2.2
143.03534	0.6
156.30515	0.4
159.02992	0.9
161.04579	2.3
211.16959	0.5
261.24487	0.4
283.52783	0.4
313.27713	0.6
321.24377	0.7
339.25235	0.6
357.26465	1.6
459.29678	1.9
475.32581	1.5
477.30759	1.0
501.30765	3.1
519.31738	100.0
520.32025	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73243	0.3
53.15253	0.3
54.53873	0.2
55.01885	1.5
56.14183	0.2
57.03455	2.3
58.00579	1.3
58.79019	0.3
59.01379	22.5
61.98837	1.8
67.01923	0.3
69.03444	0.3
69.24258	2.3
71.01380	20.9
72.99292	1.3
73.02553	0.5
73.02946	6.1
75.00892	0.6
78.57499	0.2
79.75962	0.3
80.05032	0.4
83.01380	4.0
85.02951	10.4
86.00086	0.4
87.00873	1.1
87.04504	1.1
89.02445	7.5
89.03007	0.4
95.01395	2.2
97.02931	0.5
99.00886	2.2
101.02444	14.0
104.05089	0.3
107.09306	0.3
111.00863	1.0
113.02447	9.0
118.06664	0.3
119.03520	2.5
125.02409	0.4
127.11275	0.5
129.01950	0.4
131.03719	0.8
132.04562	3.2
134.06117	0.4
136.07661	3.7
139.11247	1.2
143.03531	0.3
159.02985	1.0
161.04535	1.0
169.12271	0.4
171.13960	0.5
178.92577	0.3
180.06665	0.4
181.12196	0.3
183.10284	1.1
188.07176	1.5
201.14984	0.6
226.11067	0.3
227.11655	0.3
251.11723	0.4
253.09779	0.8
255.03052	0.4
279.07697	0.3
295.10870	1.3
307.10843	0.6
311.25961	0.3
313.27420	1.0
357.26263	0.8
401.25558	0.6
416.19946	0.4
444.19168	4.1
459.29355	1.0
475.32571	1.2
488.18356	3.8
501.30649	0.4
519.31726	100.0
520.21796	5.8
520.32098	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	519.3181
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
54.12812	0.3
55.01877	1.7
57.03448	6.3
58.00581	1.4
58.03763	0.4
59.01379	42.5
60.01709	0.7
61.01747	0.3
61.98831	3.0
69.03459	0.5
70.47075	0.7
71.01382	33.3
72.99315	1.8
73.02943	7.0
75.00864	0.8
76.43154	0.3
78.95897	2.6
82.95406	0.5
83.01385	3.7
83.98225	0.3
85.02950	13.2
85.03471	0.6
87.00861	1.9
87.04485	0.9
88.15905	0.4
89.02445	19.0
92.36512	0.3
93.07081	0.5
95.01378	3.3
96.96013	26.3
96.96937	3.5
97.06601	0.4
99.00865	2.9
99.04516	3.8
99.62679	0.3
100.04861	0.7
101.02441	22.1
102.02821	0.6
111.00880	1.1
113.02448	12.5
114.02761	0.4
119.03507	9.0
120.99657	0.5
125.02428	1.6
126.02781	0.4
129.01915	0.7
130.08809	0.5
131.03487	0.6
131.11214	0.3
139.11259	1.0
143.03503	1.6
149.04558	0.4
151.11301	0.7
157.12331	2.0
159.02950	1.7
161.04538	3.9
163.11295	0.5
171.13924	0.5
179.05608	1.7
181.12335	0.6
186.12650	1.0
187.13365	1.1
199.13388	1.0
201.14978	1.3
217.73555	0.4
228.13718	0.6
243.02972	1.0
255.03192	0.3
271.02509	0.9
297.24152	0.6
299.01898	1.0
300.02557	0.5
314.04248	1.0
315.05276	1.7
321.24216	0.5
339.25366	1.2
348.17947	0.5
357.26447	17.6
358.26865	0.9
362.19388	0.9
374.22876	0.4
375.23184	0.5
375.27402	0.5
380.16742	0.4
428.02020	0.4
459.09348	0.5
465.28690	0.4
483.29532	1.0
489.30743	1.1
501.30716	2.1
519.12225	1.6
519.31732	100.0
520.32074	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	519.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
57.03434	1.4
58.00573	0.7
59.01379	21.0
61.98827	4.5
68.43358	0.4
70.52911	0.4
71.01380	11.9
72.99288	0.9
73.02943	1.5
76.90387	0.3
83.01385	1.3
85.02950	3.4
87.00869	1.0
89.02447	6.9
95.01382	1.2
96.95962	0.5
98.19923	0.7
99.00875	0.5
99.04510	0.7
101.02441	7.5
106.78116	0.4
113.02451	4.1
116.92834	1.2
119.03469	2.1
119.04987	0.7
125.02469	0.4
136.07692	2.6
137.02493	0.4
137.09679	0.4
139.11235	0.7
155.14488	0.4
161.04530	0.4
163.03949	0.8
185.11806	0.7
271.02490	0.5
278.06842	0.4
279.07620	0.5
293.09369	1.5
294.09735	0.7
299.01886	0.5
309.24203	2.6
311.22217	0.4
314.04312	0.4
315.05182	0.6
321.24353	1.3
337.08096	0.8
339.25378	18.4
340.25711	1.4
357.19614	0.4
357.26462	9.1
358.26959	0.8
402.17972	0.4
419.64697	0.4
443.18338	2.2
444.19028	0.6
459.29483	0.6
475.51672	0.4
477.30658	0.6
487.17462	1.9
488.18460	0.8
501.30450	0.5
519.31696	100.0
520.20502	0.6
520.32001	7.9
520.39771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3187
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
53.86144	0.7
55.01868	2.3
57.03450	28.8
57.06900	0.7
58.00579	1.1
58.03772	4.4
59.01378	56.8
59.03876	1.2
59.51468	0.7
60.01707	3.2
61.01794	2.4
61.98830	7.9
69.17572	6.9
69.17985	1.5
70.54915	0.7
71.01381	23.6
72.01706	1.1
72.99303	1.0
73.02935	7.1
83.01384	3.6
85.02949	11.5
87.00858	0.8
87.04507	1.3
89.02447	7.6
95.01382	1.9
97.02938	1.0
99.00900	2.9
99.04517	22.4
100.04829	5.9
101.02440	20.3
101.04966	1.4
102.02783	1.6
103.00382	1.3
113.02457	9.4
115.00495	0.8
116.92896	1.7
118.61499	0.6
119.03513	2.0
121.02968	1.3
125.02427	7.2
126.02798	2.0
127.02915	1.5
134.06171	0.9
136.07675	7.3
139.11290	1.1
143.03467	1.0
159.02937	1.1
161.04549	2.1
185.11838	2.9
188.07167	0.9
215.12901	1.5
239.08435	1.0
251.11909	1.1
256.31989	0.9
271.02286	0.9
279.07681	1.6
281.23987	0.8
294.10110	1.3
295.10934	2.0
299.01880	1.1
307.10956	0.9
311.26035	1.2
313.27380	1.6
314.04352	1.1
315.05011	1.7
315.25427	1.1
323.26065	1.3
339.25516	3.8
341.26962	6.7
357.22522	0.9
357.26428	9.4
373.22223	1.8
374.22614	1.3
375.23099	5.1
417.23935	1.2
439.26685	0.9
442.17511	0.9
444.19278	6.6
457.18250	0.9
459.29898	4.0
477.30811	1.3
488.18253	9.0
501.30887	3.2
519.31812	100.0
520.20892	1.3
520.32019	8.4
530.50958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07534	0.1
59.01375	0.6
61.98828	100.0
62.98531	0.1
69.23292	0.1
69.41810	0.8
71.01395	0.3
89.02456	0.4
94.11866	0.1
101.02452	0.1
116.27743	0.1
121.52399	0.1
125.02443	0.1
151.00401	0.1
200.67601	0.1
207.33292	0.1
233.18901	0.1
243.02997	0.4
244.03355	0.3
255.02998	0.2
271.02539	0.5
271.19250	0.1
272.02902	0.6
285.04218	0.2
286.04492	0.3
299.01999	0.5
300.02386	1.1
301.03189	0.3
314.04294	0.6
315.04813	1.8
316.05493	1.1
339.55917	0.1
491.96194	0.1
520.11914	1.9
521.26245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15099	0.4
59.01382	3.1
60.46028	0.4
61.31938	0.4
61.65717	0.5
61.98825	3.5
67.65270	0.3
69.76075	2.1
70.28415	0.3
80.05056	10.9
83.01365	0.4
86.52658	0.4
104.05083	5.2
106.06629	4.1
108.04558	3.7
108.08199	6.1
116.92844	0.6
118.06580	0.8
121.05355	4.7
130.06575	1.9
132.04553	1.4
134.06137	9.5
135.03255	0.8
136.07680	88.8
137.08005	2.0
146.05084	0.6
146.06107	4.0
147.03233	0.8
148.04028	3.2
148.07687	0.7
150.01993	0.4
150.09253	1.3
152.03546	0.6
152.07166	2.7
153.04327	1.6
160.04042	2.3
160.07715	1.0
162.05598	0.8
164.07263	0.4
170.06099	0.4
173.04805	1.0
174.05602	3.0
180.06657	9.3
186.05608	1.6
188.07167	25.0
189.07565	0.5
190.05011	0.6
197.10834	0.7
210.07996	1.8
211.08734	7.1
212.09311	0.5
214.05092	0.7
222.07887	0.5
223.08829	1.2
223.12297	0.9
224.09515	1.2
225.06776	0.5
225.10298	6.1
226.11021	4.3
227.11893	6.1
229.13443	6.3
234.07947	0.6
235.08781	1.8
236.09464	0.8
237.06857	0.5
237.10336	1.7
238.07431	2.1
238.11057	0.5
239.08244	1.2
239.11876	2.3
241.13542	0.6
248.09653	0.9
249.06717	0.6
249.10324	1.2
250.07614	0.5
251.08279	4.0
251.11867	3.6
252.08980	2.6
253.09810	13.0
253.13689	0.6
254.10461	0.6
263.08249	1.3
264.08917	2.0
265.06915	0.6
265.09784	3.5
266.10513	1.3
267.11353	4.7
269.12857	0.6
277.09799	5.1
278.07227	0.6
278.10587	1.2
279.07773	5.8
279.11389	6.6
280.08548	0.9
280.11703	0.6
281.13068	0.9
289.09943	0.9
291.07852	0.5
292.08563	1.7
293.09323	3.6
294.10095	3.6
295.10876	33.6
296.11203	1.6
297.12518	1.7
305.09390	0.6
307.10876	19.2
308.11252	1.3
309.12427	1.7
311.06982	0.6
321.08798	1.7
323.10468	0.7
323.14075	0.5
333.08841	0.8
338.09354	0.6
339.09671	1.3
348.20828	0.8
358.15402	0.6
359.16055	0.5
374.18912	0.9
376.20239	2.5
388.16464	0.7
398.19025	0.6
400.16586	0.6
401.17462	0.9
402.18420	2.6
414.18256	0.7
416.19965	3.5
420.19333	1.1
424.16620	0.5
426.18207	1.2
428.16058	0.8
442.17740	1.9
444.19260	99.8
445.19595	7.4
446.17386	0.8
447.18237	0.7
460.18741	1.8
470.17426	2.1
488.18250	100.0
489.18585	9.0
520.20886	13.6
520.32642	0.9
521.21045	1.2
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
59.01387	0.5
60.14029	0.3
61.98830	0.9
70.33258	0.9
78.95905	43.2
96.96958	5.1
117.12314	0.4
141.80888	0.3
150.98024	1.6
152.99586	100.0
153.99939	1.0
157.55479	0.3
171.00627	4.5
212.09164	0.3
279.23343	1.4
433.23618	25.4
434.23972	1.2
520.26709	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	520.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02964	0.2
57.11361	0.2
57.83718	0.2
61.98818	0.8
68.01633	0.2
71.52002	0.3
71.52410	0.2
78.95902	42.8
85.09061	0.2
85.76894	0.2
95.51168	0.2
96.96960	6.2
150.98013	1.8
152.99583	100.0
153.99930	0.7
171.00645	4.3
240.02754	0.3
279.23254	0.8
322.83777	0.2
433.23575	27.0
434.23889	1.6
520.26740	7.8
521.26727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
57.03447	1.3
58.00580	1.1
59.01378	30.6
61.98831	1.7
65.09200	0.6
71.01379	30.2
71.52306	0.6
72.99314	1.1
73.02940	10.6
75.00871	1.6
83.01383	3.8
84.71094	0.5
85.02951	12.5
86.09310	0.6
87.00883	2.6
89.02448	11.0
94.02985	1.3
95.01388	2.1
97.02946	1.1
99.00888	4.6
99.04501	0.7
101.02443	21.3
103.00371	100.0
104.00735	0.9
109.57929	0.7
111.00879	1.3
111.61748	0.6
113.02437	10.8
115.00351	1.0
116.92863	0.9
119.03484	2.1
119.05010	1.0
123.85036	0.5
125.02413	2.9
129.01930	0.7
131.03487	1.7
132.85603	0.6
135.04489	0.7
143.03481	1.7
149.04533	1.6
151.03964	1.6
152.04369	0.7
159.03040	0.9
161.04587	5.2
161.05820	1.0
165.09192	2.2
169.04985	0.7
173.51132	0.6
179.03378	1.1
179.17964	0.6
183.29097	0.6
225.14952	1.5
227.16469	4.1
233.06665	1.7
265.09692	0.7
271.56128	0.6
293.08533	1.1
305.54303	0.6
308.84863	0.6
327.14392	2.4
345.15485	10.6
358.13898	0.8
359.14227	1.3
387.16025	0.9
389.21780	16.9
390.21902	1.2
521.18652	12.3
521.25922	66.0
522.19226	1.3
522.26080	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	521.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30935	0.8
59.01382	26.2
61.01797	0.8
61.98832	6.1
71.01386	12.7
71.52239	1.2
72.99315	2.1
73.02955	3.7
75.00863	1.3
80.61323	0.8
82.84075	0.7
83.01403	1.3
85.02947	3.4
87.00887	1.4
89.02449	7.7
95.01395	0.9
101.02437	7.4
103.00375	100.0
108.84830	0.8
113.02454	4.1
115.00351	1.1
116.92826	0.8
119.03484	2.5
121.02978	2.5
121.10244	0.9
121.61964	0.7
127.50951	0.8
133.01381	1.1
135.04573	0.9
147.04515	1.2
150.03201	2.2
158.03693	1.5
159.04504	4.4
160.05301	12.1
161.04570	1.5
161.06064	3.8
163.04034	2.8
164.04840	1.9
169.12123	0.9
173.06093	1.9
175.07642	12.2
177.05562	4.2
178.06293	4.6
180.68562	0.7
193.08658	0.8
243.07710	1.2
243.12337	0.8
254.20663	0.8
274.46603	0.9
298.10760	2.4
312.06619	1.0
327.14676	1.5
329.13934	59.7
330.14267	3.0
344.12436	0.9
345.15518	10.2
359.08743	3.2
359.14896	4.0
478.17252	2.2
521.18921	18.0
521.25781	2.9
522.18958	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99363	0.2
51.07590	0.2
51.07853	0.3
54.08329	0.2
57.03450	0.4
58.00582	0.7
59.01379	20.4
61.98828	1.3
63.99939	0.3
69.83775	0.3
71.01382	8.9
72.99300	0.7
73.02948	0.9
75.00877	1.0
80.98195	0.3
83.01379	0.7
85.02953	2.0
87.00877	1.3
88.27278	0.3
88.61845	0.3
89.02450	5.7
95.01426	0.6
97.19855	0.3
99.00891	0.5
101.02453	4.3
103.00373	100.0
104.00713	1.1
113.02451	2.3
113.68900	0.3
115.00374	0.9
119.03522	1.8
123.55012	0.3
123.87495	0.3
125.02448	0.3
125.46269	0.3
131.03508	0.5
135.04503	0.5
149.04517	0.8
149.05867	0.3
157.01430	0.6
161.04585	0.3
165.09187	1.8
175.02495	1.9
179.03406	0.6
187.12994	0.3
225.03836	0.3
269.13101	0.4
327.14410	2.7
329.13837	1.4
345.15524	10.0
346.15704	0.4
387.16446	1.1
427.14832	0.4
441.17673	0.4
503.17459	0.6
521.10437	0.7
521.18536	14.0
521.25781	1.1
522.18860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55838	3.2
55.50476	3.4
59.01382	100.0
61.98544	3.4
61.98827	22.0
64.92811	2.9
71.01376	28.1
71.52988	3.7
73.02945	7.7
85.02951	12.1
89.02450	6.3
94.29539	3.2
100.67426	3.6
101.02456	16.1
113.02454	7.3
126.55082	3.1
143.03575	3.6
161.04529	4.5
163.04088	3.1
179.03406	3.7
230.52083	3.6
317.21231	12.5
341.23233	12.1
381.22739	6.1
399.24088	15.1
461.25558	6.0
479.26477	21.4
521.27332	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07687	0.5
55.01872	1.7
56.84813	0.5
57.03455	2.8
58.00579	0.6
59.01381	26.2
60.99307	13.6
61.98833	7.4
69.03430	0.7
71.01382	25.9
71.05024	0.6
71.39423	1.1
72.99308	1.1
73.02953	7.5
75.00864	1.0
76.83748	0.5
83.01392	4.1
83.05003	0.6
85.02953	12.6
86.00105	0.6
87.00870	2.4
87.04510	0.7
88.00380	0.9
88.98806	92.8
89.02448	18.5
89.99122	0.6
95.01374	2.3
96.96027	0.7
97.02934	1.0
99.00291	0.5
99.00889	3.3
99.04488	0.6
101.02446	17.0
103.00342	0.5
106.12774	0.5
109.06613	0.6
110.81567	0.5
111.00883	2.3
113.02454	11.1
115.00419	0.9
115.92068	0.8
116.92834	0.8
119.03479	3.1
119.05059	0.6
120.14498	0.5
122.06136	2.9
127.11298	0.7
132.47981	0.6
133.01425	1.0
135.04492	0.5
149.04453	0.6
151.11281	2.0
152.07178	4.9
155.10793	0.6
156.87834	0.5
159.03014	1.0
161.04564	2.7
171.13933	1.0
179.03555	0.6
179.05580	0.7
195.48466	0.5
211.13406	0.8
271.22797	1.4
281.09305	5.1
293.09305	2.5
293.24835	1.7
299.25702	0.9
313.27454	1.3
341.26810	0.7
355.13025	0.6
359.28040	10.7
360.17719	0.5
373.26172	0.7
389.25558	1.0
433.28299	1.6
446.17056	5.7
478.19934	0.7
490.16306	1.9
503.32480	1.6
521.33368	100.0
522.18781	3.7
522.33606	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	521.2598
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
55.01868	1.6
57.03450	2.1
58.00591	1.1
59.01378	25.6
60.01692	0.3
67.01915	0.3
68.99823	0.4
69.03460	1.7
69.48911	1.3
69.49319	0.6
71.01381	42.3
71.05020	3.4
72.01717	0.3
72.99312	1.6
73.02945	13.3
73.98878	0.3
75.00868	1.1
81.03453	0.9
83.01389	3.9
85.02950	13.5
87.00878	1.8
89.02445	21.3
94.02969	0.3
95.01387	2.7
95.05016	0.3
97.02946	3.3
98.03731	0.9
98.19886	0.6
99.00880	9.5
99.04516	0.6
101.02442	23.3
103.00387	1.0
109.02966	1.7
109.06660	0.3
111.00887	0.9
113.02452	13.4
115.00381	0.3
115.03999	1.7
116.92870	0.6
119.03503	2.3
119.04974	0.5
123.04517	0.7
123.08170	0.5
124.05296	0.8
125.02435	5.3
127.04004	0.5
127.07626	0.3
128.03555	0.4
129.01956	0.5
131.03493	2.9
135.04472	0.6
137.09721	1.1
138.06891	0.3
139.07645	3.6
143.03525	2.1
149.04568	4.3
149.05737	0.5
151.03986	1.3
152.18622	0.3
153.09187	2.4
155.10773	15.9
159.02977	2.0
159.04338	0.6
161.04553	12.1
163.03999	0.5
173.06087	0.5
175.02505	0.3
179.03381	0.2
179.05609	0.9
181.04897	0.4
182.11583	0.3
189.05574	0.4
191.05656	1.8
205.03432	0.4
209.15437	0.6
227.16522	19.5
228.16792	0.8
233.06651	5.1
241.05045	0.9
253.08945	0.3
255.06570	0.7
272.02255	0.3
293.08801	4.8
297.07819	0.4
299.09348	0.6
309.41968	0.3
311.09280	0.3
313.10831	1.4
329.10291	1.1
329.13855	0.3
341.10211	0.3
343.11795	0.3
344.12616	3.6
345.09555	1.3
359.15024	11.3
360.15359	0.7
389.21793	13.6
390.22006	0.5
477.18564	0.4
521.26001	100.0
522.26416	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	521.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
59.01380	29.2
61.98832	10.8
62.60069	1.1
71.01384	10.5
71.52316	1.7
73.02952	6.9
83.05026	9.7
85.02959	3.5
89.02470	1.8
101.02430	5.9
112.98600	2.2
113.02464	3.7
115.92103	1.2
116.92879	2.3
118.31775	1.1
119.03523	1.1
126.48864	1.1
135.11794	1.9
136.07690	6.8
149.06102	1.2
152.01019	1.1
161.04611	1.6
174.05623	2.0
221.93875	1.1
265.12961	1.2
273.22147	9.7
310.13110	3.6
317.21198	100.0
318.21555	5.7
331.22769	6.5
359.22263	3.1
446.20996	2.5
461.25327	2.7
479.26648	1.9
490.19641	2.9
521.33466	13.1
522.22467	2.6
532.60046	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	521.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
59.01380	29.2
61.98832	10.8
62.60069	1.1
71.01384	10.5
71.52316	1.7
73.02952	6.9
83.05026	9.7
85.02959	3.5
89.02470	1.8
101.02430	5.9
112.98600	2.2
113.02464	3.7
115.92103	1.2
116.92879	2.3
118.31775	1.1
119.03523	1.1
126.48864	1.1
135.11794	1.9
136.07690	6.8
149.06102	1.2
152.01019	1.1
161.04611	1.6
174.05623	2.0
221.93875	1.1
265.12961	1.2
273.22147	9.7
310.13110	3.6
317.21198	100.0
318.21555	5.7
331.22769	6.5
359.22263	3.1
446.20996	2.5
461.25327	2.7
479.26648	1.9
490.19641	2.9
521.33466	13.1
522.22467	2.6
532.60046	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	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
57.03450	4.1
58.00586	1.3
59.01380	25.3
60.01690	0.4
61.98831	10.3
67.01865	0.3
68.99816	0.3
69.03456	0.5
69.22290	1.1
69.22715	1.3
69.28845	0.3
71.01380	30.0
71.05019	0.5
72.99292	1.9
73.02946	7.7
75.00877	0.6
83.01382	3.4
84.02180	0.3
85.02950	12.7
86.00107	0.5
87.00883	1.7
87.04504	0.6
88.98756	0.2
89.02445	11.5
95.01379	2.3
97.02968	0.6
97.06596	0.7
99.00880	3.2
101.02441	18.7
103.00402	0.5
107.03800	0.3
111.00862	2.1
111.08150	0.3
113.02448	10.6
116.92857	0.5
119.03506	3.9
119.05017	0.6
122.06129	1.6
123.08157	0.4
125.02505	0.7
127.11317	0.5
129.01944	0.5
131.03474	0.5
133.10185	0.3
137.09709	0.6
139.00401	0.3
141.01965	0.3
143.03476	0.8
149.04541	0.4
149.09741	0.3
151.11258	1.7
152.07169	2.7
155.10793	0.5
159.03004	1.4
161.04553	3.2
163.04053	0.6
167.03488	0.3
169.12329	0.6
171.13879	1.1
179.03461	0.4
179.05637	0.9
185.15501	0.4
187.13316	0.4
201.14940	0.7
211.13461	0.3
244.83112	0.3
265.06335	0.3
266.06958	0.5
271.22803	1.1
278.06824	0.3
281.09317	1.8
293.09293	0.9
293.24899	1.8
297.12512	0.4
299.25836	1.1
305.24847	1.1
311.25748	0.4
313.12009	0.8
313.27298	0.7
323.25879	0.4
333.19409	0.3
341.27121	0.5
359.28006	12.9
360.28253	0.5
372.20850	0.3
373.25903	0.8
389.25784	0.4
433.27908	1.4
446.17184	1.1
473.31152	0.5
478.20093	0.4
490.16174	0.5
503.32202	1.3
521.33313	100.0
522.18768	4.5
522.33618	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	521.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50484	0.2
55.01877	2.1
56.41735	0.2
57.03452	1.9
58.00590	1.5
58.93711	0.3
59.01379	26.0
61.98835	2.2
67.65807	0.2
68.60242	0.2
69.03430	0.5
71.01380	29.1
71.05003	0.4
72.01711	0.3
72.99323	1.5
73.02946	7.5
75.00858	0.8
83.01379	4.0
85.02950	12.7
86.00088	0.5
87.00874	1.4
87.04474	0.5
89.02438	12.0
95.01391	2.4
97.02948	0.8
99.00875	3.3
101.02444	19.8
103.00378	0.2
111.00905	1.8
111.08171	0.3
113.02446	11.2
119.03503	5.0
121.10233	2.4
122.06104	0.3
125.02435	0.5
125.09695	0.3
127.11269	0.9
129.01930	0.5
130.42969	0.2
131.03476	0.5
134.85452	0.3
135.04472	0.6
139.11266	0.3
143.03479	1.0
152.07083	0.3
157.12361	0.4
159.02988	1.9
161.04544	4.0
169.12297	0.4
171.13872	1.7
174.65811	0.3
179.03448	0.3
179.05551	1.2
183.13809	0.4
185.11758	0.4
187.13304	0.5
199.13177	0.4
200.14119	0.3
201.14954	8.8
293.08948	0.4
296.35516	0.2
299.25867	0.5
329.55804	0.3
357.26642	0.3
359.28006	13.9
360.28262	0.6
363.20309	2.1
373.25946	0.9
491.32031	0.6
503.32254	0.7
519.31506	0.3
521.33282	100.0
522.19019	0.4
522.33600	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	523.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46239	0.5
57.03441	1.9
59.01381	24.3
60.43945	0.6
61.98817	1.1
66.64109	0.6
69.75441	3.3
71.01382	5.5
73.02948	2.4
75.00874	0.9
75.95064	0.7
83.01382	1.2
85.02953	1.9
87.00837	0.7
87.04510	1.7
88.98801	1.7
89.02456	3.7
99.04525	0.8
101.02423	4.1
102.98597	1.0
109.06561	0.6
113.02428	1.9
117.05556	1.8
119.03534	1.4
125.02431	0.8
135.04501	1.9
135.06657	6.2
139.07698	0.7
139.11290	22.5
140.11656	0.8
144.22528	0.6
147.05031	0.5
169.12306	1.4
179.10783	0.9
181.12343	5.2
183.10257	25.0
184.10516	1.3
197.11888	0.7
209.11780	2.7
225.11275	6.1
243.12326	3.1
279.10809	1.6
297.11938	2.3
317.17944	0.6
318.17099	1.1
416.31924	0.7
463.21841	2.9
505.22839	3.2
523.23920	100.0
524.24255	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	523.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01365	2.7
61.98828	2.3
68.84998	0.7
69.79046	1.4
69.79443	2.3
78.95432	1.2
78.95901	24.1
87.68533	0.7
96.96973	2.1
101.55548	0.7
107.80801	0.8
113.09718	2.4
116.92799	1.1
121.03059	0.8
131.70923	0.7
132.11269	0.7
146.26234	0.8
152.99588	35.1
171.00613	2.2
171.10284	1.0
179.14415	1.2
183.10229	0.9
195.13890	19.8
198.57156	0.7
227.03355	3.5
245.04202	0.8
248.56796	0.8
251.23766	0.8
277.21701	18.6
278.21860	0.8
293.21259	0.9
295.22775	68.4
296.23090	3.3
355.53644	0.7
431.21704	1.1
523.26746	100.0
524.27063	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	523.2912
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
55.01876	1.3
57.03422	1.1
58.00567	0.4
59.01381	14.9
61.98826	1.1
69.03427	0.7
69.15908	1.3
69.16329	1.0
71.01385	10.4
72.99279	0.8
73.02570	0.3
73.02943	4.1
81.70864	0.2
83.01390	3.3
85.02950	8.1
86.00089	1.1
87.00859	0.7
89.02428	0.4
95.01370	1.7
97.02914	0.9
97.06565	0.5
99.00879	1.6
99.04485	0.8
101.01826	0.4
101.02447	7.7
111.00853	0.4
112.01624	0.6
113.02445	4.9
116.92817	0.3
124.01546	0.3
125.02422	0.6
142.02693	0.3
143.03468	0.9
159.02971	0.6
161.04581	1.3
189.12834	0.5
217.15962	4.2
218.16267	0.3
219.17543	1.3
263.16635	0.3
273.22189	0.7
301.21744	1.6
309.06955	0.3
319.22769	24.5
320.23148	1.5
343.22229	0.3
361.23965	0.4
389.23257	0.3
403.24969	1.6
411.76712	0.3
445.26233	0.4
463.26984	12.0
464.27393	0.8
481.28043	34.6
482.28485	2.2
514.02509	0.3
523.29089	100.0
524.29407	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	524.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48532	0.3
57.20193	0.3
59.01386	0.5
61.98828	1.8
69.32379	1.2
69.32805	0.8
71.01380	0.4
71.22689	0.2
73.02950	1.1
73.31236	0.2
80.95272	0.3
81.55466	0.2
86.46383	0.2
89.02454	0.3
98.20725	0.4
99.92580	8.8
100.92584	0.3
101.02444	0.4
103.90804	0.2
107.47058	0.2
116.07204	0.2
116.92858	100.0
117.01913	1.5
117.92873	3.4
120.35612	0.2
300.94052	0.2
420.63467	0.2
510.48297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12867	0.4
52.68697	0.5
59.01378	5.6
60.01712	0.6
61.98828	3.0
68.51682	0.4
69.25003	3.9
71.01392	0.8
106.06658	0.4
108.08178	2.2
109.08600	0.5
110.02452	1.2
112.04076	2.3
116.05078	4.0
121.05330	4.9
123.03261	5.3
124.04052	3.3
132.04543	8.5
136.07677	100.0
137.08067	2.1
138.05611	18.7
140.07147	0.9
148.07594	0.7
150.01901	0.5
150.05576	0.9
150.09248	1.3
153.04312	2.0
158.02518	2.9
160.04037	15.8
162.05534	0.5
164.07178	3.5
166.05072	0.7
172.04045	1.2
176.03522	4.5
182.04524	1.4
183.05377	0.5
184.06166	2.0
190.05087	12.6
191.05707	0.6
192.06654	48.8
193.06940	1.4
204.06645	1.5
212.10811	0.8
220.89857	0.4
228.10326	0.6
241.13448	2.6
253.13536	0.6
255.11290	2.3
267.11481	0.7
281.09351	2.6
281.12961	1.9
293.09204	1.2
299.10376	0.6
307.10837	1.0
309.12424	17.3
310.12827	0.9
313.15524	0.7
339.13449	11.3
340.13904	0.6
341.15027	54.6
342.15396	2.3
404.19760	1.0
405.18146	1.2
420.15649	1.4
421.17709	1.3
427.18216	0.4
430.17661	1.2
448.18765	11.5
449.18192	1.6
452.18069	0.5
462.20468	1.6
464.18582	0.6
474.16708	2.6
480.21536	1.7
492.17752	21.7
493.18073	1.6
506.19418	2.4
524.20404	10.6
525.20941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01544	1.1
52.57593	1.0
55.57191	1.0
57.03449	3.4
59.01381	11.4
61.98826	32.4
71.01385	3.0
71.28683	2.0
73.02932	1.9
75.60429	1.2
80.05067	6.3
85.02905	1.1
87.27981	1.2
87.29867	1.1
93.03455	1.6
96.23718	1.0
96.96033	1.3
99.04528	1.9
101.02438	3.6
104.42715	1.0
106.06631	10.6
108.04550	45.2
113.02431	2.3
115.77126	0.9
116.92848	1.4
121.05283	1.5
122.05344	1.0
122.06122	5.3
125.02471	1.5
130.02950	1.2
132.04553	12.5
134.06116	100.0
135.06529	1.8
136.04143	1.0
137.02426	2.1
138.02885	1.4
139.11327	3.1
144.04546	1.8
147.03351	1.2
148.07755	1.3
150.05623	2.5
152.07150	3.8
158.02463	4.8
160.04028	12.7
161.04626	1.9
162.05585	4.9
168.92853	1.3
172.03986	1.7
174.05531	2.9
176.03499	7.7
181.12332	2.3
183.10291	4.5
187.07283	1.1
190.05087	25.7
191.05751	1.9
211.12383	1.6
215.11885	2.6
223.08853	6.5
224.09471	5.2
225.11412	1.5
226.07568	1.2
235.08704	2.8
238.10847	1.2
239.08185	1.4
239.11900	20.3
240.10208	4.6
241.09874	2.9
243.12341	9.2
249.10342	3.8
251.08231	1.9
251.11902	2.9
252.10275	1.6
253.06238	5.7
253.09879	1.8
254.10287	1.3
255.07553	2.2
255.11337	1.9
263.08255	1.5
265.09760	2.5
266.06876	1.4
267.07779	4.6
267.11478	1.4
268.08478	9.9
277.09686	3.0
279.07672	2.5
279.11316	1.6
280.08578	3.9
281.09290	4.0
282.10129	1.6
283.10867	76.7
284.11288	3.5
285.13361	3.6
294.10123	3.7
295.10870	18.6
297.08755	3.2
305.09363	2.1
309.08871	2.5
311.10275	4.0
315.13623	2.6
317.15994	1.8
323.10318	3.1
337.11972	3.9
345.15479	4.7
371.02817	1.1
376.16760	2.3
402.14294	2.3
404.16107	20.5
405.17780	6.6
430.17664	33.9
431.17786	2.4
436.18793	4.4
448.14932	44.6
449.15485	1.9
456.15567	1.4
461.20261	6.4
462.20795	5.3
474.16675	66.5
475.17072	5.4
480.10703	1.9
480.17667	39.3
481.17905	2.8
492.17792	23.5
493.18201	1.8
506.19308	55.6
507.19830	4.5
524.20148	21.6
525.20215	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	524.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.3
61.98830	6.2
65.06130	0.4
71.01392	0.5
74.90422	0.4
80.05068	1.3
83.01460	0.4
94.06618	3.3
98.56511	0.4
102.03487	1.2
104.05062	0.9
106.06628	2.6
107.03773	5.0
108.04559	9.7
120.04543	0.7
121.05331	0.9
122.06123	30.0
124.07725	2.0
128.03554	0.4
130.03035	0.8
132.04559	8.7
134.06122	19.7
135.06735	0.4
139.02754	1.0
144.04523	0.5
146.06081	0.7
146.67542	0.4
147.03262	0.9
148.04076	0.5
149.04817	0.9
150.05612	1.7
152.07169	55.9
153.07483	1.1
158.02472	2.9
160.04031	5.5
161.04773	0.6
162.05576	2.0
164.03452	0.7
164.07172	1.2
166.05087	1.2
167.05855	0.5
172.04012	1.1
174.05649	1.4
175.12711	0.5
176.03551	4.2
176.07216	1.2
184.07841	0.5
190.05092	10.7
191.05833	0.5
192.06630	0.5
198.09271	0.4
202.04961	0.5
211.12270	2.3
215.11887	2.2
223.08690	5.0
224.07324	0.6
224.09444	5.3
227.08203	1.3
235.08655	0.5
236.09473	0.8
237.10298	1.0
238.11032	0.9
239.08099	0.9
239.11884	18.1
240.10414	2.9
240.12352	0.6
241.09869	2.2
243.12314	0.7
249.06691	0.4
249.10336	0.7
251.08200	1.2
251.11861	2.7
252.10320	0.6
253.06123	5.2
253.09801	0.7
254.06879	0.8
255.07675	1.6
255.11331	2.1
263.08261	0.6
265.09729	1.9
266.07193	0.6
266.10480	0.5
267.07709	4.2
267.11252	1.9
268.08490	4.8
271.10928	0.8
277.09735	1.1
279.07672	1.4
279.11298	0.6
280.08536	2.2
281.09232	1.8
281.12628	0.5
282.09958	0.7
283.10864	49.5
284.11234	2.5
285.03873	0.6
293.09393	0.8
294.10086	0.9
295.10876	10.3
296.11270	1.2
297.08890	0.7
297.12305	1.0
303.68344	0.4
305.09247	0.5
307.10748	0.6
309.08813	0.9
309.12216	0.6
311.10287	0.5
312.11069	2.6
315.13443	0.8
323.10214	1.9
327.09796	0.5
327.13553	0.6
337.11615	0.5
341.11429	1.5
345.15344	0.5
355.13126	2.1
376.16306	0.5
400.62244	0.7
402.18231	0.5
404.15839	3.6
420.19583	2.3
430.17825	6.6
436.18549	0.7
448.19247	33.7
449.19412	2.0
462.20303	0.6
464.18027	1.4
474.16708	11.9
475.16653	0.8
480.17340	6.7
481.18347	0.5
492.17755	100.0
493.18155	6.5
506.19330	8.2
507.19431	0.6
524.19897	17.2
525.20050	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	524.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68962	0.4
59.01381	9.5
61.98821	6.5
69.90877	1.9
71.01370	1.2
73.02947	0.7
75.23302	0.4
80.05070	0.6
85.02972	0.7
85.83314	0.4
89.02475	0.7
96.36044	0.5
101.02413	0.6
103.00386	0.6
104.05072	0.6
108.08189	2.0
108.24872	0.6
110.02468	1.6
110.41921	0.4
112.04025	1.7
116.05054	4.4
121.05318	4.7
123.02483	0.5
123.03285	5.6
124.04057	3.0
130.03009	0.6
132.04559	8.1
134.06134	0.8
136.07681	100.0
137.08029	2.1
138.05608	18.0
140.07159	0.8
144.04547	0.6
144.61580	0.5
148.95860	0.5
150.01833	0.5
150.05560	0.7
150.09225	1.4
152.03574	0.6
153.04315	1.7
154.68767	0.4
158.02454	2.2
160.04036	19.4
164.07173	3.4
166.05075	0.5
172.04065	0.9
176.03526	4.3
177.01888	0.8
182.04504	1.2
184.06149	2.3
190.05089	10.4
191.05884	0.6
191.39532	0.5
192.06659	44.6
193.07037	0.9
204.06662	2.0
212.10899	0.5
213.13930	0.6
241.13472	2.1
246.34061	0.5
253.09831	0.7
255.11392	1.4
256.09814	1.2
267.11407	1.2
272.09338	0.7
279.11438	0.5
281.09320	2.7
281.12930	1.8
283.02570	0.6
293.09329	1.5
309.12427	29.4
310.12814	1.8
313.11691	0.5
313.15485	0.6
339.13434	11.1
341.15042	47.3
342.15448	2.4
377.14935	0.6
404.19662	1.4
405.18250	0.6
420.15530	1.1
421.17853	0.9
430.17645	2.5
448.18787	10.4
449.17310	2.2
452.18185	0.8
459.11044	0.5
462.20279	1.4
474.16998	2.4
480.21539	0.9
492.17770	12.7
493.17661	0.9
506.19238	3.7
507.19672	0.6
524.20081	6.0
531.66925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47000	0.3
59.01379	17.5
60.01727	0.5
61.98537	0.7
61.98831	9.0
69.32150	3.2
69.43261	0.4
69.62579	0.4
71.01386	2.3
71.36034	0.4
71.44939	0.4
73.02950	0.9
85.02944	0.8
89.02459	0.8
99.00912	0.4
101.02428	1.2
103.00441	0.4
104.05074	0.7
107.07887	0.4
108.08192	3.5
113.02454	1.2
121.05334	5.0
132.04552	7.2
134.06131	0.7
135.03271	0.8
136.07678	100.0
137.08038	1.6
150.05719	0.7
150.09236	0.4
152.03542	0.8
153.04318	2.4
158.02402	0.8
160.04030	7.5
161.04553	0.9
162.05595	0.7
164.07164	0.8
176.03546	1.6
176.07118	0.4
186.04298	1.1
190.05148	1.3
192.06688	3.0
198.07904	0.4
199.08907	0.5
211.05070	1.0
211.08720	0.5
212.10909	3.5
223.40086	0.4
225.06726	1.2
226.07443	4.1
227.08388	0.5
227.11897	0.8
228.10262	0.5
229.13182	0.4
237.06676	0.4
238.07550	1.5
239.07935	1.9
239.11836	0.6
240.09007	8.7
241.13516	0.5
251.08540	0.4
252.09096	1.2
253.09810	0.6
254.10513	0.6
255.11378	26.2
256.11707	1.4
266.07010	0.5
267.11359	12.0
268.11920	0.5
270.11292	0.5
281.09366	3.7
281.12656	0.7
282.68265	0.4
287.14020	15.4
299.10431	0.9
299.14035	1.1
309.12195	0.6
313.11914	0.6
339.13498	0.9
374.15082	0.6
376.20432	0.6
404.19769	13.7
405.19839	0.7
430.17706	1.2
436.22382	28.4
437.22525	2.1
448.18735	31.5
449.18988	2.0
462.20486	1.2
464.27081	0.9
465.28790	0.8
480.21381	22.7
481.21661	2.2
482.28293	0.6
492.17670	7.7
524.20380	16.8
524.28271	0.7
525.20587	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83979	0.5
57.03418	0.6
59.01378	8.6
60.01706	0.4
61.98827	4.5
65.63982	0.5
65.99860	0.6
69.22272	3.8
71.01382	0.9
73.02960	0.8
85.02988	0.7
90.03504	0.6
93.03457	0.6
94.02975	0.5
95.03792	0.7
98.20675	0.9
101.02444	0.8
103.00372	5.0
108.04546	2.0
118.02988	0.8
119.03739	0.6
120.04571	1.0
122.06123	1.9
132.04561	1.1
136.04037	0.7
136.07660	1.3
137.02443	1.4
146.02486	12.1
146.06175	0.7
146.94333	0.5
147.03279	4.2
148.04060	6.1
150.05643	1.5
150.09247	1.7
160.04016	2.0
161.04713	0.8
162.01964	1.7
162.05574	0.7
163.02805	0.9
174.01958	21.5
175.02730	9.7
176.03525	11.7
176.07219	2.2
176.10779	1.1
188.03502	0.8
188.12373	0.6
189.04286	1.8
190.01385	0.5
190.05084	1.6
191.02261	0.7
192.03098	1.0
200.07211	1.1
202.05075	0.5
204.10324	2.9
205.03661	0.6
206.02782	0.9
206.04585	12.0
207.05305	1.7
208.06161	1.1
212.03554	0.6
212.07260	0.9
212.10847	0.6
213.06606	0.8
214.03677	0.6
214.07307	0.7
215.08308	1.3
216.10338	0.6
224.05844	0.7
226.05107	1.0
226.08768	1.8
227.04358	0.8
227.08174	1.0
227.11777	0.9
228.10281	0.7
230.10614	1.9
231.11322	1.1
239.08217	1.8
240.06596	2.3
241.06050	2.7
241.09839	1.0
242.06961	1.9
243.07745	3.7
245.09203	0.9
253.02646	0.6
254.08383	3.3
254.10603	0.9
255.04243	0.8
255.07854	4.6
255.11469	2.1
256.09946	5.6
257.09338	1.0
265.06198	0.9
267.03915	0.6
268.04883	4.8
269.05630	5.0
269.09134	3.7
270.06375	1.7
270.10034	2.7
271.10831	3.3
279.07901	0.6
280.08505	0.7
281.06699	1.0
281.09354	3.2
282.06317	3.9
283.07236	28.2
284.07932	2.2
285.12216	0.6
288.08060	0.5
295.07224	0.7
296.08099	1.7
297.05435	0.9
297.08798	18.6
298.09573	72.3
299.10324	25.2
300.10736	0.8
302.09155	1.0
309.08701	0.6
312.07520	1.4
324.07425	2.1
324.10910	1.0
325.08167	1.2
325.11911	2.7
330.12292	0.7
342.08612	3.6
343.09140	1.6
355.13086	0.8
357.14642	1.0
374.11182	1.2
405.18079	1.1
448.18750	100.0
449.19125	6.0
460.60709	0.5
474.16919	4.5
480.21490	2.5
492.17749	67.9
493.18103	4.4
523.34930	1.1
524.20459	14.6
525.21594	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	524.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52666	0.3
56.25726	0.3
58.05173	0.3
58.75982	0.3
59.01381	2.7
60.02816	0.3
60.23205	0.3
61.98829	100.0
71.01369	0.4
73.02941	0.5
74.18776	0.3
75.00873	0.7
85.56702	0.3
98.20659	0.6
107.97400	0.3
122.06155	0.4
142.87804	0.3
146.02483	1.3
147.03252	0.7
148.04066	0.6
152.07182	0.7
161.04691	0.4
174.01912	1.8
175.02747	1.0
176.03534	1.2
189.04352	0.4
204.00833	0.4
206.04628	1.3
229.40556	0.3
255.07825	0.4
256.09665	0.5
268.04935	0.7
269.05862	0.6
269.09250	0.4
282.06635	0.6
283.07309	2.9
296.07846	0.3
297.08807	1.8
298.09561	7.4
299.10242	2.5
342.08447	0.4
448.18808	12.0
449.19141	0.9
464.24762	0.5
474.17355	0.4
476.21622	0.3
492.17783	5.8
493.18335	0.6
524.20087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
57.42518	0.8
59.01378	37.1
70.08396	1.7
70.08801	1.9
73.02947	2.4
91.99490	0.8
97.54838	0.8
101.02451	2.7
120.21471	0.8
139.11296	25.3
165.09244	1.1
169.12387	1.2
181.12338	13.5
183.10262	36.6
199.13414	4.0
225.11314	13.9
243.12361	100.0
244.12714	3.7
250.09576	0.9
257.13858	1.7
285.13416	30.8
286.13629	1.2
315.14508	10.2
316.14740	1.0
327.15387	1.0
345.15503	51.9
346.15784	2.3
405.17624	51.8
406.18024	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	525.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
58.00587	1.1
59.01379	8.8
61.76061	0.4
65.03934	0.6
69.94741	2.0
71.01387	2.0
73.02939	5.8
77.23326	0.5
81.44048	0.5
83.01385	6.4
83.01839	0.7
85.02943	0.8
87.04504	1.5
93.03455	88.7
94.03777	1.5
101.02435	3.2
109.06549	0.9
113.02371	0.5
125.02460	0.5
126.84457	0.4
137.02440	100.0
138.02823	1.4
139.07649	0.5
139.11287	8.3
151.11235	1.0
165.09166	1.3
167.10753	0.5
169.12325	2.7
172.84158	0.4
179.10721	1.9
181.12321	4.4
183.08658	0.9
183.10258	14.3
184.10634	0.5
188.35222	0.5
190.01996	0.5
197.11757	2.5
207.10277	0.4
225.11319	14.4
229.18275	0.5
243.12360	19.2
244.12625	0.9
249.11266	1.5
267.12311	2.0
285.13440	3.4
291.12372	2.4
309.13504	1.2
315.14395	0.8
327.14468	7.1
345.15390	2.3
387.16592	13.7
388.17038	0.9
405.17709	1.7
525.19733	30.3
526.19727	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	525.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73328	0.4
59.01379	1.1
61.98811	0.6
71.01393	0.5
71.51643	0.8
89.02490	0.6
95.44009	0.5
107.05017	1.2
108.02167	1.2
109.02956	0.5
121.02970	5.7
122.03745	8.3
123.04539	0.9
134.03738	30.1
135.04520	10.1
137.02441	1.1
137.06068	1.4
146.03748	17.3
146.58315	0.5
147.04497	1.5
149.06075	45.9
150.03188	3.6
150.06401	1.0
154.02641	0.6
161.06081	10.2
162.03203	2.3
163.04031	0.8
164.04791	8.8
165.05569	30.3
166.06352	13.2
167.07132	100.0
168.07460	1.9
177.05559	2.4
179.07132	56.0
180.07440	0.9
193.08658	1.3
195.22823	0.5
221.08176	10.4
239.09253	2.4
303.18063	0.5
315.12384	35.1
316.12665	2.0
327.12369	7.1
329.12570	2.3
345.13422	13.7
363.14490	16.4
364.14777	0.7
477.17841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55407	0.3
59.01374	1.2
61.98825	0.7
71.01384	0.8
71.51765	0.3
85.02880	0.4
87.00893	0.6
100.01058	0.3
101.02453	0.4
101.07817	0.3
107.05013	0.8
108.02151	1.0
109.02975	0.3
111.04493	0.7
113.02455	0.4
119.05090	0.4
121.02949	3.8
122.03740	12.3
123.04529	0.7
124.01658	0.9
134.03743	10.0
134.91760	0.4
135.04538	6.0
137.02502	1.9
137.06100	1.1
146.03729	13.5
147.04498	1.3
149.06076	15.2
150.03210	1.2
154.02719	1.4
161.04817	0.3
161.06079	7.6
162.03233	2.8
164.04790	8.2
165.05571	20.0
166.06342	6.4
167.07130	100.0
168.07462	2.6
177.05562	2.9
179.07130	37.9
179.08769	0.7
180.07478	0.7
180.31235	0.4
193.08691	1.1
195.06645	0.5
212.67638	0.4
221.08179	6.0
239.09216	1.4
248.91043	0.3
301.51172	0.4
315.12357	9.7
327.12338	3.7
328.12845	0.4
329.12320	0.6
345.13458	3.9
352.86365	0.4
363.14444	10.6
364.14822	0.5
383.13104	0.4
525.19690	1.0
525.28009	0.7
546.52942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
56.35226	0.9
59.01379	27.0
61.98821	3.2
70.64203	2.4
71.01380	18.7
73.02951	2.1
83.01398	2.4
85.02950	3.6
87.00869	3.2
89.02448	25.7
95.01375	1.4
101.02438	13.5
103.05558	1.2
103.78302	1.1
105.03459	1.6
108.02170	3.6
113.02454	9.1
116.92840	1.2
119.03490	11.8
119.05019	1.3
122.03745	4.1
123.04497	2.1
127.27315	1.0
131.03491	1.3
134.02731	2.3
134.03741	38.4
135.04539	5.5
143.03551	2.8
145.02971	1.9
146.03737	53.2
147.04543	16.9
148.05215	2.0
149.06076	35.7
150.03174	2.8
161.04572	4.7
161.06053	25.4
163.04008	1.6
164.04781	33.4
165.05536	3.5
166.06232	1.5
167.07127	38.7
177.05476	1.7
179.05594	21.1
179.07094	100.0
180.07416	2.6
193.08611	1.6
221.08168	2.9
293.97498	1.0
302.17719	2.4
303.17825	3.5
327.12326	3.4
328.11676	2.6
329.12390	39.7
330.12640	1.6
342.63226	1.1
383.13461	26.7
477.17630	16.4
489.17627	18.9
505.86938	1.3
507.18839	7.2
525.19824	8.6
525.28302	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	525.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33482	0.4
57.03445	1.6
57.34597	0.4
58.00597	0.6
59.01379	33.8
60.01704	0.5
60.04713	0.4
61.98831	2.3
65.07508	0.3
68.49534	0.3
69.71722	1.4
71.01381	3.1
73.02949	6.3
81.03439	0.8
83.01389	6.9
85.02957	1.5
87.04512	1.5
90.69120	0.3
93.03450	1.6
95.05043	0.5
97.02953	0.6
97.06573	0.4
101.02438	2.9
101.81095	0.3
103.00388	0.4
106.04256	4.0
107.05019	2.2
108.02164	1.0
109.06593	0.4
113.02460	0.5
119.05022	6.1
123.04523	0.4
125.02468	0.7
125.06099	0.7
127.07643	0.5
134.03708	0.4
135.04507	0.6
137.06082	89.0
138.06407	1.9
139.07713	0.6
139.11285	9.6
151.11324	0.5
158.41161	0.4
161.09700	0.5
163.11284	0.8
163.60115	0.4
165.09196	0.6
167.10849	0.4
169.12349	2.9
177.12926	0.4
179.10809	1.6
181.12335	4.6
182.14473	0.4
183.10254	12.9
184.10593	0.6
195.13896	0.9
197.11763	2.1
197.45189	0.3
199.13531	0.5
207.10225	0.8
222.87036	0.4
225.11316	10.6
226.11565	0.5
231.10141	0.8
240.12061	0.4
243.12364	9.8
249.11275	1.2
255.02968	0.9
267.12338	1.2
277.12292	0.5
284.03238	0.9
285.13519	1.4
291.12424	1.5
309.13452	0.7
327.14374	3.2
331.12766	0.4
345.15604	0.7
369.15475	0.4
387.16556	3.0
405.17584	0.8
449.18924	0.6
489.10455	1.0
493.18164	0.9
507.22330	3.2
525.23401	100.0
526.23804	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	525.3073
Annotation	Lemnaloside C
Peak:m/z	Relative Intensity
50.92733	0.2
52.30801	0.2
54.49395	0.3
57.03449	0.7
59.01381	100.0
60.01720	0.6
61.98836	4.7
69.19730	0.9
69.20159	1.2
71.01382	9.5
72.87168	0.2
72.99311	0.6
73.02943	2.7
75.00880	0.5
83.01389	1.1
85.02948	3.5
87.00887	0.6
89.02445	3.3
89.79562	0.3
95.01419	0.8
97.03003	0.3
99.00897	0.9
99.04560	0.2
101.02446	5.7
111.08134	0.3
113.02453	6.0
117.79617	0.3
119.03480	1.4
125.02480	0.4
131.03560	0.4
135.03055	0.8
136.07666	3.5
137.08058	1.0
143.03525	0.8
161.04541	2.3
166.16762	0.3
169.81119	0.2
179.05679	0.6
206.78641	0.2
255.11375	0.7
256.11752	0.7
261.11328	0.3
268.11682	0.2
285.13651	0.3
288.14276	0.4
289.18256	0.3
303.14597	0.4
303.23431	0.4
321.24255	0.6
342.83487	0.2
358.60361	0.4
371.20645	0.3
402.02951	0.3
405.20218	0.6
437.22769	1.3
449.18988	1.6
465.28604	4.5
466.28809	0.4
481.21790	0.9
481.32028	0.4
483.29617	4.4
489.27246	0.3
493.18149	0.4
525.20667	0.7
525.30902	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98828	100.0
69.56871	1.1
75.00862	0.3
100.21027	0.2
108.02177	0.2
131.38144	0.2
140.06816	0.2
151.00447	0.3
151.68211	0.2
178.99913	0.3
189.65778	0.2
243.03131	0.3
255.02896	1.0
265.36838	0.2
268.68350	0.2
271.02496	2.0
290.29245	0.2
300.02740	4.1
301.03470	2.0
336.86139	0.2
412.25800	0.3
460.88940	0.2
463.08768	5.6
464.09354	0.3
466.22989	0.3
527.28662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03447	58.5
58.00588	2.0
59.01378	100.0
60.18605	1.1
61.98824	2.3
68.30273	1.2
69.03422	1.9
71.01378	52.6
72.44556	1.2
72.99315	2.6
73.02946	37.9
79.05544	1.9
81.03490	3.2
83.01377	8.4
85.02952	9.5
87.00861	4.1
89.02441	51.1
95.01322	1.3
95.04997	1.4
97.06567	2.8
99.04513	45.2
101.02438	64.9
113.02444	31.3
113.06065	3.5
119.03491	25.1
123.04527	20.3
125.02441	28.3
130.89732	1.1
131.03517	6.2
137.09720	13.3
138.10126	1.5
141.05562	3.2
143.03500	11.6
149.04564	9.8
151.67996	1.2
153.05600	2.8
161.04558	47.4
161.09668	1.6
176.71071	1.1
179.05602	52.8
203.05556	2.6
203.10764	14.1
221.06657	9.1
221.11842	5.1
226.30771	1.2
230.94482	1.3
233.06662	1.6
263.07660	11.8
323.09793	22.5
383.17130	9.3
425.18198	1.9
429.17535	3.7
527.21405	38.1
528.21490	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	527.2136
Annotation	Dutasteride
Peak:m/z	Relative Intensity
57.03451	3.7
58.00620	1.3
59.01379	28.9
61.98834	8.4
69.03472	1.3
71.01387	8.5
72.99326	0.8
73.02948	5.6
75.00881	1.0
82.02964	0.8
83.01396	4.1
83.05022	11.8
85.02959	2.9
87.04498	1.6
88.82182	0.7
89.02449	1.9
92.18790	0.8
95.01382	1.2
95.05019	0.9
97.02949	2.5
97.06586	0.7
99.04523	2.7
101.02433	2.2
103.00372	100.0
109.06581	0.8
113.02454	2.0
121.01239	0.7
121.02945	0.8
121.25558	0.7
123.00890	8.4
123.04451	1.4
124.01662	50.3
125.02484	9.1
135.04512	0.7
137.02412	0.9
137.06052	1.4
137.09734	1.0
138.03201	2.0
139.04016	32.6
139.11281	11.2
149.09700	1.0
151.11278	0.6
154.61705	0.7
165.09137	1.1
167.10655	0.7
169.12386	1.1
179.10715	2.4
181.12361	3.5
183.10254	18.7
197.11711	1.6
203.10699	2.1
225.11334	10.0
229.16458	0.7
243.12341	8.8
249.11174	0.7
254.15018	0.7
285.13226	0.8
287.10245	0.9
327.14148	2.8
345.15640	1.3
351.21634	6.8
387.16208	0.8
393.22568	1.9
405.17191	2.3
413.79941	0.7
453.17224	1.2
509.20105	3.6
527.20770	75.6
528.21167	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	527.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.7
58.00620	1.3
59.01379	28.9
61.98834	8.4
69.03472	1.3
71.01387	8.5
72.99326	0.8
73.02948	5.6
75.00881	1.0
82.02964	0.8
83.01396	4.1
83.05022	11.8
85.02959	2.9
87.04498	1.6
88.82182	0.7
89.02449	1.9
92.18790	0.8
95.01382	1.2
95.05019	0.9
97.02949	2.5
97.06586	0.7
99.04523	2.7
101.02433	2.2
103.00372	100.0
109.06581	0.8
113.02454	2.0
121.01239	0.7
121.02945	0.8
121.25558	0.7
123.00890	8.4
123.04451	1.4
124.01662	50.3
125.02484	9.1
135.04512	0.7
137.02412	0.9
137.06052	1.4
137.09734	1.0
138.03201	2.0
139.04016	32.6
139.11281	11.2
149.09700	1.0
151.11278	0.6
154.61705	0.7
165.09137	1.1
167.10655	0.7
169.12386	1.1
179.10715	2.4
181.12361	3.5
183.10254	18.7
197.11711	1.6
203.10699	2.1
225.11334	10.0
229.16458	0.7
243.12341	8.8
249.11174	0.7
254.15018	0.7
285.13226	0.8
287.10245	0.9
327.14148	2.8
345.15640	1.3
351.21634	6.8
387.16208	0.8
393.22568	1.9
405.17191	2.3
413.79941	0.7
453.17224	1.2
509.20105	3.6
527.20770	75.6
528.21167	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	527.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75006	0.3
51.23444	0.3
58.99440	0.3
59.01374	1.1
61.98829	100.0
65.52083	0.3
66.35973	0.3
69.01475	0.3
70.98916	0.5
71.01382	0.9
87.00890	0.9
88.98809	0.6
89.02453	0.7
89.80476	0.3
96.96018	1.1
100.80231	0.3
101.02472	0.4
113.02416	0.5
119.05036	0.8
130.08748	0.4
130.94398	0.3
134.03773	0.7
135.04417	0.5
146.03696	0.5
147.04086	0.4
149.06123	0.7
150.06494	0.4
161.04633	0.4
161.06032	0.5
163.04094	0.5
163.99675	0.3
164.04774	0.4
167.07111	0.4
168.06459	0.3
179.05725	0.5
179.07037	1.7
180.07504	1.0
181.07843	0.4
329.10254	0.7
385.14178	0.4
527.19305	0.5
527.31787	0.9
528.29944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
61.98828	100.0
67.95704	0.3
71.01408	0.3
76.52229	0.3
84.53381	0.3
87.05576	0.3
98.19868	0.7
99.04513	0.4
108.29819	0.3
128.03511	0.4
131.07123	1.5
132.07478	0.4
164.15044	0.3
165.05595	0.4
165.10275	0.3
173.08177	0.6
182.13025	0.4
193.07870	0.3
227.18767	0.3
247.40419	0.3
318.17160	0.8
367.44037	0.3
398.27856	1.0
484.27994	0.3
496.17490	0.6
527.31970	1.1
528.20270	0.4
528.30688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85390	0.5
57.03450	4.4
58.00579	0.7
59.01378	22.4
61.98827	4.4
69.03452	1.5
69.18752	4.3
70.90384	0.5
71.01380	5.8
73.02951	2.2
75.00882	0.8
83.01392	1.3
83.05025	12.2
85.02947	1.6
87.00911	0.8
87.04510	0.9
89.02412	1.1
91.49814	0.4
97.02953	1.5
97.06585	0.5
99.04516	2.8
100.59364	0.4
101.02460	1.9
103.00372	100.0
104.00683	0.9
111.08148	1.3
111.57822	0.4
113.02489	1.1
113.06050	0.4
118.97986	0.4
123.00860	1.8
123.04476	0.7
124.00745	0.6
124.01657	12.3
125.02469	2.7
125.06064	0.8
127.07607	1.0
135.11787	0.6
137.06073	0.9
137.09705	0.7
139.02946	0.5
139.04010	8.2
139.11301	5.2
149.09630	1.0
155.07103	1.0
179.10786	2.0
181.12337	1.9
183.10257	8.3
197.11894	0.7
203.10713	2.6
205.81470	0.4
225.11276	2.9
239.12968	0.7
243.12355	10.8
244.12692	0.7
245.12798	0.7
250.28450	0.5
285.13278	2.7
315.14404	1.0
345.15515	4.4
351.21811	7.6
393.22797	1.6
405.17587	4.2
407.18399	0.6
447.63000	0.5
509.19934	0.6
527.21667	14.4
527.24237	12.7
528.25415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	0.5
59.01377	12.2
61.98816	1.5
63.19093	0.4
69.03433	0.7
71.01384	3.9
72.99297	1.2
73.02950	0.7
74.77670	0.4
75.00858	1.1
83.05004	1.0
85.02979	0.9
87.00877	0.5
87.04530	0.7
89.02435	0.7
97.06590	1.2
98.20692	0.8
99.04516	3.7
101.02432	0.5
103.00372	100.0
104.00705	0.8
105.01936	5.6
107.05016	0.4
109.06598	0.6
111.10382	0.3
113.02443	0.5
119.04951	0.5
119.08682	0.9
135.08170	0.7
137.09712	1.5
139.04179	0.4
153.09186	0.6
165.09174	0.5
177.09209	0.4
181.08676	0.8
183.10309	0.4
206.20680	0.4
225.11143	0.5
243.12354	0.7
253.41011	0.4
351.21719	12.4
393.22903	1.6
527.17010	0.7
527.24976	14.0
528.25256	1.1
532.03217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23425	0.2
57.03430	0.8
58.00586	0.5
59.01378	12.6
61.98827	4.9
62.79243	0.2
69.03448	0.5
69.28085	0.4
69.28439	2.0
71.01012	0.4
71.01381	5.3
71.04984	0.2
72.99288	0.6
73.02938	1.2
75.00883	1.6
81.07104	1.7
83.05016	1.6
85.02958	0.8
87.00883	0.2
87.04506	0.8
89.02454	0.7
95.05022	0.8
97.02961	0.7
97.06605	0.5
99.00903	0.4
99.04520	0.5
101.02436	0.4
103.00372	100.0
104.00703	0.9
107.05028	1.3
113.02438	0.4
113.06126	0.2
119.08675	1.9
125.02523	0.3
135.08148	0.9
137.09714	4.1
137.10718	0.4
138.05615	0.2
139.00221	0.3
151.07605	0.2
153.09167	0.3
159.02965	0.3
163.07642	0.7
165.09164	0.2
169.12340	0.3
175.02463	0.4
177.09180	0.3
181.08704	2.1
191.14391	0.3
195.10265	0.3
270.23370	0.3
299.09781	0.3
307.02893	0.3
333.20703	0.9
351.21741	8.6
352.22025	0.4
393.22769	1.4
413.36911	0.2
456.21445	0.3
457.63043	0.2
463.17172	0.3
485.34842	0.4
495.19012	0.3
527.24988	16.6
527.36011	2.2
528.24957	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2989
Annotation	Milbemectin
Peak:m/z	Relative Intensity
50.03092	31.7
53.25867	37.7
61.98826	59.4
67.40074	34.9
69.44709	37.6
70.52796	35.9
95.73069	34.2
98.20680	100.0
153.29033	35.6
190.25305	35.1
313.18323	46.9
338.10678	39.4
527.30127	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
57.03456	0.6
59.01378	100.0
60.01716	0.6
60.02015	0.1
61.98827	1.2
68.99568	0.1
69.03464	0.3
71.01380	5.5
71.51761	0.2
72.99290	0.2
73.02941	2.0
75.00878	0.1
83.01386	0.7
83.05054	0.1
84.05504	0.1
85.02942	2.6
87.00877	0.3
89.02460	0.4
95.01402	0.5
97.02950	0.3
97.06590	0.3
99.00890	0.7
99.04517	0.2
101.02438	3.5
103.00368	7.4
105.01926	1.1
113.02448	2.3
125.02473	0.2
134.89456	0.2
137.09775	0.1
143.03510	0.3
158.06104	0.1
159.02992	0.5
161.04524	1.9
207.13995	0.2
209.11780	0.2
218.52962	0.1
225.14914	0.3
227.12849	1.3
244.84229	0.1
255.03076	0.3
256.03406	0.2
269.14078	0.4
284.03247	0.2
285.03937	0.2
287.14993	1.7
326.89627	0.1
329.16196	0.2
333.20947	0.1
337.87732	0.1
351.21600	0.7
375.23172	0.1
375.27667	0.5
376.28021	0.4
389.18170	0.3
449.20465	0.4
452.18079	0.2
467.24677	0.2
467.30286	1.0
485.31149	1.1
486.32016	0.2
489.10281	0.3
490.10983	0.1
527.25110	1.1
527.32544	1.0
528.24622	1.8
529.30176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38135	0.8
51.09288	0.7
54.92150	0.7
55.01882	0.7
57.03443	2.6
58.35038	0.7
59.01378	100.0
60.01707	2.3
61.98831	7.7
68.99576	0.7
71.01381	9.5
71.50933	1.2
72.00207	0.7
72.99318	1.0
73.02920	6.0
75.00868	2.2
83.01398	2.6
85.02958	3.0
85.89641	0.7
87.00905	1.0
88.88080	0.7
89.02456	3.3
95.01391	1.4
96.04549	4.4
99.00871	1.2
99.04541	2.1
101.02445	5.8
103.00368	18.8
104.00713	1.7
104.03545	0.9
104.33453	0.9
105.01925	1.7
113.02481	4.2
113.54281	0.7
113.65661	0.7
125.02453	1.1
129.01955	1.2
149.04652	1.1
161.04527	2.7
177.03984	0.9
207.13899	3.4
209.11792	5.6
225.14963	8.3
227.12881	38.6
228.13258	1.0
241.06001	0.8
241.59082	0.9
251.12764	0.9
269.09244	1.3
269.13937	3.3
287.14996	7.3
300.10864	1.1
351.21649	1.1
353.23541	0.9
359.23401	0.8
389.18353	0.9
394.14343	0.8
418.78641	0.8
449.20679	0.9
452.18155	1.8
496.17307	1.1
510.23419	9.9
528.24487	93.9
529.25684	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96231	1.2
53.45932	1.2
57.03448	77.8
59.01378	71.8
61.98831	20.8
63.99239	2.2
71.01011	2.4
71.01379	29.6
71.51111	2.0
72.99302	1.6
73.02945	10.6
81.03454	3.8
83.01367	6.9
85.02954	11.0
89.02447	14.7
95.05014	1.5
97.02943	2.7
98.24358	1.6
99.00903	2.9
99.04519	100.0
101.02439	34.6
103.00369	1.6
113.02444	11.8
119.03480	6.4
119.05066	1.5
123.04498	4.8
125.02444	50.8
126.02798	1.5
138.06876	9.2
139.07634	2.2
143.03476	7.0
149.04547	1.8
149.06047	1.5
151.00386	13.9
151.07678	6.6
152.08429	15.1
153.09209	43.7
154.09544	1.6
161.04550	19.1
169.01401	10.7
179.05573	4.8
190.09924	1.4
190.21153	1.4
205.12331	22.1
205.14145	2.6
213.87537	1.3
223.13406	10.8
225.44150	1.2
261.37759	1.2
263.07602	3.6
323.09738	5.2
367.17606	31.8
368.18024	1.6
385.13812	1.8
385.18640	28.8
386.18973	1.4
427.19711	13.9
428.20020	1.6
467.22632	2.9
485.23767	6.8
529.15356	13.8
529.22870	28.0
529.30609	2.5
530.23553	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	529.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09188	1.2
57.03447	53.8
58.00611	2.4
59.01378	100.0
61.46327	1.4
61.98827	28.8
67.55318	1.4
68.18465	1.3
69.03458	2.1
71.01380	48.3
71.52190	2.2
72.99309	3.2
73.02946	44.8
75.00902	1.4
79.05530	2.9
81.03455	4.6
83.01386	11.1
85.02947	8.0
87.00859	2.5
88.98799	3.7
89.02442	36.2
89.02950	2.9
94.02937	1.5
95.01389	2.5
96.96004	3.9
97.02915	1.9
97.06577	3.3
99.04516	68.6
101.02441	65.1
109.06593	1.8
110.40618	1.2
113.02453	29.0
113.06077	4.2
119.03502	19.7
123.04511	16.7
123.48580	1.4
125.02445	48.5
126.71873	1.5
127.54084	1.4
128.03568	1.5
131.03494	4.8
138.79433	1.4
141.05571	2.3
143.03479	10.3
149.04568	8.8
151.00362	2.3
153.05565	3.2
155.03467	1.5
161.04561	42.4
169.01357	1.6
179.05606	30.7
179.10750	1.8
186.86768	1.3
203.05600	2.9
205.12317	3.9
221.06720	8.8
233.06670	1.8
263.07642	5.7
271.32220	1.2
281.39709	1.5
323.09848	14.0
386.56030	1.6
485.23843	4.5
529.22693	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	529.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
57.03450	82.2
59.01380	92.4
61.98826	5.9
69.03439	1.7
70.13905	2.8
70.14288	2.6
71.01379	31.5
73.02947	15.0
81.03427	3.1
81.86905	1.4
83.01388	5.9
83.05051	1.9
85.02944	24.4
87.00867	10.1
88.64048	1.2
89.02447	14.6
95.01405	2.3
97.02952	3.1
97.06582	1.4
98.20020	1.5
99.00867	4.3
99.04524	100.0
101.02444	46.4
113.02449	15.7
118.37410	1.2
119.03508	4.9
121.06579	4.5
123.04527	7.6
125.02451	57.0
129.01917	2.0
130.08752	2.4
137.09746	15.4
143.03493	6.3
149.04523	3.4
150.75462	1.4
159.03067	2.3
161.04553	23.4
165.09183	4.8
175.11310	3.5
177.12767	3.2
179.05629	3.8
179.10768	5.0
183.06680	1.3
187.11298	6.0
203.10727	1.8
204.11588	3.3
205.12335	66.4
208.10963	1.4
223.13390	8.9
229.12257	4.0
231.13893	1.7
235.08078	1.4
247.08051	1.5
247.13350	8.9
248.75822	1.5
259.13376	5.0
277.14407	6.2
294.96078	1.3
323.09723	1.7
349.16400	11.4
351.21436	1.7
367.17603	16.8
385.18518	3.6
409.18594	5.8
427.19470	3.7
467.22705	1.9
469.06448	3.0
491.21289	3.9
529.21863	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	529.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03448	75.9
58.00582	1.1
59.01380	100.0
60.01715	0.7
61.98831	9.7
69.03467	1.9
70.31145	0.6
70.52875	1.4
70.53196	0.8
71.01379	25.3
71.05012	1.1
72.99313	1.3
73.02944	24.0
75.00874	7.7
81.03489	2.0
83.01393	4.9
83.05025	3.3
85.02953	7.3
87.00904	2.7
87.04513	1.0
89.02444	14.7
95.01400	0.7
95.05051	0.7
97.02982	0.9
97.06628	1.6
99.00873	3.9
99.04517	87.2
100.04889	1.1
101.02443	29.5
101.03091	1.5
103.00375	30.3
103.32989	0.6
109.06558	0.8
113.02448	9.3
113.03166	0.9
113.06129	1.3
115.04138	0.9
115.90572	0.7
119.03504	4.3
123.04581	1.9
125.02444	41.8
129.01950	3.7
131.03558	2.1
135.08234	0.7
137.09798	2.4
139.11320	0.9
143.03484	5.0
143.45609	0.7
149.04672	2.5
149.09723	0.7
151.11276	1.2
153.09204	1.3
158.90837	0.6
159.03102	1.2
161.04549	5.6
167.10890	1.5
177.04028	6.1
179.05757	1.6
181.12433	1.1
183.10455	0.7
191.05725	0.7
195.05147	0.9
195.13972	1.6
199.13541	0.9
205.12308	9.1
217.31856	0.7
223.13368	18.6
225.14906	0.8
227.13022	1.5
264.34323	0.7
285.04233	0.8
287.15305	1.6
288.15796	1.6
351.21729	4.9
353.23770	2.2
367.18143	3.3
367.21826	2.5
385.14133	1.0
385.18661	20.5
386.19659	0.7
427.19644	13.3
445.00049	0.8
467.23779	2.1
485.24918	2.2
507.93259	0.7
529.27423	31.2
530.27271	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	529.2647
Annotation	Pharboside E
Peak:m/z	Relative Intensity
50.30012	0.2
53.05223	0.2
55.01883	3.5
57.03447	2.7
58.00594	1.5
59.01379	33.6
59.04614	0.2
59.29957	0.2
60.01701	0.2
61.38214	0.2
61.98832	1.0
69.03452	1.6
69.72844	0.3
69.73141	1.3
71.01379	61.9
71.05037	0.2
72.01717	0.3
72.99310	2.3
73.02944	22.7
73.68498	0.2
75.00861	1.4
81.03461	0.9
83.01382	6.5
84.02165	0.3
85.02949	23.5
86.00092	1.8
86.03308	0.4
87.00878	4.9
87.04527	0.3
89.02441	37.0
90.02759	0.3
95.01383	4.9
97.02963	3.2
99.00877	11.8
99.04514	0.7
101.02439	38.2
101.06087	1.3
102.02785	0.4
103.00378	0.7
109.02946	0.2
111.00867	0.6
112.01701	0.3
113.02447	21.8
115.04007	2.1
115.25665	0.2
119.03497	8.2
120.98790	0.2
125.02439	5.2
127.04015	0.4
127.59528	0.2
129.01952	1.0
131.03497	6.9
141.01900	0.3
143.03485	4.4
147.11790	19.8
148.12173	0.5
149.04546	17.4
159.03003	3.4
159.06615	8.0
161.04546	19.9
164.48741	0.2
178.00706	0.2
179.05598	9.9
191.05611	4.1
205.03401	0.3
215.05620	0.3
221.06664	1.3
233.06668	3.0
249.07187	0.3
249.09769	6.8
249.12251	0.5
251.07678	1.9
275.07629	0.4
293.08755	2.0
311.09824	0.4
381.09055	0.4
381.13992	8.5
397.22290	13.6
398.22623	0.8
511.25302	0.4
529.26501	100.0
530.26868	7.1
534.47198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80196	0.5
59.01376	13.0
61.98834	6.9
66.35370	0.5
69.03432	0.5
69.44269	4.1
71.01384	5.8
73.02944	1.1
83.01386	0.6
85.02943	1.2
87.00895	0.8
89.02453	4.4
95.01447	0.6
99.00888	0.5
101.02435	5.9
110.07012	0.5
113.02460	2.6
113.09756	0.6
119.03505	1.6
119.82512	0.6
129.74472	0.6
143.03516	0.7
161.04588	3.3
161.05750	0.5
179.14357	0.9
195.13907	9.0
196.14420	0.6
205.12137	0.6
211.13417	1.0
223.13387	5.6
227.12944	0.5
235.16954	1.9
253.09280	29.5
256.13181	1.1
275.20178	7.8
277.85809	0.6
293.21216	100.0
294.21588	4.1
307.75168	0.6
492.22192	1.3
529.29987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01379	100.0
61.32574	0.3
61.98830	5.9
69.64767	1.4
71.01381	7.3
71.98067	0.3
73.02943	2.3
78.53975	0.3
83.01415	1.0
85.02943	3.2
89.02438	2.1
95.01402	0.5
97.02938	0.4
99.00881	1.0
101.02437	3.6
103.00368	0.5
113.02450	4.0
116.92924	0.5
119.03526	0.5
125.02460	0.3
138.09616	0.3
143.03574	0.6
149.24078	0.3
159.02983	0.6
161.04539	3.2
183.13934	0.5
197.11836	0.8
209.11931	0.4
220.03279	0.3
253.09320	0.8
266.83896	0.3
275.20184	0.5
293.21118	2.7
370.15570	0.4
451.30725	0.9
469.31656	4.4
469.37167	0.4
470.32004	0.3
487.32834	3.2
529.26813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67648	0.5
53.07107	0.5
58.00587	0.5
59.01379	100.0
59.26300	0.4
60.01701	0.8
61.98832	6.3
64.42941	0.4
65.31330	0.4
69.21928	0.5
69.29018	3.4
71.01381	11.6
72.99326	0.7
73.02953	5.7
80.81846	0.4
83.01410	1.8
85.02968	2.4
87.00893	1.1
89.02440	6.1
95.01415	0.9
96.36491	0.5
97.02923	0.7
98.20761	0.6
99.00889	0.5
101.02440	6.3
113.02452	9.1
113.03175	0.8
119.03526	2.1
131.03497	0.8
143.03534	0.8
161.04541	2.8
179.05659	1.4
183.13942	1.0
331.04987	0.5
332.66473	0.4
381.64429	0.6
469.31882	1.3
487.32907	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
57.03450	1.8
59.01379	100.0
61.98839	3.1
69.54596	4.3
71.01380	17.1
71.30540	0.7
73.02956	4.6
83.01403	2.4
85.02956	5.6
87.00889	0.9
89.02436	8.0
99.00885	2.1
101.02438	15.6
113.02442	8.4
113.09735	3.0
119.03516	3.3
121.10258	3.4
143.03484	1.4
159.02962	1.1
161.04538	10.5
171.10251	10.3
174.80107	0.7
179.05612	1.7
183.13890	0.8
185.11899	1.0
195.13908	1.1
231.21159	0.9
235.08125	0.8
235.17047	6.0
253.09282	27.4
259.05389	0.7
275.20129	21.5
276.20370	1.1
285.80383	0.7
293.21222	97.2
294.21518	4.7
316.77896	0.7
335.94540	0.7
469.31677	33.4
470.32068	2.2
557.22888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23475	1.1
58.02972	2.6
59.01385	8.6
61.98829	18.4
69.18424	11.7
69.29346	1.0
71.01377	26.7
72.00879	1.7
72.99301	2.5
73.02954	3.3
74.02456	1.5
85.02953	4.2
88.98776	1.8
89.02445	6.7
98.20682	2.4
101.02452	6.1
102.05656	1.4
103.03985	1.5
113.02413	2.9
115.00372	28.8
119.05029	51.2
120.46758	1.5
125.02471	1.7
128.03592	6.3
130.01663	1.1
133.01434	100.0
146.04556	1.4
147.04535	4.8
149.06049	14.5
153.09157	1.6
161.04578	2.7
163.04015	89.8
164.04379	2.2
164.07141	13.9
165.01913	3.9
169.09856	1.3
178.58565	1.2
186.12474	1.5
205.12314	2.7
206.08240	20.5
233.39532	1.3
239.09227	1.9
255.03099	1.5
261.83139	1.1
279.04984	7.1
284.03000	1.2
299.07852	1.6
316.76172	1.1
344.07739	4.9
369.15497	5.4
410.17389	1.7
530.28668	11.2
531.16394	2.5
531.27875	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	530.302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92756	0.4
53.38245	0.4
61.98815	1.5
67.18069	0.4
78.95905	19.1
98.19881	1.5
122.98531	0.5
125.84225	0.4
152.99557	2.6
168.04306	2.1
187.88039	0.5
209.06178	0.5
224.06920	8.9
229.75600	0.5
231.45860	0.5
242.08002	1.6
255.23283	100.0
256.23621	5.2
356.04391	0.5
468.33099	0.5
480.30948	70.8
481.31360	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	531.1142
Annotation	Kaempferol 3-(3'',4''-diacetylglucoside)
Peak:m/z	Relative Intensity
57.03444	0.3
61.98822	0.6
63.02392	0.3
65.00317	0.7
69.40698	0.2
69.41117	0.6
70.82825	0.1
73.02940	1.2
74.47058	0.1
75.00877	0.1
75.79942	0.1
83.01392	0.4
85.02938	0.3
88.28469	0.1
89.02451	0.3
91.01891	0.1
93.03465	0.5
95.01398	0.1
98.20665	0.2
99.04509	0.3
101.02451	0.5
105.58443	0.1
107.01395	1.6
108.02214	0.2
109.02943	0.3
113.02458	0.3
117.03484	0.2
125.02412	0.3
132.02153	1.4
135.00879	1.8
141.07188	0.1
143.05031	0.5
145.03001	0.2
151.00366	1.9
151.01546	0.2
153.01933	0.1
155.04999	0.2
156.05777	0.1
157.06566	0.3
158.03741	0.1
159.04459	0.6
163.00375	1.3
164.01199	0.7
165.01978	0.2
167.05031	0.4
169.01448	0.2
169.06557	0.3
171.04486	0.4
173.06151	0.2
182.03656	0.2
183.04520	0.9
184.05214	0.1
185.02463	0.6
185.06033	0.9
187.03989	1.2
189.05550	0.4
190.99806	0.3
195.04575	0.3
197.06071	0.3
199.03943	0.8
200.04756	0.5
201.05556	0.3
211.02176	0.2
211.03999	2.4
212.04669	0.3
213.01846	0.2
213.05453	0.7
227.03481	30.9
228.03981	1.5
229.05017	4.0
230.05280	0.1
231.96455	0.1
239.03448	1.3
240.04231	0.5
241.05019	0.8
243.03078	0.2
255.02971	69.9
256.03552	5.5
257.04572	2.4
258.04846	0.2
267.03000	0.3
283.02530	1.2
283.05737	0.2
284.03241	100.0
285.03979	44.2
286.04367	1.8
327.05008	0.5
346.17026	0.1
373.08286	0.1
467.27628	0.1
471.09317	3.4
472.09409	0.2
489.10416	1.2
498.48108	0.1
531.11389	52.0
532.11731	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	531.1141
Annotation	6,7,3',4'-Tetrahydroxyaurone 6-(4'',6''-diacetylglucoside)
Peak:m/z	Relative Intensity
57.03461	0.4
59.01361	6.1
60.34027	0.1
61.98826	1.1
63.02412	0.4
65.00314	0.8
65.00624	0.1
68.99557	0.3
69.38219	0.1
72.99322	0.2
73.02945	1.0
75.00880	0.6
81.22394	0.1
83.01369	0.7
83.04581	0.1
83.48730	0.1
85.02946	0.7
87.00884	0.3
89.02446	1.0
91.01915	0.4
93.03464	0.8
95.01441	0.3
98.20687	0.3
99.00886	0.3
99.04538	0.4
99.92590	0.8
101.02426	1.3
103.00376	0.8
107.01405	1.9
108.02185	0.3
109.02950	0.4
112.98565	0.5
113.02463	0.6
115.92080	0.7
116.92844	2.0
117.03493	0.4
119.03518	0.2
120.02189	0.2
123.00893	0.1
125.02438	0.4
129.01932	0.3
131.03535	0.3
132.02162	1.7
135.00885	1.6
137.02449	0.1
141.93538	0.1
142.61621	0.1
143.05016	0.7
149.04568	0.2
151.00372	2.5
154.04286	0.3
155.05074	0.2
156.05788	0.2
157.06577	0.4
158.03694	0.2
159.03046	0.2
159.04543	0.6
161.04561	0.3
163.00383	1.6
164.01128	0.5
165.01952	0.2
167.05017	0.5
168.05797	0.1
169.01404	0.2
169.06586	0.5
171.04456	0.6
173.02347	0.2
173.06168	0.3
177.01736	0.2
177.04037	0.1
182.03740	0.4
183.04495	1.6
184.05154	0.2
185.02458	0.5
185.06097	1.3
187.03984	1.8
189.05597	0.5
190.99875	0.4
191.05426	0.1
195.04489	0.7
197.06085	0.7
198.03290	0.1
199.03986	0.9
200.04803	0.3
201.05589	0.3
207.13882	0.2
209.01036	0.2
211.03984	2.3
212.04672	0.4
213.02000	0.4
213.05511	1.1
214.02591	0.1
215.03517	0.2
223.03949	0.1
226.02602	0.2
227.03484	29.6
228.03894	1.5
229.05032	5.6
230.05331	0.3
239.03517	1.4
240.04240	0.4
241.05026	0.7
243.03012	0.3
255.02971	67.2
256.03537	5.3
257.04556	3.8
267.02954	0.5
269.04572	0.2
283.02460	5.8
284.03241	100.0
285.03992	65.9
286.04388	2.5
309.20557	0.2
353.23346	0.2
354.23550	0.1
399.23761	0.2
469.14890	0.1
471.09308	4.3
471.25867	0.2
472.09799	0.3
489.10480	0.8
489.26810	0.3
495.13345	0.6
513.14221	0.1
530.26605	0.2
531.11298	27.1
531.28015	9.1
532.11768	2.1
532.28448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39132	0.4
59.01378	13.2
66.03638	0.5
69.54048	2.7
71.01389	3.8
72.99311	0.7
73.02935	0.7
75.00836	0.5
75.76549	0.4
77.10647	0.4
80.18097	0.4
83.01393	0.6
85.02949	1.4
87.00889	3.6
89.57701	0.5
97.53730	0.4
103.00372	100.0
104.00722	0.5
108.02160	1.5
111.00868	1.5
113.02455	1.2
115.00375	6.8
123.04523	2.4
127.00362	0.7
131.03474	0.5
133.03033	0.9
134.03735	22.0
137.02414	1.4
147.04541	0.8
148.05237	0.6
149.06078	8.9
160.01682	2.5
163.04091	0.5
164.04785	0.5
175.02477	12.3
175.03995	3.6
176.04773	2.3
178.02718	7.5
191.07126	3.4
192.04269	0.4
193.05052	26.1
194.05341	0.5
196.14476	0.4
203.03709	0.4
207.06641	0.4
211.74440	0.4
217.05080	1.4
218.57541	0.4
220.03749	0.4
221.08301	0.4
235.06099	7.0
258.65744	0.4
263.09729	0.4
265.07211	3.2
283.02606	0.6
297.09866	0.4
327.05615	0.5
355.10263	0.9
397.11499	0.9
441.10556	1.0
531.13562	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	531.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71614	0.6
54.88690	0.6
59.01370	9.2
61.98822	1.7
70.12753	1.5
70.13149	1.0
71.01006	1.2
71.01383	14.0
71.71613	0.6
74.78880	0.6
75.00872	0.8
83.01405	0.9
85.02950	2.4
87.00876	8.4
93.03432	0.7
96.58733	0.5
96.95975	0.9
101.02390	1.2
103.00373	36.9
108.02151	0.9
111.00887	1.4
113.02414	2.3
115.00375	18.1
121.02977	1.4
123.04522	1.9
129.01942	0.9
131.03520	0.9
132.02194	0.6
133.02963	4.1
134.03741	52.3
135.04118	1.0
136.01640	0.7
137.02464	7.8
137.80313	0.6
139.04027	1.9
147.04504	2.3
148.05276	1.0
149.06073	23.9
150.03221	1.2
150.06328	0.7
160.01646	6.3
163.03937	0.7
175.02498	53.6
175.03976	8.5
176.02850	1.2
176.04765	7.2
177.01907	1.2
178.02705	36.4
179.03075	1.1
191.07114	7.6
192.04240	0.7
193.05049	100.0
194.05350	3.1
202.02675	0.7
207.06670	0.8
217.05086	2.7
220.03743	1.5
223.73793	0.8
235.06104	18.9
236.06375	0.8
247.06107	1.3
265.07166	4.1
297.09787	0.9
325.09183	1.5
327.05048	0.9
355.10257	9.5
397.11249	1.2
441.10294	6.8
442.11041	0.9
500.52496	0.7
531.13525	32.9
532.13818	2.7
553.97827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.4
58.58810	0.4
59.01381	10.9
69.87463	0.7
69.87879	1.2
71.01384	1.6
71.91333	0.3
72.99306	0.4
73.02950	0.5
75.00871	1.1
87.00868	1.5
93.03432	0.3
98.19968	0.6
103.00372	100.0
104.00699	0.8
108.02171	0.6
111.00903	0.4
111.36885	0.4
113.90530	0.3
115.00373	3.0
121.02966	0.5
123.04542	0.8
133.02948	0.7
134.03743	10.7
134.04745	0.7
137.02470	1.7
139.03993	0.4
147.04549	1.2
149.06081	4.3
160.01665	3.0
175.02472	4.1
175.04010	6.0
176.04785	1.9
178.02710	6.0
191.07092	3.2
193.05048	16.5
207.06606	0.4
217.05061	1.3
220.52513	0.4
221.08194	0.9
235.06044	4.1
247.06183	0.8
265.07147	3.0
327.04813	0.4
355.10495	1.0
441.10364	0.6
531.13550	10.0
532.13556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1507
Annotation	Luteolin 7-[6''-(2-methylbutyryl)glucoside]
Peak:m/z	Relative Intensity
59.03412	0.4
59.92548	0.3
61.98831	6.1
63.02399	10.4
65.00322	6.1
69.38420	0.7
69.38831	2.0
71.01389	2.0
72.99292	0.4
73.02942	0.6
76.09235	0.4
83.01389	9.9
85.02959	0.6
89.02470	1.3
93.03477	0.7
95.01390	1.6
97.02977	0.5
99.00867	0.5
101.02454	0.8
101.81363	0.4
103.00381	1.5
107.01392	20.3
111.00935	0.3
113.02426	0.6
120.02151	0.4
123.00873	1.2
123.04518	1.3
125.02399	0.7
132.02153	2.0
133.02977	0.5
135.00879	0.6
136.01692	0.4
137.02422	0.8
143.05031	0.7
145.02959	0.7
147.04498	0.5
149.04567	0.6
149.99567	1.1
151.00368	46.8
152.00694	0.8
161.05905	0.6
163.00430	2.6
164.01190	3.1
165.01878	0.8
169.01424	5.9
169.06572	0.6
171.04572	0.6
171.10283	0.4
179.03494	0.4
185.06053	1.8
189.05592	0.6
193.01375	0.6
193.86028	0.4
197.06169	0.5
199.04008	0.8
205.01442	1.3
211.04022	0.5
212.04617	0.6
213.05612	2.3
227.03529	1.5
229.05060	3.0
240.04321	1.1
241.05020	2.8
255.02959	2.0
256.03732	0.5
257.04556	13.0
269.04544	0.7
283.02420	0.5
283.06067	0.4
284.03259	35.4
285.04034	54.2
286.04297	1.7
297.04114	0.8
327.05136	0.7
391.42438	0.4
399.23584	0.4
531.15082	100.0
532.15417	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	531.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
57.03449	83.4
58.03779	0.9
59.01380	100.0
60.01716	0.7
61.98832	15.6
68.99574	0.8
69.61228	0.7
70.99404	1.3
70.99733	0.8
71.01385	23.2
72.99282	1.0
73.02948	11.8
75.00865	1.7
78.48717	0.7
81.03451	2.4
83.01404	4.0
85.02947	8.5
87.00859	1.7
89.02451	14.0
95.01395	2.3
97.02959	0.9
97.06620	1.2
98.95502	0.7
99.00885	3.1
99.04522	91.8
100.04841	1.2
101.02442	36.0
103.00359	1.0
104.41812	0.7
107.01421	0.8
109.06555	0.7
112.98559	0.8
113.02452	9.9
113.06078	1.1
115.92075	1.0
119.03476	6.8
125.02450	37.9
129.01921	0.7
129.67732	0.7
131.03487	1.4
137.09744	1.1
139.11227	1.6
143.03482	6.1
149.04501	1.0
159.03032	1.0
161.04576	5.1
163.00345	0.7
163.11575	0.7
177.04089	0.8
179.05553	2.1
181.12247	1.0
183.04590	0.7
183.10228	2.4
184.59645	0.7
189.12900	0.8
199.04042	0.7
207.13774	1.0
211.04080	0.9
225.11475	1.6
225.14952	23.6
226.15247	1.0
227.03487	14.7
228.03836	0.8
229.05112	1.7
239.03398	1.0
243.12376	6.4
255.02995	30.6
256.03397	2.5
265.18307	1.0
281.18604	0.8
284.03268	41.0
285.04031	17.9
285.13345	2.5
345.15326	2.1
353.23364	1.2
369.19049	3.8
387.20209	16.5
388.20453	1.7
405.17551	1.6
429.21246	10.3
430.21729	1.3
469.24179	1.7
471.08896	1.6
471.25839	3.2
487.25034	1.7
489.26794	2.0
531.11658	21.4
531.27350	26.2
532.11292	2.2
532.24823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.8
57.03452	3.1
57.34988	0.3
58.00595	3.7
59.01381	78.8
60.01721	0.4
61.98833	0.6
64.07387	0.3
67.01894	0.4
69.03452	3.1
70.89792	0.5
70.90121	0.5
71.01383	100.0
71.05034	0.5
72.01733	0.5
72.99314	3.8
73.02949	29.9
75.00872	2.5
79.01865	0.3
81.03455	1.5
83.01389	9.4
85.02954	28.9
85.32732	0.3
86.00105	2.4
87.00877	6.4
87.04518	2.0
89.02447	94.2
90.02786	0.5
95.01398	5.2
97.02956	6.3
99.00883	29.7
99.04504	1.8
101.02445	61.7
101.06081	1.5
102.02773	0.8
103.00381	0.6
105.55482	0.3
109.02962	0.7
111.00885	1.3
112.01651	0.8
113.02452	28.2
115.04018	4.9
119.03500	13.0
123.00961	0.3
125.02445	13.0
127.04040	0.9
129.01939	0.8
131.03503	18.9
141.01962	0.3
143.03503	7.0
149.04561	55.0
149.13354	3.2
150.04892	0.6
159.03024	3.3
159.06633	10.5
161.04558	25.6
175.06183	0.4
179.05611	6.7
191.05621	13.6
205.03584	0.4
215.05568	0.5
221.06668	2.7
233.06659	10.2
249.09808	7.8
251.07758	5.5
263.46567	0.3
275.07700	1.2
293.08810	6.1
311.09848	1.0
323.63022	0.3
345.68076	0.3
381.13998	16.2
382.14432	0.4
399.23874	23.8
400.24200	1.2
428.61990	0.3
531.28076	85.8
532.28479	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	532.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21929	0.2
57.03448	21.4
59.01379	3.6
61.98829	100.0
71.01382	2.2
73.02942	0.7
83.01389	0.4
84.23135	0.2
85.02943	0.6
94.94298	0.2
99.00906	0.3
99.04517	18.6
100.04867	0.3
101.02438	6.4
113.02445	0.6
121.35217	0.3
125.02446	9.2
143.03445	1.1
147.04549	0.3
148.05299	26.2
149.05637	0.8
161.04559	1.7
163.07643	36.2
164.08028	1.3
203.05637	0.7
243.08650	0.6
254.89688	0.2
255.02914	0.6
284.03293	0.9
285.03897	0.9
325.12793	0.4
367.13977	1.4
407.16925	0.3
469.17105	6.1
470.17255	0.4
532.28461	0.9
533.29572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24803	1.0
57.03163	1.2
57.03447	23.2
58.89871	1.0
59.01385	8.8
61.98831	100.0
69.24005	8.5
71.01384	2.3
98.19894	2.1
99.04522	21.2
101.02438	8.0
125.02454	9.6
143.03505	1.0
148.05290	26.5
161.04509	1.9
163.07645	42.5
164.08038	1.4
203.05519	1.2
220.91743	0.9
243.08696	1.7
255.02979	1.8
284.03253	2.6
285.04065	2.4
291.45905	0.9
343.05826	1.1
367.13968	1.7
465.13858	1.0
469.16956	7.5
532.28186	1.9
533.29395	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	532.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36706	0.5
59.01381	2.1
60.82269	0.5
61.98831	100.0
71.01363	0.5
71.52145	0.8
74.50011	0.5
91.08739	0.5
167.35744	0.5
180.82794	0.5
227.03519	1.3
239.53442	0.5
245.03084	0.6
253.09198	0.9
254.09645	0.6
255.03064	2.1
257.37335	0.4
284.03305	2.6
285.04025	3.4
289.99216	0.6
295.22836	1.6
296.23230	2.9
373.54156	0.5
489.10471	2.2
520.52631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
70.16936	2.7
70.17336	2.2
80.55457	1.3
82.56693	1.3
98.19990	2.3
109.50667	1.5
125.12534	1.3
132.17293	1.5
189.17183	1.7
310.14334	1.6
323.29639	1.5
341.30530	12.0
367.17468	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17795	0.7
66.00707	0.8
70.07049	2.5
70.07422	1.7
72.14711	0.7
73.05901	0.7
89.66537	0.7
98.20629	0.9
151.00342	0.9
169.14723	0.7
187.03972	1.6
199.03920	0.8
213.05626	0.8
227.03503	9.9
229.05064	5.4
239.03387	1.2
241.04970	1.3
255.02956	24.3
256.03558	2.6
257.04465	4.2
284.00003	2.0
284.03238	78.0
285.04010	100.0
286.04361	4.8
304.62402	0.8
364.26981	0.8
457.40396	0.9
489.10364	56.8
490.10675	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	533.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.1
61.98809	2.0
63.38092	0.7
73.02929	0.8
73.48409	0.7
75.00874	6.9
83.01405	1.0
85.02943	1.2
89.02452	0.8
92.00751	0.6
93.03461	1.3
98.19904	1.2
101.02422	3.0
107.01380	3.1
132.02171	1.3
133.38599	0.6
135.00813	1.2
135.80678	0.7
151.00351	1.8
157.06450	0.8
159.04488	1.0
161.02415	1.4
163.00378	2.4
169.06674	0.8
171.04507	0.7
173.02431	0.7
183.04478	0.8
184.62535	0.7
185.06059	1.8
187.04016	2.6
197.06091	0.8
199.04034	1.3
199.09833	1.1
199.74225	0.7
200.04793	0.7
201.05406	1.3
211.03970	2.8
213.05550	2.0
227.03487	22.8
228.03925	1.1
229.05013	10.6
239.03510	1.8
241.04767	0.9
255.02972	55.3
256.03400	3.1
257.04517	6.1
283.02368	1.1
284.03253	73.0
285.04016	100.0
286.04413	4.6
382.57266	0.7
429.08344	2.1
447.09109	1.1
473.18527	1.3
486.34961	0.7
489.10367	46.1
490.10696	4.9
533.20569	0.7
533.29645	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35880	0.7
55.01898	0.9
57.03435	3.3
59.01375	8.2
61.98824	2.7
64.95536	0.7
68.99807	0.9
70.61508	0.9
70.61844	2.0
71.01382	28.0
72.99309	5.6
75.00874	33.9
83.01373	1.6
84.02178	1.1
85.02950	10.4
87.00871	5.2
89.02435	4.3
96.96008	3.1
97.02959	1.9
98.80035	0.8
99.00884	13.5
101.02451	1.9
103.00361	3.7
105.00830	0.9
111.00859	2.8
114.02159	0.7
121.02896	1.6
129.01949	20.7
131.03511	2.2
134.03746	42.3
135.04105	1.0
137.02457	4.4
139.04024	1.3
141.01907	1.5
149.06082	13.8
159.02985	3.3
160.01677	1.6
175.02510	1.8
175.03969	4.3
176.04787	1.1
177.04048	32.4
178.02727	20.7
179.03165	1.6
191.07175	1.3
193.05057	83.8
194.05440	3.9
195.05109	4.4
235.06068	2.5
255.02879	0.9
335.07635	0.9
339.07230	0.9
353.08871	5.8
355.10254	8.5
371.09808	10.5
496.63913	0.9
533.15094	100.0
534.15369	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	533.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
59.01378	7.5
69.03442	1.3
71.01012	2.0
71.01382	26.7
72.99305	2.8
75.00874	33.3
82.02982	2.4
84.02222	0.9
85.02953	4.1
87.00889	4.8
88.98796	4.6
89.02454	1.9
97.02950	2.4
98.20721	1.3
99.00884	12.1
100.04075	1.3
101.02459	1.0
103.00381	1.1
111.00857	2.8
113.02442	1.6
115.03955	1.2
119.05061	1.2
121.02950	1.0
124.92234	1.0
129.01944	19.1
131.03502	3.0
133.02956	1.5
134.02728	2.1
134.03741	36.3
137.02463	5.3
141.01942	2.5
149.06100	11.8
150.06439	1.1
159.02979	3.4
160.01674	4.7
175.02518	1.9
175.03973	12.0
177.04053	24.0
178.02708	19.6
191.07170	2.7
193.05055	68.8
194.05420	2.4
195.05074	12.1
220.09752	2.2
235.06073	2.9
266.10339	7.6
280.78046	0.9
335.07678	2.3
353.08719	16.3
355.10202	3.5
368.33038	1.0
371.09784	17.7
372.10117	1.1
497.13123	4.6
533.15094	100.0
534.15332	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	533.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.9
58.93154	0.6
59.01380	8.3
61.98825	1.0
68.99806	0.7
69.03452	1.0
69.54171	3.2
69.54572	1.3
71.01378	27.2
72.99310	4.9
73.02938	0.9
75.00871	30.7
75.24839	0.7
83.01376	1.5
85.02944	10.1
86.63499	0.6
87.00857	5.3
89.02438	2.9
96.96018	1.1
97.02933	1.6
99.00879	13.5
101.02417	1.6
101.83508	0.8
103.00357	1.4
108.88495	0.7
111.00874	2.5
111.30727	0.6
113.02444	0.7
115.03989	0.8
116.92822	0.8
117.01929	1.0
123.94069	0.7
125.40551	0.6
129.00960	1.1
129.01938	19.8
131.03468	2.1
133.02931	0.9
134.03737	41.3
135.04048	1.0
137.02449	3.6
139.04048	1.6
141.01903	1.5
149.06090	14.9
158.84596	0.6
159.03032	3.7
160.01608	1.0
161.02390	1.2
172.10666	0.7
175.02594	1.5
175.03969	4.0
176.04704	0.9
177.04036	34.5
178.02698	21.0
178.04260	1.0
179.03288	0.7
191.07086	1.5
193.05042	79.2
194.05330	2.9
195.05077	5.5
216.08481	0.8
235.05969	2.2
335.07529	0.9
353.08832	4.5
354.09198	0.8
355.10342	6.2
371.09769	10.4
497.12885	1.2
533.15063	100.0
534.15363	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	533.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38218	1.1
53.87510	0.9
55.01869	1.2
57.03449	84.1
58.03777	1.3
59.01379	94.7
61.98828	12.2
66.63832	0.9
67.94130	0.8
69.21432	4.2
69.21856	3.3
71.01387	25.3
73.02949	10.3
73.03326	1.6
80.11904	0.7
81.03465	1.9
83.01397	5.5
85.02953	11.0
87.00871	1.0
89.02441	6.4
95.01366	1.4
96.00887	1.0
96.96013	3.2
97.02951	0.8
98.19943	2.2
99.00892	4.5
99.04520	100.0
100.04866	1.2
101.02444	40.0
110.18974	0.8
111.00922	1.0
113.02447	9.0
119.03486	1.8
125.02453	30.1
129.01952	1.1
143.03490	3.2
159.02966	2.2
161.04495	5.9
184.65337	0.8
227.16505	4.0
284.03271	2.0
285.04062	3.4
371.20694	4.1
389.21835	28.0
390.22113	1.4
401.18033	1.9
413.21912	1.0
431.22879	7.8
471.26074	2.0
489.10782	2.1
533.26782	18.2
534.26434	2.0
548.61145	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83487	0.3
55.01871	0.8
57.03450	5.3
57.51572	0.3
58.00589	0.9
59.01380	18.7
61.98832	5.2
69.03438	0.8
71.01383	15.8
71.05035	0.5
71.51965	0.4
72.01730	0.4
72.99320	1.1
73.02949	4.1
75.00874	2.0
81.03474	0.3
83.01373	1.6
85.02956	4.7
87.00906	1.0
87.04504	0.5
89.02447	8.1
95.01377	0.6
97.02948	1.1
99.00874	3.2
99.04512	3.4
99.92532	0.4
100.27410	0.3
101.02438	8.9
103.00375	100.0
104.00683	0.5
107.01391	0.4
111.00867	0.5
111.08143	0.5
113.02442	3.4
116.92867	1.1
119.03493	1.5
119.05034	0.6
121.02962	14.2
122.03412	0.3
125.02445	2.6
131.03502	1.1
135.08089	0.3
136.07622	0.6
139.11292	1.0
143.03505	0.8
147.04472	0.6
148.05287	1.6
149.02493	0.4
149.04559	3.3
149.06068	4.5
151.00420	0.4
157.12347	0.5
159.02971	0.4
161.04602	2.3
161.09808	0.4
161.53337	0.3
163.07628	2.7
164.04776	0.7
169.12343	0.4
171.13945	0.5
175.02467	0.4
179.05592	0.8
179.07167	0.6
185.47035	0.3
191.05644	0.8
191.10655	0.4
199.84555	0.3
201.14886	0.4
227.03500	3.0
229.05032	1.1
233.06789	0.5
255.02982	6.3
256.03485	0.6
257.04541	0.5
267.23270	0.5
277.21631	0.6
279.23004	0.4
284.03256	7.2
285.04028	10.8
286.04388	0.7
293.08893	0.5
309.24396	1.0
311.12994	0.8
311.22217	1.8
313.27579	0.4
325.23813	0.5
339.25354	1.8
357.26434	18.7
358.26712	1.0
371.24066	0.7
371.27975	1.4
381.26276	0.8
393.26828	0.4
399.27774	0.6
401.25360	3.5
402.25983	0.4
415.52078	0.4
489.10358	5.9
490.10867	0.6
497.27560	2.1
501.37131	0.4
515.28949	0.4
533.29620	41.4
534.29785	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	534.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
61.98830	100.0
69.37916	1.3
69.67368	0.2
71.01385	0.3
71.33392	0.2
73.02963	0.2
76.32332	0.2
82.76563	0.2
83.01392	0.2
89.02452	0.2
117.36039	0.2
227.03513	0.6
228.03871	0.7
229.04910	0.3
230.05484	0.3
255.02919	0.9
256.03351	1.8
257.03995	0.4
284.03180	1.4
285.03781	5.1
286.04352	3.9
293.78543	0.2
490.10669	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	534.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.6
58.02969	5.0
59.01379	3.3
60.65396	0.4
61.98832	5.0
66.03475	0.5
69.47633	2.8
71.01377	1.2
72.00910	1.3
73.02946	0.5
74.02474	10.8
81.04593	0.7
82.02969	1.8
85.02954	0.5
86.02478	4.1
86.06155	0.6
86.99122	1.0
87.05627	2.5
88.04018	0.6
89.02432	0.6
90.00197	0.8
97.04075	1.2
99.04565	2.3
99.05633	8.2
101.02446	1.4
101.07185	2.2
102.05625	3.0
109.04063	1.2
109.07702	0.4
111.05648	0.9
112.04037	1.2
113.07253	0.4
116.01712	1.0
116.92832	0.7
117.88719	0.4
117.92828	0.5
119.05011	1.1
120.01242	0.9
123.05632	1.2
124.04044	0.7
125.02447	1.0
125.03483	1.0
127.05146	1.7
128.03537	32.4
129.03860	0.5
129.99634	0.4
130.05075	0.5
135.05594	2.2
137.07191	0.6
141.06699	2.1
143.04620	37.7
144.01208	0.4
144.04958	0.5
145.06184	1.8
146.04601	3.8
153.06731	2.9
155.08250	0.8
160.00734	10.1
163.03918	0.5
166.09850	0.7
167.04617	3.7
167.08234	1.6
170.03311	0.6
177.03389	4.1
179.04625	7.9
181.06200	1.2
184.10895	0.5
185.05649	1.2
192.07829	0.8
197.05603	1.3
198.08847	0.6
209.11891	1.4
210.08804	7.9
242.07762	0.8
243.12321	1.0
254.07806	7.3
256.75497	0.5
272.08859	15.8
273.09277	0.5
288.06583	6.6
306.07639	100.0
307.07977	4.4
354.15564	0.6
372.16684	1.4
379.89453	0.4
446.97018	0.5
471.14883	0.6
534.13379	1.0
534.21021	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	534.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31839	0.6
57.03434	0.7
58.02973	5.1
59.01383	3.7
61.98836	4.1
66.03480	0.7
69.77619	3.2
70.02955	0.9
70.77631	0.6
71.01383	1.5
72.00867	0.8
73.02963	0.7
74.02474	12.0
80.39488	0.7
81.04576	0.7
82.03006	0.7
84.04536	1.0
84.74139	0.7
85.02917	0.7
86.02481	4.7
86.99099	1.0
87.05637	2.9
89.02471	1.5
97.04041	1.0
98.20594	1.2
99.04610	1.2
99.05646	9.8
101.02446	1.6
101.07196	1.6
102.05608	1.3
103.00374	0.9
109.04077	1.2
109.07704	0.6
110.02417	0.6
111.05687	0.6
112.04039	1.4
113.02364	0.9
113.07215	1.1
113.16540	0.6
116.75178	0.6
123.05636	1.2
125.03553	1.0
127.05147	2.6
128.03543	28.7
130.08766	0.7
135.05655	2.0
135.64690	0.7
137.07204	1.0
139.05322	0.8
139.72528	0.7
141.06705	2.3
143.04623	39.2
145.06186	1.2
146.04578	3.5
153.06696	3.3
154.89278	0.7
160.00757	9.7
160.87271	0.7
166.09859	1.4
167.04613	2.6
167.08305	0.7
168.01840	0.6
171.07709	1.0
177.03424	3.4
179.04605	8.2
181.06178	1.1
185.05725	1.2
192.07732	0.8
197.05588	1.1
209.11806	0.7
210.08850	7.8
254.07838	8.3
272.08893	19.0
287.94754	0.7
288.06604	7.0
294.88055	0.7
306.07648	100.0
307.07932	2.4
490.26193	0.8
534.13257	1.6
534.22046	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	535.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
55.90975	1.0
57.03441	3.0
59.01381	35.1
61.98829	100.0
62.60526	1.0
69.17276	1.0
69.18699	6.3
69.19118	4.0
71.01380	13.6
72.99317	1.2
73.02943	10.3
83.01398	1.7
85.02962	4.8
87.00890	3.0
87.04514	3.4
89.02464	5.4
97.02987	1.1
98.20696	1.8
99.00895	2.0
99.04517	2.0
101.02443	36.7
103.00372	1.3
113.02451	5.0
116.92892	1.7
119.03461	2.2
125.02420	1.3
126.02742	1.0
132.04568	2.2
137.09706	7.4
139.04060	1.6
139.11250	2.7
143.03566	1.1
144.84480	1.0
147.06662	1.3
149.75345	1.0
155.10783	31.7
157.16544	1.1
161.04529	1.7
169.12415	3.5
175.02599	1.5
176.03580	5.9
181.08690	3.2
183.10298	2.5
199.09740	24.5
207.05420	1.2
208.06194	1.9
213.11266	2.4
215.12947	1.1
225.11409	1.1
229.14235	1.6
241.10728	7.6
242.25427	1.0
243.12386	3.2
255.02953	2.5
255.12393	4.3
257.03583	2.1
268.83441	1.2
271.11862	2.2
283.11859	25.9
284.03223	1.8
285.03864	3.3
286.03912	4.0
287.04263	3.5
288.04498	1.6
301.12894	5.7
325.13098	2.2
341.11548	3.0
343.14157	1.4
355.13782	1.4
361.15204	5.4
373.14276	2.1
373.26083	3.3
385.15027	10.5
445.17270	9.1
446.17264	1.6
472.18137	8.4
477.27280	1.7
503.16483	4.9
517.30341	2.4
534.29913	1.2
535.12860	3.5
535.24310	5.4
535.31299	50.5
536.31531	1.9
547.57739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48602	0.4
50.52889	0.4
55.01871	1.0
57.03452	0.7
58.00584	1.0
59.01377	27.8
61.98830	5.4
62.62077	0.5
69.67789	1.6
69.68195	1.1
71.01376	13.1
72.99302	1.6
73.02943	1.6
74.94255	0.4
80.05065	0.6
83.01370	1.6
85.02943	3.6
89.02440	15.0
95.01371	1.0
98.20679	0.5
99.00894	0.8
101.02444	9.3
102.05570	0.5
103.00365	7.6
104.05056	2.9
106.06614	2.9
108.04571	3.2
113.02454	5.6
115.00366	0.5
119.03513	4.8
119.05021	0.8
122.06125	1.1
127.05173	0.8
128.03531	4.2
130.08727	1.6
131.03581	0.7
132.04550	33.1
133.04927	0.7
134.06114	23.0
143.03574	0.5
143.04582	1.1
144.04575	1.0
145.06213	0.6
146.04553	0.7
148.04044	1.9
149.04552	1.1
150.05640	1.1
152.07141	2.7
153.09201	0.6
158.02473	1.4
158.06108	3.3
160.04050	1.3
161.04558	0.9
163.04022	0.9
163.06198	0.5
174.05565	0.5
176.03497	8.0
188.03485	2.5
189.68510	0.4
190.05070	6.5
202.05170	0.9
220.62148	0.4
227.11923	0.6
247.19160	0.5
251.07950	0.6
251.11934	5.2
255.11339	2.0
279.11365	16.5
280.11633	0.7
295.10904	3.6
306.07526	1.2
314.12503	2.8
323.10385	8.6
337.11810	1.5
428.24997	0.7
431.18103	0.8
435.17688	5.7
459.17688	14.4
460.17923	0.8
472.27847	1.4
475.17148	3.8
503.16666	100.0
504.17035	7.1
517.18164	9.1
517.25116	0.7
535.18628	13.2
535.25531	2.4
536.19379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03444	4.6
58.00580	1.3
59.01381	30.4
61.98818	2.6
69.15031	2.0
69.15454	3.8
69.32089	0.6
71.01010	1.0
71.01384	13.6
72.99315	1.4
73.99280	0.6
80.05081	0.6
83.01386	1.1
83.76270	0.5
85.02936	2.5
89.01939	1.0
89.02443	14.0
95.01444	0.9
99.00840	0.6
99.04510	3.6
101.02444	10.5
104.05063	2.5
106.06592	3.1
108.04546	3.3
112.04038	3.5
113.02441	5.8
118.77993	0.6
119.03494	5.6
125.02460	1.7
127.83461	0.6
128.03520	1.2
131.03510	0.6
132.04556	36.2
133.04861	0.8
134.06122	22.8
135.06963	2.9
136.31747	0.5
143.03508	0.9
143.04628	1.7
144.04646	1.4
146.55107	0.5
148.04037	1.8
149.04514	0.6
150.05605	0.9
152.07181	2.5
158.02437	1.3
158.06067	3.7
160.00760	0.7
160.04073	1.2
164.10808	19.9
165.11108	0.6
176.03548	6.8
182.11734	0.6
188.03487	2.4
190.05115	4.0
226.10860	4.7
227.11743	0.7
233.63135	0.6
251.11879	4.7
252.11897	0.8
253.09798	0.9
255.11340	2.3
272.08707	0.6
279.11362	16.5
291.65634	0.6
295.10889	2.2
297.12189	0.6
297.59375	0.6
306.07642	1.0
307.07919	1.6
314.12457	2.6
323.10333	9.3
324.10461	0.6
337.11920	1.2
355.13046	0.7
391.23154	0.8
431.18073	0.9
435.17755	5.5
459.17737	16.3
460.18298	0.7
463.52438	0.6
475.17169	2.6
503.16696	100.0
504.17001	8.0
517.18250	7.5
518.18427	0.8
535.19287	13.6
535.27502	1.4
536.19470	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.4
57.03450	14.9
58.00599	1.5
59.01380	94.7
61.98814	2.3
69.03448	1.6
70.38386	4.1
71.01384	14.2
73.02938	11.4
82.95410	7.2
83.01391	1.7
85.02950	74.7
87.00859	6.6
87.04511	2.2
89.02420	1.6
97.02954	4.6
99.00866	5.1
101.02450	8.3
103.04000	1.1
104.49852	1.1
109.06577	1.4
113.02422	2.2
115.04017	2.1
125.02415	1.5
127.04039	1.3
127.07752	1.0
128.03531	2.6
129.01936	28.7
137.09639	1.2
139.11285	46.0
143.03539	1.1
143.04626	1.6
147.02997	27.6
163.11250	2.2
165.09169	2.8
169.12254	2.4
179.10785	1.7
181.12332	20.9
183.10252	64.8
184.10547	2.5
197.11832	2.3
199.13339	4.9
225.11333	23.1
226.11821	1.2
243.12354	100.0
244.12669	3.2
257.13858	3.0
260.69403	1.3
267.12363	1.6
285.13422	32.9
289.89801	1.2
297.13361	1.5
306.07684	2.5
307.07816	3.3
315.14435	6.5
327.14572	1.4
329.15915	1.5
345.15530	35.4
345.19370	1.3
405.17572	20.2
410.05933	1.2
455.19229	4.4
461.20212	14.2
473.20251	71.4
474.20523	4.9
491.21405	20.3
498.91647	1.2
503.00714	1.1
517.19000	2.0
535.12018	2.1
535.20209	34.3
536.20386	1.9
549.66113	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67027	1.1
55.01873	1.7
57.03449	83.9
58.00576	1.4
59.01380	100.0
61.98825	8.0
69.19972	11.2
71.01379	23.2
71.01780	1.6
72.99301	1.6
73.02940	5.6
74.02453	3.3
81.03483	1.8
83.01385	4.4
84.87779	1.5
85.02959	10.9
86.02494	3.1
87.00869	5.4
89.02457	13.5
95.01388	2.2
98.19924	2.6
99.00862	1.9
99.04518	89.6
101.01797	2.7
101.02441	40.9
103.00372	3.3
103.96738	1.2
104.05053	2.0
106.06635	1.9
108.04546	2.1
110.68524	1.1
112.04054	3.6
113.02448	10.6
115.75676	1.2
116.92867	1.9
118.92661	1.2
119.03490	5.4
124.93029	1.1
125.02448	26.2
128.03548	8.3
132.04536	24.0
134.06120	16.2
135.06888	3.1
136.20670	1.5
143.03438	3.9
143.04597	7.5
144.04980	1.8
148.04024	2.2
149.04529	1.5
152.07149	2.4
158.06104	2.1
160.00775	2.6
161.04529	5.2
164.10805	24.0
176.03502	3.7
177.03487	1.7
179.04504	1.3
182.11763	1.1
188.03523	2.5
190.05107	4.0
197.88118	1.2
226.10826	5.6
246.35455	1.3
251.11905	4.1
255.11417	1.6
272.08868	1.9
273.09052	1.9
279.11398	9.6
295.10684	2.1
306.07635	14.5
307.07947	13.6
308.07526	1.6
314.12372	2.5
323.10498	6.0
391.23325	20.2
392.23724	1.4
433.24423	5.5
435.17783	3.2
459.17889	10.1
468.10358	1.4
475.16846	1.6
503.16656	72.6
504.17065	4.8
517.18372	6.1
535.12646	1.9
535.19629	10.2
535.27570	21.3
536.28015	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	535.3122
Annotation	glas#24
Peak:m/z	Relative Intensity
55.01868	0.3
57.03451	1.2
58.00586	0.6
59.01379	15.5
61.98829	2.1
67.67581	0.2
70.05726	0.4
70.06117	0.6
71.01381	8.1
72.99302	0.9
73.02940	1.7
75.00885	0.3
78.95894	0.7
83.01391	1.0
85.02949	3.1
87.00869	0.8
87.04486	0.2
88.98787	0.3
89.02447	6.2
95.01400	0.8
95.45061	0.2
96.96020	2.9
96.96962	0.8
97.02976	0.2
99.00835	0.4
101.02443	6.1
106.06606	0.4
108.08169	1.2
110.98502	0.5
111.00889	0.3
113.02448	3.2
116.92816	0.3
119.03498	1.8
119.05006	0.4
121.68060	0.2
123.08166	0.5
125.02409	0.4
125.09694	0.9
127.11266	0.3
132.04515	0.7
134.03712	0.2
137.09720	0.3
140.45557	0.2
143.10826	0.2
151.00319	0.2
152.07184	1.0
153.09184	0.3
155.10732	0.3
160.04008	0.2
163.03973	0.3
167.03522	0.2
171.10280	4.0
199.13399	0.3
200.10443	0.2
229.14334	0.2
234.07875	0.2
253.13478	0.6
271.18369	0.2
273.12418	0.3
277.21823	0.2
279.11456	0.5
295.10925	0.3
297.12396	1.0
323.10333	0.5
325.23834	0.8
327.21899	0.4
337.23767	0.3
341.11520	0.6
353.23187	0.3
355.24854	14.2
356.25122	0.8
373.14014	0.6
373.25894	9.1
374.26315	0.4
459.18027	0.3
503.16684	2.6
517.18054	0.4
517.29956	1.0
535.31213	100.0
536.31567	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	535.3123
Annotation	glas#24
Peak:m/z	Relative Intensity
53.96655	0.3
55.01880	0.4
57.03434	1.4
58.00586	0.7
59.01377	33.5
60.01722	0.4
60.90351	0.4
61.98828	4.4
63.42617	0.3
68.99554	1.4
71.01382	13.1
71.52897	0.5
72.99308	1.0
73.02948	4.1
80.05050	0.4
83.01374	1.5
85.02942	4.4
87.00860	0.6
87.04526	0.6
89.02442	8.9
95.01381	1.2
97.02971	0.4
99.00867	1.3
99.92544	0.5
101.02441	8.5
112.98540	1.4
113.02446	4.9
116.92861	3.4
117.01933	0.4
119.03510	2.6
122.06105	0.8
123.08191	0.7
125.02438	0.3
125.09668	0.9
139.11311	2.0
152.07182	1.6
152.08307	0.3
155.10791	0.5
161.04539	0.8
163.11313	0.4
167.07063	0.3
171.10271	3.1
181.12331	0.7
183.10315	2.2
185.11803	0.5
216.13914	0.4
225.11270	0.4
227.11629	0.4
239.13016	0.5
243.12097	0.4
253.09923	0.4
255.03026	0.5
256.03491	0.4
257.13919	0.4
277.21707	0.5
284.03308	0.6
285.03763	0.6
286.04364	0.7
295.10825	1.1
295.22595	0.4
325.23795	1.0
337.23822	0.5
355.24905	13.0
355.29337	0.8
356.25269	0.6
373.25928	12.4
374.25955	0.4
388.72827	0.4
457.28207	0.8
460.18893	2.6
475.28946	0.9
504.17712	2.8
517.30109	0.5
535.24072	8.3
535.31201	100.0
536.23956	0.8
536.31525	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	536.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46893	0.4
57.03390	0.6
57.92039	0.4
59.01307	3.7
61.98755	1.5
68.91368	0.4
68.99507	0.6
69.24039	3.7
80.05053	8.3
89.02368	0.6
94.06532	2.1
96.95911	0.4
103.59638	0.5
104.05058	3.6
106.06618	3.7
107.03775	4.1
108.04554	3.6
108.08101	0.9
112.98488	1.2
114.93367	0.6
116.92867	3.4
117.92757	2.1
118.06535	0.5
120.04485	0.8
122.06120	23.1
124.07639	0.6
130.06522	1.4
131.04889	1.0
132.04437	1.8
134.06131	13.1
136.07706	4.3
139.02664	1.4
146.06100	3.2
147.03181	1.3
148.04047	3.2
148.07626	0.8
149.05968	0.5
150.05539	1.2
152.07166	56.3
153.07423	0.9
160.04001	3.0
160.07591	0.6
161.04355	0.9
162.05478	0.7
173.04762	1.2
174.05571	3.9
178.58585	0.5
180.06648	8.3
186.05490	1.5
188.07173	21.2
189.07446	1.0
190.05035	0.7
197.06877	0.6
210.07866	1.8
211.08725	4.3
211.12001	0.4
214.05043	0.5
223.08716	1.0
223.12334	1.1
224.09399	1.4
225.10242	5.1
226.10950	1.9
227.11899	6.6
234.07846	0.6
235.08604	1.1
237.10175	1.8
238.07388	3.2
239.08089	1.3
239.11739	1.7
245.12933	6.5
248.09450	0.8
249.06516	1.5
249.10258	1.3
250.07428	0.9
251.08183	2.9
251.11836	3.2
252.09015	3.8
253.09824	12.8
263.11786	0.7
264.08945	1.4
265.09811	3.6
266.10425	1.2
267.11398	5.9
277.09741	4.2
278.10437	1.2
279.07620	4.6
279.11258	3.4
280.08533	1.3
281.09320	0.7
281.12930	0.5
291.07944	0.6
292.08298	1.1
293.09271	4.0
294.10110	3.9
295.10867	44.2
296.11182	2.3
305.09430	0.5
307.07465	0.9
307.10883	15.6
308.11154	1.4
313.11795	1.1
321.08707	1.0
323.10284	2.8
325.11981	0.9
339.09738	1.9
339.13458	1.0
341.11292	0.5
351.09836	0.9
384.16733	0.6
390.18140	1.8
392.19781	1.1
400.16635	0.6
412.16867	0.5
417.16943	0.7
418.17612	1.3
432.19620	3.2
442.17892	0.7
458.17221	1.0
460.18768	84.1
461.19086	6.2
463.17352	0.7
468.15720	0.7
476.18326	2.8
479.95102	0.6
486.16748	0.9
504.17770	100.0
505.18076	9.5
535.31073	0.7
536.20435	18.4
536.31525	1.5
537.21161	1.6
537.33044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98573	0.4
57.03443	1.1
59.01382	10.0
61.98819	0.7
69.86362	1.2
71.01374	2.0
73.02950	5.4
83.01393	4.5
85.02948	0.9
87.04514	1.2
92.05054	0.8
97.02953	0.7
98.20580	0.6
101.02433	2.4
106.06701	0.5
109.06572	0.6
113.02411	0.4
120.04549	6.0
122.06125	1.6
127.07635	0.4
137.06050	0.5
139.07660	0.6
139.11295	7.7
141.50067	0.4
147.03270	5.0
148.04045	100.0
149.04414	2.3
151.11264	0.7
152.07176	2.6
153.36159	0.4
164.34981	0.3
165.09230	0.6
167.10748	0.4
169.12343	1.7
170.12529	0.4
179.10719	1.1
180.06528	0.5
181.12363	2.5
183.10272	10.4
188.07166	1.2
190.05119	0.6
190.77635	0.4
195.13893	0.6
197.11818	0.9
199.13397	0.5
225.11359	7.9
226.11317	0.4
239.15231	0.3
243.12343	5.2
245.12711	0.4
249.11150	0.9
253.09886	0.5
256.03375	0.7
257.03610	0.6
263.12970	0.5
267.12283	0.7
279.07675	0.5
285.03836	0.7
285.13345	0.6
286.04285	0.7
287.04337	1.0
288.04767	0.4
291.12317	1.4
295.10785	2.3
307.10760	0.5
309.13245	0.6
327.14569	2.5
369.15485	0.5
384.61966	0.4
387.16620	1.9
460.18707	4.3
492.11081	1.5
495.15390	0.4
504.17709	4.7
505.18335	0.7
518.20270	1.6
536.21344	68.1
537.21545	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	536.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.4
61.98829	100.0
71.06236	0.8
84.64725	0.4
90.64439	0.3
100.53140	0.4
103.07736	0.4
153.95370	0.4
348.89630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31609	0.3
54.38863	0.4
57.03444	0.6
59.01375	12.1
60.99308	16.7
61.98825	2.7
71.01383	6.4
71.52292	0.6
72.99286	0.7
73.02943	2.5
75.00887	0.6
78.56688	0.3
85.02957	1.4
87.00855	0.4
88.98804	100.0
89.02443	12.7
89.03017	0.5
89.99142	0.7
99.00887	2.4
101.02445	7.4
103.00367	2.4
113.02435	1.6
119.03500	1.0
121.02872	0.4
125.02431	0.9
131.03513	2.3
135.04501	1.5
143.03506	0.6
149.04549	12.9
161.04539	1.2
165.01935	2.3
179.03453	0.7
183.10208	0.4
191.05565	2.4
196.18594	0.4
201.14763	0.4
221.06668	1.9
227.03477	2.7
243.12422	0.7
251.07727	1.8
255.02986	4.3
284.03284	4.9
285.04019	1.3
293.08844	1.1
311.09882	2.6
316.53058	0.4
375.27386	0.8
389.25272	0.7
447.09274	10.3
448.09564	0.6
493.16754	0.6
536.31653	0.6
537.21173	21.6
537.32709	7.3
538.21313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03442	0.4
58.00594	0.9
58.39815	0.3
59.01380	26.1
61.98822	1.5
71.01007	0.6
71.01383	6.9
71.51241	0.9
72.99299	0.8
73.02939	1.5
75.00854	0.9
83.01382	1.0
85.02952	2.9
87.00889	1.5
88.00399	0.6
88.98805	1.0
89.02457	3.1
95.01409	0.6
96.95988	1.2
99.00853	0.5
101.02436	3.5
103.00372	100.0
108.02191	0.7
113.02474	2.1
115.00363	0.5
119.03502	0.8
133.03006	0.6
136.85658	0.4
138.65028	0.4
152.01134	0.7
162.31511	0.4
164.79982	0.4
173.57449	0.4
181.12270	0.6
183.10287	0.4
188.79567	0.4
199.13417	2.0
243.12425	1.2
273.72812	0.5
317.02014	1.0
317.16406	1.0
332.04666	0.6
332.18698	2.3
338.74182	0.4
343.17545	4.1
361.18683	15.0
362.19061	1.1
403.19675	1.2
519.20947	0.6
537.12158	0.8
537.21863	18.5
538.22046	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.5
59.01379	19.6
60.99309	12.6
61.98829	12.1
69.21514	6.3
69.21925	1.2
71.01382	7.8
72.99306	1.5
73.02940	5.4
75.00872	15.3
83.01388	1.7
85.02948	6.0
87.00870	1.0
87.04495	0.8
87.27792	0.7
88.98806	100.0
89.02439	10.5
92.92462	0.9
93.35285	1.0
95.01366	0.9
99.00896	1.2
99.04526	3.3
101.02435	6.5
103.62652	0.8
111.00884	1.1
113.02448	3.0
116.92876	1.8
119.03577	1.5
119.04988	0.9
123.04501	0.8
125.02427	0.9
125.36602	0.8
133.01413	1.5
134.03748	1.0
134.06129	1.2
135.04530	3.3
139.11266	1.0
148.04042	8.3
149.04344	4.0
149.06105	1.8
161.04617	0.9
163.04063	1.5
169.01413	1.6
178.02693	1.2
179.03470	3.0
183.10246	2.5
225.11386	1.6
243.12321	2.0
285.13202	0.8
315.25323	1.1
357.26224	1.7
359.28186	1.1
375.27502	4.0
424.92990	0.9
477.20026	1.1
477.30771	14.5
536.31708	8.5
537.21729	9.3
537.32117	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	537.3066
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
53.58737	0.6
59.01379	100.0
59.96862	0.5
61.98827	3.2
71.08686	0.9
71.09019	1.1
83.01404	1.0
83.05019	0.8
109.06555	0.7
116.92894	0.9
125.09742	0.7
159.00136	0.8
171.10271	12.9
209.11804	1.3
211.13441	1.7
231.14018	1.6
233.15492	1.9
249.14905	6.7
385.23920	1.1
403.25125	2.4
449.28918	0.8
459.27444	10.8
477.28613	18.8
478.28986	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03446	1.2
58.00589	0.5
59.01379	14.2
60.01701	0.3
61.98833	2.7
68.99571	0.4
69.03440	0.4
69.20162	0.8
69.20596	1.3
71.01382	7.9
72.99296	0.7
73.02935	1.5
75.00858	0.3
80.05052	0.3
82.95464	0.2
83.01390	1.4
85.02945	2.8
87.00865	0.7
87.04509	0.6
87.10026	0.2
88.98797	0.5
89.02437	4.8
90.38895	0.2
93.03432	0.2
95.01386	0.6
96.04540	0.6
97.02962	0.4
99.00897	0.3
99.04507	0.3
101.02446	4.9
107.03780	0.3
109.06610	0.3
111.00910	0.5
112.98589	0.3
113.02443	2.2
116.92869	0.3
118.22752	0.2
119.03490	1.2
121.09473	0.2
122.06117	0.9
123.06373	0.2
123.08186	0.4
125.02444	1.0
131.05017	0.3
133.01442	0.3
134.06131	0.4
135.04515	1.0
137.09708	0.3
139.11279	0.8
149.06024	0.3
151.00351	0.6
151.11177	0.3
152.07179	1.8
153.07607	0.4
155.10744	0.9
157.12354	0.6
160.03957	0.2
161.04553	0.3
169.01462	0.7
169.12296	0.6
179.03508	0.8
180.06747	0.4
183.10281	0.4
185.11806	0.9
188.07178	0.7
199.09673	0.6
211.08755	0.2
215.12846	0.4
227.03505	0.8
241.10817	0.2
246.13264	0.2
251.20419	0.3
253.09686	0.5
255.02994	1.9
256.03583	0.3
283.02621	0.4
284.03308	1.9
285.04028	2.8
286.04358	0.4
295.10867	0.7
296.11295	1.2
307.10754	0.3
308.11087	0.4
311.22348	0.4
314.08997	0.9
327.21564	0.3
327.25177	0.4
329.23285	1.3
339.25439	0.5
357.26456	7.0
358.27029	0.4
373.25882	0.8
374.26324	0.3
375.27493	16.4
376.27835	0.8
416.12012	0.7
460.18808	0.3
461.19003	3.6
475.21753	1.1
477.30188	0.3
489.10352	2.9
490.10492	0.8
503.47672	0.3
505.18118	5.3
506.18829	0.3
519.31659	1.9
535.31769	0.3
537.32745	100.0
538.24866	0.4
538.33075	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	538.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09727	0.3
54.42879	0.4
57.20220	0.4
59.01387	2.5
61.98837	2.9
70.69270	0.4
71.00485	0.6
71.01400	0.4
96.31161	0.4
97.70655	0.3
106.06626	0.4
108.08201	5.0
109.88000	0.4
115.92078	0.5
116.92873	1.0
120.04514	0.4
121.05336	5.3
122.06100	0.5
124.04066	0.5
132.04594	2.0
134.06134	3.1
135.03316	0.6
136.07681	100.0
137.08018	1.7
150.01941	0.5
152.03485	0.9
153.04298	3.5
160.04037	0.6
176.07318	0.4
190.05090	1.6
192.06621	0.9
210.07716	0.4
210.09485	0.7
213.10373	2.7
221.07173	0.6
222.07973	1.8
223.08760	0.7
224.05954	0.6
225.06770	1.2
225.10313	1.2
234.07921	0.4
235.08791	0.7
237.06648	1.8
237.10304	9.8
238.07378	1.4
238.09007	1.0
238.10767	0.4
239.08195	1.0
245.05641	0.5
249.06583	1.2
249.10419	0.6
250.08806	0.4
251.08221	4.3
252.05431	0.6
252.08846	0.7
253.09798	4.8
254.10529	0.8
263.08267	1.4
264.08963	1.0
265.06186	5.5
265.09787	2.3
266.06937	9.1
267.07797	0.7
267.11340	0.7
269.29453	0.5
270.11417	0.7
277.06287	1.2
278.06921	4.4
279.07672	3.9
279.11383	2.7
280.08630	3.5
280.43597	0.5
281.09308	42.5
282.09625	2.0
283.10886	0.8
284.08054	0.8
293.09314	24.7
294.09946	2.5
295.10849	0.5
307.07037	0.5
313.11981	6.3
320.62546	0.4
323.10284	0.8
325.11823	2.0
338.12714	3.1
339.13474	0.7
357.11230	0.4
362.18680	0.6
374.15079	0.9
386.18790	2.9
400.12659	0.5
401.13647	0.5
402.18338	3.9
415.15323	0.5
430.17679	32.7
431.17944	2.6
434.20801	1.2
456.15863	0.5
462.20346	43.0
463.20660	4.1
474.16693	16.7
475.17017	1.3
494.22992	8.1
495.23260	0.5
506.19324	57.5
507.19696	5.4
538.21906	10.7
538.29883	0.6
539.21967	0.9
539.28741	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29299	0.4
59.01373	1.4
61.98830	3.9
69.10794	0.4
69.72832	1.0
69.73248	1.4
93.67393	0.4
108.08199	6.8
121.05347	6.2
124.03996	0.4
128.79398	0.4
135.03271	1.4
136.07678	100.0
137.08018	2.0
140.26575	0.5
152.03545	1.3
153.04338	4.0
197.07289	0.7
210.07771	0.8
210.09457	0.7
213.10292	1.2
222.08006	1.2
223.06435	0.7
224.05998	0.9
225.06668	1.5
225.10371	1.0
235.08858	0.8
236.05707	0.5
237.06805	2.0
237.10338	4.7
238.07477	2.2
239.08205	1.1
249.06688	1.0
249.10426	0.5
250.07391	0.8
251.04477	0.7
251.08284	4.3
252.05392	0.9
252.08945	1.4
253.09804	5.7
263.05692	0.5
263.08307	1.9
264.05322	0.5
264.08963	0.7
265.06183	5.2
265.09818	3.0
266.06946	12.4
266.09726	0.6
267.07318	0.9
270.11331	0.7
275.08292	0.7
277.06082	0.9
278.06931	5.6
278.48871	0.4
279.07767	4.1
280.08521	5.6
281.09293	52.9
282.09726	2.4
284.07977	0.9
293.09286	35.7
294.10031	5.2
307.07001	0.6
312.07672	0.5
313.08444	0.8
313.11890	5.7
325.11923	0.9
326.08920	0.5
349.15161	0.4
386.18976	0.7
402.18198	4.4
430.17685	57.3
431.18085	4.2
434.20776	1.2
458.81070	0.5
462.20340	25.4
463.20587	1.7
474.16696	31.6
475.16959	2.0
488.17868	0.6
506.19296	59.9
507.19507	4.1
538.21161	0.8
539.28363	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43110	0.2
57.08914	0.2
58.98614	0.2
59.01379	100.0
60.01711	0.7
60.99295	0.6
61.62916	0.2
61.98822	3.2
62.26433	0.2
63.94493	0.3
66.29472	0.3
71.01369	1.4
71.52077	0.3
72.99312	0.3
73.02962	0.5
85.02978	0.4
87.00876	0.5
88.54166	0.2
88.98798	4.2
89.02444	3.2
101.02442	1.3
102.02798	0.3
105.03488	0.3
113.02426	0.4
115.00468	0.3
115.04029	0.3
119.03511	0.3
126.94869	0.2
128.00116	0.3
131.03532	0.3
133.02959	4.3
133.03899	0.4
134.03807	0.5
143.03493	0.4
163.06094	1.4
177.01985	1.4
177.03949	0.2
178.02797	0.5
190.57582	0.3
193.05069	0.6
205.07281	0.5
245.12830	0.3
317.16263	5.5
332.18655	16.2
333.19061	0.8
399.54584	0.3
473.33334	0.3
478.23886	0.7
538.23157	0.4
539.23584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2133
Annotation	Erizomycin
Peak:m/z	Relative Intensity
51.60396	0.5
57.03455	1.8
59.01379	49.9
61.98824	1.3
67.53102	0.4
69.03458	0.8
69.27692	1.3
69.28114	2.8
71.01381	5.3
73.02940	8.8
80.14843	0.4
83.01387	8.4
85.02948	1.7
87.04501	1.9
89.02425	0.9
95.05036	0.6
97.02960	0.8
99.00930	0.7
99.04505	0.6
101.02452	4.9
106.04259	1.3
107.05027	88.1
108.05366	0.7
109.06567	0.6
112.04036	0.6
113.02471	2.1
116.92860	3.0
116.93603	0.5
121.02924	0.7
123.04493	1.8
125.02463	0.8
129.17313	0.5
129.35175	0.4
134.02480	0.7
135.03220	1.1
137.09718	0.7
139.07588	0.5
139.11292	17.1
140.11626	0.6
148.16914	0.4
149.06071	1.1
151.04007	18.3
151.11293	0.6
152.04292	0.6
161.04579	0.5
163.11285	1.0
165.09256	0.8
167.10773	0.7
169.12299	2.3
179.02121	0.7
179.10779	1.7
181.12352	7.9
183.10258	23.9
184.10666	0.6
185.66576	0.6
197.11806	1.7
199.13478	0.6
205.12318	0.9
211.13351	0.7
218.09189	0.4
225.11325	12.5
231.10074	0.8
243.12373	8.0
249.11296	1.1
257.13004	0.7
267.07748	1.0
267.12375	1.2
277.11963	0.6
285.13412	1.1
291.12405	1.9
291.16010	2.8
309.13242	0.7
327.14395	3.3
332.79633	0.6
332.97614	0.5
351.39755	0.5
375.17819	1.0
387.16589	4.5
417.58383	0.5
477.20908	2.5
479.32663	0.6
490.85284	0.6
495.22348	12.5
496.22806	0.8
507.16031	3.4
521.20282	1.9
539.21307	100.0
540.21753	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	539.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63478	1.2
56.14314	1.2
57.03424	2.7
57.90227	1.3
59.01378	100.0
60.49170	1.3
61.98832	18.4
69.79337	2.5
69.79731	3.6
71.01012	2.3
71.01381	38.3
73.02946	40.3
80.96490	1.5
83.01389	12.8
83.38132	1.4
85.02949	7.7
89.02444	10.3
98.19987	1.7
99.04520	2.6
101.02444	38.7
103.00320	1.3
108.28514	1.4
113.02451	16.0
115.08755	2.2
119.03475	3.8
121.02909	1.5
125.02436	2.8
128.58084	1.2
131.03513	3.2
134.03769	1.7
136.07628	4.1
143.03410	2.7
147.04546	3.5
149.04555	3.3
154.09836	2.0
157.09827	4.0
161.04533	7.7
164.07176	3.8
172.10934	12.0
196.10817	1.9
203.05727	1.6
348.65079	1.3
435.23575	1.8
479.26276	2.3
497.27429	4.8
509.24011	8.5
539.29169	27.6
540.29034	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	539.2626
Annotation	CHEBI:68152
Peak:m/z	Relative Intensity
59.01385	7.1
61.98830	11.5
66.06889	0.8
69.56828	4.7
70.87527	0.7
78.95905	25.4
81.32896	0.7
96.96928	1.5
98.55115	0.7
99.08195	0.9
110.72862	0.9
113.09724	2.2
128.34229	0.7
129.09203	3.0
134.03697	1.7
136.07681	2.8
149.06148	1.0
152.99590	35.3
169.12296	2.3
171.00632	2.4
171.10196	0.9
181.12341	2.4
183.13908	1.5
193.12358	1.0
197.11833	10.0
199.13380	5.0
211.13393	9.6
227.03259	3.4
245.04189	2.1
268.86545	1.0
275.20370	1.2
282.07828	1.1
293.21228	11.0
311.22278	35.4
312.22705	1.0
335.21887	1.3
389.14307	0.8
447.21402	1.8
463.18881	3.0
539.26306	100.0
540.26776	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	539.274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17582	5.5
57.49787	4.8
58.09458	4.7
58.82659	5.2
59.01366	5.5
61.98828	15.7
70.02046	24.6
78.95892	10.6
83.75680	6.2
109.28928	4.9
117.67239	5.3
122.16063	6.1
123.11897	6.6
141.21133	6.4
279.23294	100.0
476.28067	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28838	0.6
59.01390	1.6
61.98830	100.0
67.17288	0.6
69.64460	2.4
69.64869	1.3
72.45766	0.6
110.02280	0.7
111.94499	0.8
123.98483	0.7
167.39873	0.7
208.36386	0.6
238.34122	0.6
331.65881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14590	0.4
54.58532	0.5
57.03445	2.6
59.01380	11.3
59.52321	0.4
61.98827	4.1
68.99565	0.6
71.01379	3.4
73.02943	3.4
81.03451	0.7
82.95403	1.7
83.01382	3.1
85.02973	0.7
89.02450	1.0
91.01868	0.5
94.21748	0.4
97.14746	0.5
97.18783	0.4
99.04533	1.1
101.02461	2.5
101.59307	0.5
103.00339	0.6
108.02170	4.1
109.02953	78.6
110.03301	1.3
113.02422	1.0
123.04515	2.1
125.02436	1.0
125.81564	0.5
130.08723	0.8
134.03712	0.5
135.00903	1.2
135.04507	1.3
138.47139	0.5
139.11307	2.7
153.01932	100.0
153.05412	2.6
154.02281	1.6
169.12309	0.7
179.10800	0.9
181.12376	1.2
183.10240	4.1
197.11844	1.0
216.49380	0.5
225.11320	4.3
242.52271	0.4
243.12367	5.8
249.11159	0.7
267.12344	1.4
285.13275	1.0
291.12418	1.0
297.20447	0.5
309.13525	0.5
327.14532	3.2
343.18948	0.5
387.16583	9.7
388.16782	0.8
481.27750	1.1
541.18518	11.7
542.19751	0.7
542.31091	0.6
548.62158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
59.01379	7.1
66.39446	0.4
69.03489	0.4
70.47800	0.4
70.48148	1.1
71.01376	1.7
71.06868	0.4
73.02944	2.0
81.03469	1.0
83.01394	0.8
85.02955	2.0
87.04520	0.4
93.03461	0.5
95.01395	1.5
101.02438	0.9
106.07588	0.3
108.02176	41.6
109.02957	32.2
110.03270	0.4
113.02460	0.7
121.02969	0.4
123.00877	1.0
123.04543	0.9
139.11288	5.8
143.97586	0.4
151.04028	0.8
152.01154	50.5
153.01938	19.9
163.03990	0.9
181.12335	1.5
183.10266	5.7
225.11349	2.4
243.12360	0.7
315.07321	0.5
347.27249	0.4
428.03018	0.4
440.15274	0.4
479.19339	2.8
481.17072	3.5
497.20282	4.4
498.20593	0.4
523.18256	2.0
541.19250	100.0
542.19543	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	541.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78872	0.6
53.43761	0.7
59.01381	20.0
61.98831	100.0
64.39400	0.8
70.69842	1.8
71.01388	3.0
72.99323	0.9
73.02952	1.0
85.03001	1.0
89.02450	2.6
91.47744	0.6
101.02444	2.5
103.00391	1.2
110.65504	0.7
113.02473	1.2
119.05067	0.9
121.02992	0.8
128.03523	0.9
149.02435	1.7
149.04504	1.2
150.03197	4.5
151.00360	1.1
161.04698	0.9
165.05569	5.0
167.77362	0.8
171.10286	1.1
195.06647	1.7
297.11301	1.7
300.10138	1.1
302.31647	0.8
311.09726	0.7
311.13528	0.8
315.12497	2.4
327.12363	1.4
463.17621	2.0
481.22806	1.9
493.18625	6.4
505.27130	1.2
512.22339	0.9
524.21277	1.0
541.21478	2.3
542.22272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	15.2
58.00585	1.2
59.01380	100.0
61.98832	42.4
61.99166	1.2
64.52106	0.7
69.28802	3.1
69.29238	3.0
71.01383	25.2
72.99331	1.2
73.02946	23.0
74.51243	0.7
75.00896	0.9
80.54395	0.8
83.01383	4.7
85.02966	6.2
87.00877	1.6
87.04535	1.5
89.02439	12.9
93.49931	0.7
94.03001	3.9
95.01412	1.4
95.05013	0.9
97.02974	1.2
98.19801	0.8
99.00880	0.8
99.04527	17.7
101.02448	27.8
101.03118	1.5
113.02455	10.1
116.92878	1.9
119.03484	5.6
119.05078	0.7
125.02453	8.1
128.03534	0.7
131.03516	2.2
139.43680	0.7
142.73256	0.8
143.03468	3.6
148.15773	0.7
149.04570	1.5
153.01994	1.1
159.03012	0.8
161.04556	7.0
179.05688	3.1
203.05678	0.7
243.12431	1.1
271.02820	1.2
299.02081	1.2
336.22757	1.8
337.23093	1.1
364.59238	0.9
397.22583	1.1
481.27917	7.2
499.29413	2.6
523.23987	1.8
541.23730	4.7
541.32886	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	541.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18594	0.7
52.44711	0.7
57.03449	62.6
57.64069	0.7
58.00592	1.5
59.01379	100.0
60.01692	0.8
61.98830	20.3
62.85701	0.6
69.03462	0.9
71.01382	18.5
72.99295	1.2
73.02945	13.3
75.00889	0.9
81.03468	1.0
83.01385	5.5
83.05089	0.6
85.02943	5.6
87.00887	1.3
89.02441	16.4
89.02937	1.0
94.02991	0.9
95.01387	1.7
99.00892	0.7
99.04520	63.5
99.95375	0.6
101.02441	32.6
103.00385	1.2
111.00924	0.6
113.02462	9.2
113.06100	1.8
116.92862	7.9
117.01968	0.9
119.03498	6.8
123.04510	5.7
125.02448	22.9
131.03502	1.5
141.05582	1.2
143.03516	4.7
149.04568	3.9
151.00407	0.8
153.01955	2.7
153.05647	1.1
161.04552	8.9
179.05594	6.0
198.95940	0.6
221.06665	1.5
221.60425	0.6
288.92300	0.6
397.22372	1.4
429.38470	0.6
439.23416	1.2
479.26663	0.6
481.28088	7.3
499.29596	2.6
523.20520	0.8
541.26282	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	541.267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03447	95.9
58.00609	0.7
58.03797	0.8
59.01378	100.0
60.01710	0.9
61.98824	4.5
69.03461	0.9
70.45532	1.7
71.01381	23.0
72.99319	1.5
73.02948	10.9
74.02467	0.7
78.65099	0.7
81.03462	2.5
83.01381	5.5
85.02935	4.9
86.82534	0.7
87.00877	1.2
89.02442	17.8
95.01396	1.3
97.06567	0.9
97.62686	0.6
99.04517	84.3
100.04840	1.5
101.02438	38.3
103.00385	1.9
105.01565	0.5
107.05032	6.8
108.05365	2.4
113.02441	9.8
113.06068	0.7
119.03486	7.7
123.04520	4.8
125.02444	24.5
126.27882	0.6
131.03502	1.5
139.11278	1.6
141.05573	0.9
143.03484	5.5
149.04527	2.9
151.03969	1.4
161.04568	7.2
179.05649	5.2
183.10220	2.1
184.10599	0.8
210.09044	0.8
221.06619	1.0
243.12312	1.9
397.22391	3.3
427.05795	0.7
439.23203	1.1
481.28015	4.7
497.22604	1.0
499.28754	1.9
541.20276	11.8
541.26447	3.8
542.22321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85805	1.0
55.01883	0.9
57.03447	15.5
59.01378	100.0
61.98832	27.3
65.01847	0.8
69.03452	1.0
69.22354	9.9
69.25513	1.0
71.01381	28.8
73.02946	30.6
75.14389	1.1
75.86230	1.1
78.98373	1.3
83.01387	11.5
85.02943	4.4
87.00873	2.3
89.02447	11.5
95.01392	1.4
96.96060	1.0
99.00899	1.4
99.04522	18.9
101.02441	35.8
109.06605	1.0
113.02442	11.3
113.91332	1.0
117.07101	3.4
119.03496	4.9
121.02950	11.5
123.04513	1.5
125.02456	7.4
131.03503	2.7
135.04486	2.5
143.03497	4.1
149.04509	3.1
149.06148	1.2
152.95290	1.1
161.04570	9.4
166.06328	3.3
171.10213	1.2
179.05580	3.0
215.47900	1.4
221.06516	1.5
235.13408	8.4
253.09372	1.1
287.16565	4.0
305.17435	1.4
319.22360	2.3
481.27667	8.7
499.29053	3.4
503.32489	2.4
523.25262	10.6
541.30511	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25543	0.6
54.76582	0.5
54.76903	0.6
55.01880	3.7
55.51762	0.5
57.03451	12.4
58.00594	1.5
59.01381	100.0
59.39560	0.6
61.98833	13.5
63.94815	0.6
69.03465	2.4
71.01385	58.5
71.05001	2.7
71.09485	1.4
72.99314	4.4
73.02950	20.5
75.00876	1.5
80.37109	0.6
81.03458	1.9
83.01392	12.0
83.05094	0.7
85.02952	26.6
86.00096	2.1
87.00887	10.8
87.04526	1.3
88.98798	1.1
89.02448	26.9
90.02798	0.6
95.01373	3.9
95.05020	0.8
97.02956	5.5
97.06606	2.1
99.00881	19.8
99.04527	10.8
101.02447	54.5
101.06078	0.8
102.02785	0.8
103.04022	7.4
109.02949	0.6
109.06622	1.3
111.04472	0.6
113.02454	23.4
115.03986	0.7
119.03513	14.0
121.02972	1.1
123.08135	1.0
125.02456	10.1
125.09737	5.0
127.04015	1.0
131.03476	3.4
136.05324	1.0
137.97002	0.6
142.02708	0.8
143.03505	6.8
145.05049	2.3
147.11806	18.2
148.12177	0.6
149.04544	1.2
149.06010	0.7
159.03052	3.6
159.06625	12.1
161.04558	24.0
161.05899	1.3
161.09703	0.8
163.06126	28.2
163.11279	5.4
171.10280	1.5
179.05620	9.5
181.12354	9.6
197.11789	1.0
199.13414	6.1
205.07196	7.3
207.10254	18.2
225.11324	35.3
226.11671	1.1
243.12361	24.1
244.12651	0.9
247.08203	2.6
249.09795	5.5
253.09361	0.7
265.09210	2.3
285.03989	0.9
289.18146	1.0
289.66437	0.5
299.14880	1.1
307.10364	1.4
317.16025	12.6
321.24307	1.2
339.25381	0.9
395.15576	6.6
397.22354	7.7
399.23862	1.3
406.70193	0.6
439.32187	1.1
483.29630	28.1
484.29697	1.5
501.30630	5.8
525.26947	1.8
543.27930	61.4
544.28363	4.6
556.24664	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	68.2
58.03780	0.8
59.01381	100.0
61.98828	11.0
71.01384	20.4
72.99306	1.3
73.02940	6.8
81.03452	1.4
83.01381	4.7
83.05000	0.7
84.53357	0.8
85.02943	9.6
87.00900	1.9
89.02447	6.7
93.03481	0.9
95.01409	1.1
97.02997	1.0
99.00893	3.1
99.04520	79.9
100.04858	0.9
101.02444	31.4
101.03111	1.7
103.00382	1.8
110.23700	0.7
111.00906	1.6
113.02456	10.4
116.92899	1.0
119.03494	2.4
125.02450	29.9
132.04506	0.7
136.07681	5.4
143.03511	4.3
149.04591	1.0
159.02980	1.1
161.04538	6.4
171.10242	0.8
179.05655	1.1
179.56186	0.7
181.08716	1.1
181.12161	1.2
190.05167	1.2
225.11467	1.0
237.18764	1.2
283.10867	1.2
321.24634	0.9
343.13867	3.8
373.35925	0.9
399.23853	7.3
441.24997	5.7
443.23032	2.6
475.18433	4.4
476.18503	2.4
481.28186	1.6
483.29501	5.2
501.30902	1.8
501.83322	0.8
508.20554	4.0
525.27417	1.1
543.28094	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	543.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03451	69.1
59.01382	100.0
60.01710	1.0
61.98833	7.8
62.70286	0.8
69.03468	0.9
71.01387	20.3
72.99288	1.2
73.02947	7.4
81.03442	2.1
83.01382	4.5
84.11671	0.9
85.02947	8.1
87.00878	2.3
88.36880	0.8
89.02451	8.6
95.01376	1.9
99.00882	2.4
99.04522	75.6
100.04870	1.2
101.02444	32.0
108.08189	0.9
113.02463	9.8
119.03486	2.2
125.01534	1.7
125.02445	27.1
135.08134	1.8
136.07686	16.8
143.03497	4.9
161.04556	8.0
168.36165	0.9
171.10298	3.9
176.03426	1.0
179.05548	1.8
190.05020	1.1
194.56010	0.8
239.11870	3.6
253.09244	1.4
283.10861	7.7
289.18042	2.9
295.10941	2.2
307.19104	2.4
381.22861	1.0
391.70972	1.0
399.23868	15.2
430.17432	0.9
432.19196	5.4
441.25000	4.7
476.18286	23.5
483.29343	5.7
499.29355	1.0
501.30588	1.1
508.20901	8.2
525.27222	1.8
543.28033	15.6
544.28284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
55.48980	0.6
57.03449	58.4
59.01379	100.0
60.01703	1.3
61.98831	16.0
71.01382	21.1
72.99323	1.5
73.02947	12.2
75.00863	1.0
80.69765	0.6
81.03469	1.2
82.02950	0.9
83.01387	5.6
85.02954	9.2
87.00893	1.5
89.02448	9.9
94.02991	3.8
95.01411	1.8
97.02943	0.7
97.06596	0.8
98.94269	0.6
99.00898	2.5
99.04519	67.5
100.04903	0.7
101.02442	32.1
102.38548	0.6
103.00385	0.9
104.06364	0.7
109.66792	0.7
113.02448	14.1
119.03518	5.3
119.05016	0.7
123.04544	2.7
125.02447	24.8
125.03339	1.2
125.09834	0.7
131.03563	1.6
135.04526	0.8
137.06120	1.5
142.00763	0.6
143.03491	4.5
149.04604	1.4
159.03021	1.1
161.04552	9.9
171.10316	1.3
173.21846	0.6
179.05659	2.8
181.12367	0.8
183.20078	0.6
231.48531	0.8
253.09390	1.3
263.16611	1.6
289.14441	1.0
307.15564	2.3
307.18710	0.7
367.21317	0.8
399.23901	11.0
421.43005	0.7
441.25131	3.3
483.29596	6.6
501.31091	3.1
543.29230	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	543.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87116	0.6
57.03449	71.3
58.00587	1.1
58.03784	1.2
59.01380	100.0
60.01712	1.1
61.98830	10.8
69.03449	0.7
70.46549	1.2
70.46917	1.3
71.01381	21.1
72.99316	1.2
73.02945	8.1
75.00880	0.8
79.05547	0.6
81.03476	1.6
83.01392	4.5
83.05055	0.6
85.02943	5.3
87.00896	1.7
88.98833	1.6
89.02446	19.7
94.98125	1.3
95.01404	1.8
97.03010	0.7
97.06592	0.6
99.00896	0.8
99.04519	70.6
100.04847	1.4
101.02441	33.3
103.00359	2.9
113.02433	8.6
119.03489	8.8
123.04530	2.7
125.02447	25.3
131.03506	1.9
141.05606	0.8
143.03508	4.4
149.04538	1.4
161.04552	5.5
171.10330	1.0
179.05650	6.2
270.39746	0.5
285.04007	0.6
399.23898	5.1
408.59634	0.5
441.25107	2.3
483.29712	5.9
543.19489	0.7
543.28271	7.0
544.29993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	24.7
59.01379	70.0
61.98827	19.0
69.67262	4.5
69.67654	12.8
71.01382	31.7
71.05018	8.9
72.99306	4.9
73.02934	7.0
83.01367	6.9
83.05043	3.2
85.02944	25.6
89.02448	5.3
92.97481	2.2
95.01399	6.4
97.06592	5.7
99.00874	2.6
99.04512	14.1
101.02435	16.8
111.08166	4.5
113.02460	15.3
116.92856	6.2
116.97270	8.4
125.02431	6.4
142.75528	2.2
161.04640	2.9
165.12881	4.2
171.13887	2.6
176.42555	2.7
195.17531	18.1
209.11850	3.2
237.22249	5.6
253.09338	2.7
279.23303	16.1
295.26379	27.8
307.19232	4.1
339.25360	100.0
340.25732	7.4
353.26959	4.9
363.25406	4.4
381.26437	3.8
393.26285	2.7
399.23886	4.9
483.29584	17.9
501.30527	15.4
543.31781	96.7
544.32172	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	543.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
56.89486	0.3
57.03450	2.0
58.00595	0.8
59.01379	44.2
60.01722	0.2
61.98837	0.7
65.07451	0.2
68.99816	0.2
69.03448	0.5
71.00101	0.5
71.01382	18.9
71.04997	0.2
72.99303	0.9
73.02945	7.2
75.00861	0.4
83.01384	3.3
85.02948	10.2
86.00086	0.3
87.00880	1.1
89.02435	3.6
95.01396	1.9
97.02975	0.6
99.00861	2.0
99.75297	0.2
101.02442	12.4
102.02794	0.3
109.58327	0.2
111.00830	0.3
112.40666	0.2
113.02447	7.9
117.10285	0.2
119.03519	0.8
125.02453	0.5
129.01891	0.3
132.08517	0.2
143.03522	0.6
159.02991	0.7
161.04559	2.9
187.84773	0.2
195.17542	0.8
239.39066	0.2
279.23264	0.5
295.26437	1.4
307.18954	0.3
307.26193	0.2
311.18167	0.2
334.21820	0.2
339.25562	0.3
457.31586	1.6
460.68295	0.2
483.29544	1.5
501.30707	2.8
525.30743	0.4
543.31714	100.0
544.32050	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	543.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.03448	9.3
58.00578	0.6
59.01378	100.0
60.01705	0.9
61.98829	14.2
69.03434	0.6
71.01381	17.2
71.52299	0.3
72.99305	1.0
73.02948	5.4
75.00864	0.5
81.03469	0.4
83.01390	2.9
85.02949	7.8
87.00887	1.9
87.04515	0.7
88.98828	0.9
89.02442	10.6
95.01392	1.6
96.96011	1.3
97.02952	0.9
99.00878	1.8
99.04517	8.0
101.02438	15.2
102.02761	0.4
103.00387	1.1
111.00886	0.5
113.02453	11.0
115.04042	0.5
119.03506	4.9
119.05025	1.0
125.02451	3.3
129.01933	0.3
131.03569	0.6
135.04512	0.4
136.07616	0.3
143.03494	1.9
149.04526	0.9
153.01921	0.6
159.03011	1.1
161.04550	7.0
163.04013	0.6
171.10222	0.4
174.03255	0.6
179.05626	2.5
217.16743	0.4
251.20093	0.4
270.06421	0.4
272.09213	0.4
273.09323	0.4
321.24295	1.0
339.25372	0.6
395.24313	0.6
399.23779	2.3
407.24402	0.7
425.25253	0.5
465.28409	0.6
483.29587	47.5
484.30115	4.2
501.30655	5.5
543.31567	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	543.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17886	0.5
55.01877	0.9
56.39616	0.6
57.03442	2.8
58.00605	0.8
58.56297	0.5
58.56572	0.5
59.01380	100.0
60.01728	0.6
60.08329	0.5
61.98829	29.5
63.13253	0.5
69.03481	0.6
69.23460	3.8
69.23873	1.3
71.01380	23.9
72.99320	1.5
73.02947	5.8
75.00872	0.7
78.51823	0.6
80.96533	1.1
83.01383	2.6
83.05094	0.6
85.02953	9.8
87.00895	1.4
88.98836	0.8
89.02444	15.4
93.08462	0.6
95.01417	1.4
97.02935	1.6
99.00900	2.3
99.04540	2.9
101.02438	16.8
102.02781	0.5
103.00371	9.9
103.00990	0.8
111.00900	0.8
113.02449	11.0
116.92886	2.3
117.92870	1.9
118.92658	1.0
119.03510	6.9
121.02892	0.7
123.08215	0.6
125.02456	1.5
131.03510	1.3
135.03036	0.8
139.83469	0.5
143.03516	1.8
149.04553	0.6
154.36623	0.6
159.03015	1.3
161.04567	8.3
171.10217	0.6
179.05635	4.7
225.11349	0.6
227.12897	1.3
237.76895	0.6
272.09256	0.6
283.99356	0.6
296.11444	0.7
321.24554	1.6
323.22577	0.8
367.21484	0.6
399.23209	0.7
446.77090	0.6
483.29611	71.0
484.30145	4.6
501.30667	1.0
511.19403	0.8
543.22247	1.8
543.31647	2.8
544.25244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07894	0.7
57.03441	2.3
59.01379	98.1
61.98832	1.6
66.03477	1.7
67.01891	6.1
68.35700	0.8
69.22538	6.7
69.22842	0.8
71.01386	7.4
73.02943	11.4
73.59255	0.7
82.02982	4.8
83.01386	11.0
84.90971	0.9
85.02942	1.9
94.02986	76.9
95.03299	0.8
97.02978	1.1
97.06596	1.1
99.00885	1.3
99.04500	2.1
101.02428	9.0
103.00385	1.7
109.06640	1.1
113.02461	3.4
143.03520	1.0
149.09685	0.9
161.04538	1.9
165.12810	1.3
167.10852	1.6
174.16496	0.8
199.91872	0.7
203.05527	1.9
207.13982	4.1
209.11783	6.1
215.59659	0.9
225.14960	10.3
227.12886	45.4
228.13329	1.1
233.11818	2.2
242.07935	0.8
249.08484	0.8
251.12901	2.6
269.13928	6.0
286.09283	1.7
287.14975	12.7
329.16122	1.7
337.97559	0.9
371.17108	2.2
413.18103	1.6
431.19205	8.8
508.21835	2.0
514.22821	16.7
526.22870	40.3
527.23407	3.9
544.23987	100.0
545.24194	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	545.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03449	92.7
58.00602	1.0
59.01381	96.4
61.98829	15.2
69.03434	1.2
71.01387	18.9
72.99301	1.6
73.02947	7.8
75.00863	2.2
81.03463	1.9
81.42568	0.8
83.01384	5.1
83.05006	1.0
85.02957	8.2
87.00893	1.4
88.98803	5.6
89.02448	4.7
95.01373	1.2
96.95978	1.3
98.19875	1.8
99.00887	3.2
99.04520	100.0
100.04849	1.3
101.02446	35.5
101.03115	1.9
103.00378	25.0
110.02362	1.0
113.02454	7.2
119.03541	0.8
119.05095	1.0
125.02449	30.8
129.01926	2.0
143.03479	5.9
154.59319	0.8
159.02974	1.6
161.04591	6.4
163.06120	0.9
183.10257	1.1
318.39725	1.0
367.21100	1.1
369.22668	2.5
401.18137	21.5
441.25403	1.0
443.19092	7.7
459.25998	1.0
483.22256	1.7
501.24472	0.9
545.22906	18.0
546.22559	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05701	0.4
55.01897	0.8
57.03445	1.5
58.00594	0.9
59.01379	24.2
61.98830	8.6
69.03472	1.3
69.21577	3.0
71.01384	10.8
72.99311	0.7
73.02934	2.3
83.01410	1.3
83.05032	0.7
85.02954	3.2
87.00880	1.7
89.02447	10.9
90.18880	0.4
93.03503	0.5
93.07103	0.7
95.01385	1.0
97.02940	0.8
97.06550	0.5
99.00870	0.6
101.02441	12.6
105.62370	0.4
109.06611	0.6
109.26356	0.5
111.08167	16.5
113.02453	6.5
116.92859	0.8
119.03495	3.1
125.02459	1.0
127.07652	0.8
136.07753	0.5
141.09271	0.5
141.75584	0.4
143.03513	1.0
143.24486	0.5
151.11278	1.3
153.09274	0.4
153.12849	1.6
155.10902	0.5
159.75729	0.4
161.04581	5.0
167.10754	0.4
169.12347	8.3
171.10353	0.5
179.05678	2.4
181.12331	1.2
183.13936	0.9
186.38417	0.4
193.12193	0.7
197.11838	81.1
198.12134	1.8
199.13423	5.3
211.13402	9.7
212.13800	0.5
227.12766	2.1
235.08022	0.5
247.20686	0.9
253.09286	43.0
253.25636	0.5
254.09705	0.8
263.20166	4.5
265.18158	2.2
273.18625	1.4
291.19669	25.7
292.20081	1.1
309.20706	100.0
310.21063	4.1
324.68860	0.5
437.13095	0.5
485.31232	2.4
503.32043	1.3
513.70221	0.5
545.33698	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	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.5
57.03445	10.0
58.00578	2.9
59.01379	76.7
60.01705	0.6
61.98828	5.0
69.03440	2.5
70.52721	0.6
70.53073	1.8
71.01382	71.0
71.05019	0.7
72.99310	4.6
73.02947	19.7
75.00863	1.6
76.01872	0.5
80.51479	0.6
81.03440	1.0
83.01380	8.7
83.05021	0.9
85.02950	31.1
86.00094	2.3
87.00874	9.5
87.04508	3.7
89.02445	43.6
95.01392	5.3
97.02932	2.2
99.00887	6.5
99.04520	6.9
101.02441	53.4
101.06060	0.9
102.02779	0.8
103.04018	4.8
109.06590	1.0
111.08158	19.0
111.08900	1.1
112.01681	0.7
113.02448	32.7
114.02783	0.7
115.03991	2.6
119.03507	19.3
125.02444	4.6
127.04054	0.6
127.07655	1.0
128.82622	0.5
129.01962	1.1
131.03488	5.7
137.09712	0.9
141.09319	0.6
143.03505	12.6
145.05055	1.9
149.04549	1.6
149.13370	2.1
153.12851	1.7
159.03004	3.7
159.06615	11.9
161.04550	36.8
162.04846	0.6
163.06129	7.5
167.10696	0.8
169.12343	7.0
171.10204	0.9
177.12886	0.7
179.05614	10.7
181.12329	1.6
183.13885	0.9
197.11826	87.7
198.12099	3.1
199.13390	4.9
202.49570	0.6
205.07159	9.8
211.11450	0.9
211.13374	9.1
227.12766	2.6
235.08128	0.6
247.08075	1.6
249.09789	10.9
253.09277	52.8
254.09677	1.3
263.20074	4.1
265.18054	2.2
273.18558	1.9
291.19650	25.9
292.19940	1.6
301.75613	0.6
309.20700	100.0
310.21127	3.7
381.22900	0.6
395.15552	7.4
396.16318	0.7
399.23843	26.0
400.23969	1.0
401.25531	1.3
433.20517	0.9
485.31110	2.0
503.32059	1.9
545.15802	2.6
545.29633	48.2
546.29871	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	545.3328
Annotation	3-O-alpha-Mycarosylerythronolide B
Peak:m/z	Relative Intensity
50.75904	0.3
55.01880	1.5
57.03449	1.7
57.55299	0.2
58.00594	1.0
59.01378	52.6
59.52006	0.3
61.98828	7.4
67.74088	0.3
69.03466	0.7
71.01383	22.1
71.04990	0.3
71.52593	0.3
72.99300	1.5
73.02945	7.3
75.00861	0.4
81.30296	0.2
83.01389	3.4
85.02950	10.9
86.00092	0.8
87.00887	1.6
88.79329	0.3
89.02444	8.2
95.01392	2.4
97.02958	0.8
97.06630	0.4
99.00896	2.1
99.04530	0.4
101.02439	15.5
109.06589	0.4
111.00894	0.5
111.08157	5.9
113.02445	9.6
119.03480	2.5
124.01656	0.4
125.02430	0.7
125.09703	0.3
127.07614	0.5
129.01955	0.4
131.03535	0.3
143.03493	0.7
149.04607	0.4
151.11270	0.7
153.12837	0.5
157.12352	0.6
159.02966	0.6
161.04544	4.8
167.10808	0.3
169.12373	2.1
171.10281	0.4
179.05638	0.6
181.12279	0.6
183.13884	0.4
197.11821	27.3
198.12180	0.8
199.13367	1.8
211.13394	3.1
227.12915	0.8
235.08357	0.4
253.09261	17.5
254.09589	0.4
263.20126	2.3
265.17999	0.7
273.18668	0.4
291.19632	9.8
291.81262	0.3
292.20020	0.3
297.28107	0.3
309.20697	35.9
310.21048	1.6
341.26996	0.6
353.22028	0.2
365.27188	0.4
459.33234	1.4
460.72070	0.3
470.86975	0.3
485.31256	2.2
503.32217	3.3
545.33276	100.0
546.33643	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	545.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67372	0.4
55.01878	1.0
57.03439	2.2
57.84139	0.4
58.00599	0.6
59.01379	100.0
60.01715	1.0
61.98830	19.3
69.26747	3.3
71.01381	19.2
72.99319	0.7
73.02947	6.6
75.00878	0.5
80.63720	0.3
81.03442	0.5
83.01392	2.8
85.02951	8.5
87.00916	0.8
89.02444	6.0
89.02956	0.6
95.01408	1.1
98.19923	0.7
99.00875	2.7
99.04549	1.5
99.36853	0.4
101.02438	13.8
102.29091	0.4
103.00352	0.8
111.00893	0.6
111.08157	0.5
113.02450	9.2
119.03515	2.1
125.02450	0.6
143.03506	1.3
159.02974	2.3
161.04552	11.4
179.05611	3.8
197.11871	1.1
225.11246	0.9
253.09413	1.1
265.14651	0.4
291.19614	0.7
309.20624	1.9
388.05307	0.4
467.30087	4.9
485.31168	77.3
486.31461	5.7
503.32486	1.0
509.25934	0.6
511.29077	1.5
527.28564	0.6
545.33643	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	545.333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33200	0.2
53.68829	0.2
55.01878	0.7
57.03443	1.6
58.00605	1.1
59.01380	100.0
60.01718	0.9
61.98828	3.8
69.03474	0.7
69.27100	1.4
71.01382	31.7
72.01730	0.3
72.99315	1.5
73.02946	13.4
75.00875	0.4
81.03465	0.3
83.01388	4.2
84.02160	0.2
85.02951	10.5
87.00885	1.7
88.84964	0.2
88.98797	0.2
89.02447	17.4
95.01384	3.1
96.39854	0.2
97.02940	0.9
97.06593	0.2
99.00884	1.8
99.04530	0.5
101.02444	17.7
102.02782	0.2
103.00388	0.4
111.00897	0.2
112.01707	0.4
113.02451	31.5
114.02788	0.5
115.04018	0.2
116.92839	0.5
119.03502	6.9
124.01649	0.3
125.02438	1.0
129.01924	0.2
131.03526	1.8
141.01988	0.2
143.03505	2.9
149.04530	1.8
155.03499	0.2
157.12299	0.3
157.63380	0.2
159.02834	0.2
161.04552	9.3
166.43492	0.2
173.11818	1.2
179.05614	3.7
203.05727	0.2
209.11902	0.3
231.20549	0.2
249.67140	0.2
309.20581	0.4
323.25757	0.7
341.26843	0.8
343.17438	0.2
401.21750	0.5
437.29147	0.3
443.22415	0.2
449.29221	0.2
467.29886	0.3
485.25531	0.9
485.31155	20.9
486.31619	1.5
503.32245	12.2
504.32263	0.9
527.32526	1.5
545.33948	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	545.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03447	1.4
58.00589	0.7
59.01378	100.0
60.01709	0.7
61.98829	5.8
66.25477	0.2
69.03475	0.4
71.01380	20.7
71.05058	0.2
72.01714	0.2
72.99323	1.0
73.02947	4.3
74.27557	0.2
75.00879	0.4
83.01385	2.5
84.56618	0.2
85.02952	9.6
86.00097	0.2
87.00870	1.3
89.02442	8.9
95.01385	2.2
97.02957	0.8
97.06609	0.4
98.19846	0.4
99.00887	2.2
99.92599	0.4
101.02440	10.6
102.02804	0.2
103.00393	0.6
104.63219	0.2
111.00901	0.5
113.02450	12.5
113.09769	0.2
115.04047	0.4
115.92060	0.5
116.92839	1.1
119.03497	3.4
125.02476	1.1
131.03532	0.5
136.07704	0.5
143.03487	1.7
149.04584	0.5
150.09186	0.3
155.10828	0.3
157.12314	1.0
159.02989	0.9
161.04555	5.1
164.57971	0.2
179.05617	1.2
179.34854	0.2
181.12352	0.2
197.11798	0.3
198.68607	0.2
199.13422	0.4
205.03563	0.3
209.11798	0.4
239.63370	0.2
253.09367	0.3
255.03078	0.7
283.02368	0.3
284.03223	0.2
305.25089	0.2
309.20731	0.5
317.16013	0.2
323.25897	1.5
341.26923	3.5
369.22708	0.2
413.25897	0.2
418.74484	0.2
449.29065	0.6
467.30103	3.2
468.30533	0.4
485.31152	36.5
486.31445	2.9
503.32260	15.2
504.32364	1.5
527.32391	0.8
545.12836	0.5
545.33734	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	546.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61803	0.7
51.64111	0.6
57.03442	1.1
57.71895	0.7
59.01382	18.0
60.01722	0.8
61.98831	100.0
69.03485	0.9
71.01386	3.4
71.40008	0.7
71.51902	0.7
73.02961	1.6
76.50509	0.7
83.94043	0.6
85.02966	1.7
89.02461	2.3
101.02464	1.8
107.04586	0.7
108.08080	0.7
113.02477	2.1
116.92900	0.9
127.54633	0.6
130.08965	0.8
136.07764	0.8
161.04570	0.7
179.05627	1.1
182.56583	0.7
295.53128	0.8
310.20819	1.2
310.36481	0.7
342.27225	1.1
486.31726	1.7
487.32907	1.0
545.32574	1.4
546.34094	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	546.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
57.03445	1.0
59.01376	30.9
59.32137	0.3
60.01717	1.9
61.48818	0.3
61.98828	100.0
64.55472	0.3
71.01383	6.1
72.01731	0.5
72.99306	0.5
73.02945	1.8
81.03460	0.3
83.01399	1.0
85.02950	2.8
86.03309	0.5
87.00902	0.5
89.02440	2.4
95.01388	0.8
96.96026	0.5
97.02942	0.4
99.00895	0.7
99.04544	0.5
101.02441	3.2
102.02776	0.7
103.00376	1.5
111.00888	0.6
113.02457	2.9
114.02776	0.5
119.03542	0.5
121.18723	0.3
125.02486	0.6
143.03519	0.7
159.02931	0.5
160.70532	0.3
161.04567	2.0
162.93744	0.4
167.03627	0.3
171.10228	0.4
206.04718	0.5
211.55255	0.3
248.44234	0.3
255.02965	0.4
284.03287	0.5
285.04065	0.6
287.42563	0.4
309.20844	0.3
310.21088	0.7
375.46643	0.3
468.30804	0.7
483.17926	1.2
485.31430	0.8
486.31543	6.0
487.32889	2.4
503.32562	0.7
504.32446	3.1
505.33838	1.0
546.18762	0.6
546.27728	0.7
547.27686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48568	0.5
57.03434	1.3
58.66381	0.5
59.01381	16.1
60.99308	14.6
61.98819	1.9
62.58429	0.5
70.08121	1.9
71.01375	1.5
73.02945	1.8
73.13381	0.5
73.23186	0.5
75.00864	2.1
75.59410	0.5
85.02927	0.7
87.00849	0.6
88.00418	0.6
88.98805	100.0
89.02448	7.7
96.30582	0.5
99.04504	0.9
101.02444	2.3
103.00351	2.6
103.36875	0.5
116.58254	0.5
125.02493	0.8
134.03735	1.6
139.11292	7.8
149.06085	2.7
161.04510	0.7
163.11261	0.6
180.93459	0.5
181.12325	3.3
183.10269	11.2
199.13359	0.8
211.41629	0.5
214.10822	0.6
225.11316	4.1
243.12357	28.9
244.12724	1.0
255.02901	1.1
269.76157	0.6
271.02493	1.1
284.03259	0.6
285.04077	1.9
285.13434	9.3
286.13864	0.7
300.02798	1.7
315.14539	2.9
345.15494	14.4
371.24356	0.6
405.17606	16.0
406.18124	0.6
447.09317	1.7
533.79590	0.6
547.11121	1.5
547.27600	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	547.2184
Annotation	[3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 5,10-diacetate 6-benzoate
Peak:m/z	Relative Intensity
53.00476	0.6
55.01770	0.9
55.01976	0.6
56.58894	0.6
57.03305	1.3
57.03578	1.0
58.00462	0.7
58.00692	0.9
59.00976	1.0
59.01197	20.2
59.97299	0.6
61.98627	6.8
61.98999	9.7
69.03268	0.8
69.03576	0.9
70.27190	1.6
71.01118	6.3
71.01566	11.5
72.99055	1.2
72.99491	1.9
73.02683	2.1
73.03143	3.8
75.01038	0.9
83.01056	1.3
83.01588	1.9
85.02582	2.7
85.03159	6.5
85.99815	1.0
86.00263	1.1
87.01068	2.2
89.02071	1.1
89.02664	3.3
95.01066	0.6
95.01550	1.3
97.02582	0.7
97.03095	1.2
98.20624	0.8
99.01115	2.5
99.04707	0.7
101.01936	2.2
101.02682	7.6
102.99968	0.7
103.00584	1.6
109.03097	0.7
111.01133	3.1
112.01867	0.7
113.01837	1.2
113.02685	5.0
116.93076	0.7
119.03689	1.0
119.04486	0.7
121.02266	1.2
121.03208	6.1
122.03976	1.2
123.04725	1.1
124.01845	0.8
125.02673	1.8
128.03822	0.6
131.03659	0.9
134.04004	6.2
135.04800	4.5
142.04805	0.6
143.03705	1.4
145.03221	3.4
147.04807	0.9
149.05064	1.6
149.06360	8.3
161.04832	2.0
161.06288	0.7
167.06133	1.1
167.07433	2.8
191.00766	0.7
191.02295	2.5
195.30145	0.6
251.07329	1.0
251.13170	0.8
254.03818	0.6
254.06166	2.5
265.08987	0.9
267.06894	1.7
268.07495	1.5
269.08212	3.3
272.93997	0.7
279.10391	0.9
282.09238	2.7
283.10022	2.7
284.10501	7.6
295.09641	4.2
296.10715	1.3
297.11279	11.0
298.12378	1.1
310.12057	3.6
311.13129	2.2
312.10086	1.0
313.10800	7.3
314.11697	1.9
315.12357	0.8
316.09686	0.9
327.12518	2.6
328.13135	19.3
329.13925	10.1
343.15485	22.7
344.16171	1.4
357.13306	4.1
371.15033	1.0
383.42093	0.6
413.16208	1.5
457.14584	3.3
471.16342	0.8
472.17422	3.3
475.16324	1.9
475.97302	0.8
487.19714	100.0
487.32141	3.7
488.20068	5.8
489.17593	0.9
490.18430	3.9
505.20776	85.9
506.20895	6.0
532.19177	1.1
547.21661	51.1
548.21991	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	547.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48240	1.4
52.01496	1.1
57.03436	3.7
59.01379	50.7
60.99311	14.6
61.98823	11.0
70.69310	1.3
71.01378	17.0
71.05015	1.3
71.51639	1.2
72.99312	1.4
73.02943	9.5
75.00874	48.7
75.66823	1.1
85.02982	5.7
87.00868	2.8
88.98808	100.0
89.02447	22.1
97.02982	1.4
99.00883	5.1
99.04521	2.3
101.02451	14.5
103.00372	21.2
103.01057	1.6
113.02450	6.2
119.03549	2.1
119.05029	21.0
125.02447	2.8
130.08771	1.3
131.03477	3.6
131.05029	3.0
134.03728	5.2
139.11293	18.7
147.11768	3.2
149.04553	11.5
149.06064	16.3
159.03014	1.8
161.04533	3.9
163.04005	14.7
171.10321	1.4
177.04062	1.2
181.12341	9.3
183.10262	19.3
191.05624	1.8
199.13359	3.3
212.13370	1.1
225.11285	8.8
243.12358	55.4
244.12575	2.8
285.04065	1.9
285.13458	18.2
286.13919	1.4
287.89120	1.2
299.12982	1.7
315.14377	6.2
345.15512	28.8
346.15854	2.2
381.13843	3.8
405.17661	31.9
406.17987	2.0
482.08536	1.4
503.25168	2.2
517.26288	1.4
529.26428	5.0
547.27826	23.1
548.28589	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66912	0.2
55.01876	0.9
57.03449	1.9
58.00593	1.1
59.01379	100.0
60.01702	0.6
61.98829	20.5
62.98547	0.3
68.65586	0.2
69.03450	0.3
71.01382	19.6
71.05020	0.8
71.08025	0.2
72.01717	0.4
72.99322	1.2
73.02946	5.7
75.00880	0.6
81.03487	0.3
83.01388	3.8
84.02167	0.2
85.02956	7.6
86.00130	0.3
87.00890	1.9
89.02448	9.9
90.02792	0.2
93.03479	0.2
95.01376	2.3
95.01822	0.2
96.86861	0.2
96.95988	0.3
97.02953	0.9
99.00893	2.5
99.04522	0.5
101.02443	15.4
101.31241	0.2
103.00439	0.3
105.05049	0.3
109.06586	0.3
111.00877	1.6
111.08164	0.2
112.01661	0.4
113.02451	10.2
115.04012	0.5
118.56968	0.2
119.03493	3.7
119.04990	0.3
121.02934	0.3
121.10265	0.8
122.06093	0.3
124.01667	0.4
125.02459	1.4
127.11320	0.3
129.01936	0.2
130.01418	0.3
131.03526	0.8
135.11804	0.2
136.60141	0.3
143.03487	1.8
148.25351	0.2
149.04579	0.8
149.13335	0.4
157.08766	0.4
157.12315	1.3
159.03004	1.0
161.04567	4.6
163.04050	0.3
171.10236	0.4
171.13889	2.3
179.05623	1.5
185.15459	0.7
229.42784	0.3
279.23322	0.3
294.56912	0.2
325.27512	2.4
327.28976	0.3
329.19907	0.6
341.26971	0.3
343.28522	5.0
347.20764	0.9
349.27478	0.4
355.28497	0.4
367.28418	3.5
371.24503	0.3
427.30923	0.3
439.30664	0.8
450.14435	0.4
451.30377	0.4
457.31830	0.4
466.89999	0.3
469.31909	0.6
487.32736	46.5
488.33038	3.0
505.33823	19.7
506.34540	1.2
547.17542	0.6
547.35089	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	547.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03451	1.6
57.57741	0.2
58.00597	0.3
58.42425	0.2
59.01381	100.0
60.01720	0.8
61.01818	0.3
61.98832	29.1
67.36181	0.2
68.99828	0.3
69.03464	0.5
71.00554	0.5
71.01382	18.8
71.05048	0.3
72.99318	0.8
73.02951	4.9
75.00886	0.4
80.68300	0.2
81.03471	0.3
83.01387	2.9
85.02952	9.6
86.00103	0.3
86.03284	0.2
87.00883	1.1
87.04520	0.3
89.01900	0.2
89.02442	4.7
95.01391	2.0
97.02966	0.7
98.09872	0.2
99.00880	2.2
100.88334	0.2
101.02447	11.1
103.00371	1.5
111.00896	0.8
112.01703	0.4
112.98564	0.3
113.02455	11.7
119.03526	1.5
121.10262	0.8
124.01656	0.5
125.02451	1.2
127.07659	0.2
127.11245	0.2
141.01997	0.3
143.03496	1.8
149.13420	0.2
157.12367	0.5
159.02988	1.3
161.04561	7.6
169.12303	0.2
171.13907	0.7
179.05626	0.4
185.15498	0.5
205.03577	0.4
239.03539	0.3
297.24414	0.3
310.01303	0.3
311.02286	0.2
315.18320	0.5
317.90805	0.2
319.17493	0.2
325.27487	0.5
327.25369	0.3
329.19833	0.7
333.19183	1.0
338.62970	0.2
343.28442	2.4
347.20676	1.0
371.24362	0.5
401.25269	0.3
427.30469	0.3
451.30579	0.3
457.32138	0.2
469.31631	0.7
487.32733	39.4
488.33051	2.7
505.33844	18.5
506.33997	1.1
515.08533	0.5
547.35529	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	548.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95084	0.3
55.01867	0.5
55.11609	0.3
59.01379	29.2
61.98829	100.0
69.10134	0.3
70.27020	1.1
71.01382	4.3
72.72518	0.3
73.02937	1.6
75.00903	0.3
78.97909	0.4
83.01383	0.6
84.47414	0.3
85.02946	1.9
86.00156	0.3
87.00896	0.5
89.02438	2.3
99.00894	0.3
101.02437	3.4
112.49912	0.3
112.65550	0.3
113.02466	2.2
116.92871	0.4
119.03521	1.0
127.19990	0.3
136.07652	0.3
143.03510	0.5
159.06578	0.5
161.04539	1.5
176.82268	0.3
179.05670	1.0
203.32057	0.3
249.09894	0.4
259.52002	0.3
276.95065	0.3
311.22192	0.7
312.22830	0.9
381.22745	2.2
399.23837	4.4
426.55338	0.3
441.25024	1.1
528.22925	0.4
529.04199	0.3
556.70435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67832	1.1
57.03434	2.8
59.01371	5.9
61.60882	1.1
61.98835	2.1
70.02985	1.5
71.01382	3.9
72.96751	1.0
81.02197	2.5
82.02991	4.9
82.06641	1.3
83.02506	20.7
84.00908	15.8
85.02972	1.1
87.05643	12.5
89.02436	3.3
96.00916	11.7
96.95995	1.5
97.04036	1.3
98.02475	18.8
99.04530	2.4
99.05637	4.4
101.02462	3.0
103.00355	3.1
105.59251	1.4
109.04091	2.2
109.81565	1.1
110.02481	17.8
111.02010	2.3
112.04069	7.2
115.00398	1.3
116.28295	1.2
117.70776	1.2
121.02947	2.6
122.02456	3.6
125.03569	3.9
125.07180	1.4
130.08740	57.0
138.09242	23.3
139.08745	1.6
143.08202	1.3
143.11896	1.6
152.08278	1.2
153.03036	8.8
154.01451	5.5
163.03915	1.2
169.09853	12.1
170.02837	3.8
170.09323	17.1
177.10341	1.7
179.05646	1.9
179.11885	4.1
180.05437	5.5
187.10904	3.1
195.11377	3.4
198.42850	1.1
200.08655	2.1
201.07100	1.8
205.09827	5.5
205.12117	1.1
206.12665	2.5
218.09653	47.1
223.10764	12.7
223.66321	1.3
231.13470	3.6
258.09131	4.6
267.09848	100.0
268.10141	2.4
285.10992	2.2
293.11493	4.5
311.12485	35.5
312.12924	2.2
316.09607	2.4
326.48099	1.1
355.10812	23.8
373.11618	3.7
454.43866	1.2
486.20221	37.6
487.20685	2.4
530.22858	89.8
531.23193	6.4
548.23834	17.4
549.24725	2.1
551.35297	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.3
61.98824	1.4
63.02401	0.7
65.00306	1.6
69.40107	1.9
69.40531	3.0
71.01377	1.1
83.01353	0.7
89.02429	0.7
90.14698	0.7
93.03475	0.7
98.19900	1.2
101.02437	0.8
104.76294	0.6
107.01395	2.6
108.02173	1.6
109.02974	1.4
117.08642	0.7
121.02934	2.1
121.10639	0.7
135.00874	1.5
148.01651	0.9
151.00362	10.8
156.64742	0.7
163.00374	2.6
178.99783	4.7
199.04109	1.1
211.04074	1.8
226.02719	1.6
227.03566	3.6
229.05096	0.8
243.02934	10.6
246.04640	0.6
254.02142	2.1
255.02963	30.8
256.03156	1.2
259.88239	0.7
271.02463	62.1
272.02991	2.9
273.04044	1.5
297.11328	2.4
299.01956	1.9
300.02740	100.0
301.03491	41.4
302.03851	1.5
309.11243	1.2
335.73572	0.7
343.04135	0.7
354.00034	0.7
394.30496	0.7
463.09125	3.1
505.09872	84.5
506.10211	6.1
510.88992	0.7
549.21204	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1244
Annotation	Syringetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03439	0.8
57.92368	0.3
58.67226	0.4
59.01378	4.4
61.98809	0.4
65.00333	1.4
69.25967	2.8
71.01372	1.5
82.00635	0.3
83.01401	0.4
88.98956	0.3
89.02433	0.8
99.04517	0.4
101.02420	1.7
103.00365	0.7
108.61653	0.3
110.00105	5.6
113.02453	0.4
119.04999	0.4
120.99270	0.4
123.00903	0.4
125.02477	0.4
133.02933	0.3
136.98817	1.1
137.69981	0.3
137.99588	1.2
139.00342	0.5
139.11282	0.6
141.99042	0.4
148.01698	2.3
149.99611	0.5
151.00365	0.6
153.05568	2.8
158.03735	0.6
161.02448	0.9
162.03252	0.3
163.04005	4.8
164.98293	4.9
165.99080	11.1
166.99690	0.5
170.03751	0.6
171.04517	1.1
172.01714	0.3
174.03191	0.6
177.99074	1.3
178.99812	1.3
180.11139	0.3
181.01411	0.6
183.10251	1.3
185.02322	0.3
186.03230	1.7
187.03867	0.4
189.01950	0.4
198.03168	0.6
199.03996	0.5
202.02704	4.3
203.03336	0.6
213.02025	0.4
214.02715	3.2
215.03581	1.6
216.00688	0.4
217.01495	0.4
225.11276	0.5
226.02762	0.6
229.01370	0.8
229.05119	0.5
230.02177	8.8
231.02875	0.9
241.01324	0.4
242.02193	4.4
243.02757	1.5
243.12315	3.8
245.04590	0.8
254.02341	0.4
257.00995	0.4
257.04532	1.9
258.01688	20.3
259.02396	3.8
269.00934	0.8
270.01688	8.7
271.02383	1.5
273.04047	3.8
274.04587	0.4
285.00772	0.3
285.04007	6.9
286.01187	26.5
287.01947	20.3
288.02295	0.7
297.00317	0.4
300.02756	0.6
301.03534	19.2
302.04251	11.2
302.17523	0.4
303.04630	0.6
305.08771	0.5
313.97046	0.5
314.00677	10.3
315.01288	1.2
329.03012	100.0
330.03745	43.3
331.03925	1.8
339.26971	0.3
343.08289	0.5
344.05350	39.5
345.06119	87.2
346.06476	3.9
387.07111	0.6
394.51138	0.4
405.17435	0.4
474.86047	0.3
491.05389	0.3
505.09457	0.5
507.11508	0.5
534.09918	2.1
549.12500	52.9
549.29553	1.5
550.12823	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	549.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.0
59.01383	17.9
61.98824	2.1
62.75679	0.9
69.03469	1.7
71.01382	9.4
71.22707	1.6
72.99344	0.8
73.02945	18.7
83.01389	3.7
84.40789	0.8
85.02954	3.9
87.00888	1.7
87.01843	0.8
87.04533	1.6
89.02454	1.1
97.02953	2.0
101.02444	100.0
102.02802	1.0
103.00371	5.0
108.10165	0.9
109.03058	1.0
110.64982	0.8
113.02476	2.7
115.04013	2.1
125.02449	6.1
139.11307	9.3
140.54402	0.8
143.03482	5.1
163.11279	1.6
165.09088	1.0
169.12294	1.6
181.12308	4.0
183.10251	13.7
195.13885	1.7
197.11748	1.3
225.11299	12.4
239.12756	1.1
243.12355	18.6
244.12567	0.9
262.08084	0.8
267.12344	2.6
279.12045	1.0
281.14008	4.0
285.13440	2.8
291.12308	1.7
309.13574	2.2
315.14438	1.0
327.14545	10.2
328.14371	1.0
345.15491	2.7
346.36365	0.9
369.15491	2.1
399.16461	1.7
405.17868	1.1
429.17566	9.6
430.17798	1.6
437.67685	1.0
489.19489	5.3
549.29205	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	549.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76357	0.6
57.03452	20.2
57.16970	0.6
59.01379	30.7
65.98460	0.6
71.01381	3.3
73.02948	3.0
83.01418	0.6
85.02976	1.0
87.20299	0.6
87.66683	0.8
99.04514	10.2
101.02445	6.6
103.00379	0.8
113.02445	1.4
119.15855	0.6
125.02460	6.8
139.11293	22.0
142.63191	0.6
143.03473	1.5
161.04564	5.9
163.11192	0.7
165.09100	1.0
165.99097	0.7
174.03020	0.7
181.12317	11.4
183.10262	27.2
199.13451	3.2
201.80914	0.8
203.05626	2.1
225.11319	10.2
230.02142	1.1
243.12369	100.0
244.12663	4.5
258.01627	1.5
263.07614	1.1
285.13458	1.1
286.01245	2.1
287.02148	0.8
300.02832	1.7
301.03464	1.4
305.08762	22.8
306.09235	1.0
314.00723	1.1
329.03000	7.8
330.03806	1.8
344.05359	3.1
345.06097	5.3
405.17664	16.5
406.17978	0.9
447.18759	6.5
487.22223	2.0
489.10840	0.8
505.09848	0.9
549.12567	4.9
549.21893	21.6
549.29279	1.9
550.13556	0.7
550.22430	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	549.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23978	3.3
59.01381	64.8
60.86495	3.7
61.98832	100.0
71.01377	13.2
71.52877	3.8
73.02948	5.1
81.29565	3.7
83.43893	3.1
85.02963	4.0
89.02448	15.6
99.00896	5.4
101.02457	8.1
112.80571	3.5
113.02480	6.2
114.23690	3.8
132.01210	3.1
136.07678	4.2
140.29358	3.2
149.04538	7.8
167.00116	3.0
168.74757	3.3
173.38370	4.2
177.45236	3.1
192.82974	3.2
369.63898	4.1
445.31610	6.8
458.52325	3.3
489.34320	5.7
513.26984	36.6
549.24670	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96306	0.2
57.03452	1.7
58.00588	0.7
59.01379	11.2
61.98831	1.4
69.33331	1.6
71.01386	4.0
72.99314	0.3
73.02950	0.8
75.00875	0.6
83.17204	0.2
85.02951	0.9
87.00886	0.3
89.02446	1.2
95.01355	0.2
97.06610	0.4
98.20668	0.4
99.00896	0.2
99.04507	0.4
101.02461	1.1
103.00372	100.0
104.00707	0.7
112.98576	0.3
113.02432	0.5
113.09679	0.2
115.00406	0.3
116.92855	0.5
119.05015	0.7
123.08141	1.1
125.02451	0.3
125.09708	0.5
131.03502	0.4
134.04785	0.2
137.09711	0.3
139.11258	0.7
149.04552	0.2
153.12810	0.5
154.43254	0.2
155.10736	0.7
161.04515	0.3
163.04013	0.4
169.12451	0.5
171.10243	0.8
175.02461	0.3
181.12361	0.3
185.11830	2.0
199.13446	0.3
201.14865	0.2
210.18010	0.2
215.12793	0.3
217.14444	0.3
229.14490	0.4
293.95197	0.2
327.21695	0.6
337.23877	0.4
355.24954	1.7
369.26440	0.2
371.24316	0.5
373.25916	20.7
374.26346	1.3
387.27673	1.7
405.21298	0.5
411.15146	0.2
415.26877	1.6
531.31140	0.2
549.28943	21.9
550.29395	1.4
574.79388	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
58.00592	0.7
59.01379	15.3
61.98822	1.7
62.06892	0.5
68.99577	3.6
69.26725	0.4
69.38203	3.1
69.38621	0.7
71.01389	5.0
72.99306	0.7
73.02972	0.8
75.00868	0.8
75.80630	0.4
77.82444	0.5
85.02960	0.9
85.11997	0.5
87.04491	0.4
89.02433	3.5
97.06633	0.5
101.02435	1.8
103.00373	100.0
104.00706	0.9
111.08184	0.5
112.98558	4.8
113.02469	1.0
115.00375	0.5
123.08135	0.9
125.09702	0.7
126.90357	0.7
127.61871	0.4
128.03557	0.5
131.03484	0.6
137.09735	0.7
139.11304	0.8
149.04536	2.0
155.10782	1.0
171.10263	1.8
175.02528	0.4
181.12428	0.8
185.11803	1.3
229.14331	0.8
250.51942	0.4
290.86432	0.4
327.21771	0.6
355.24753	2.0
373.25925	20.5
374.26639	0.9
387.27396	1.2
404.11743	0.5
415.26871	1.5
432.79718	0.5
440.23532	0.4
549.28894	23.6
550.29419	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	549.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52280	1.0
56.83017	1.0
57.03441	2.0
59.01379	100.0
61.98832	30.2
62.88970	1.1
66.67545	1.2
70.81892	2.7
71.01380	9.2
73.02946	3.3
75.00855	1.3
77.18159	1.0
83.01385	1.9
85.02943	5.7
96.96033	2.0
101.02430	6.1
113.02454	2.4
116.92850	1.6
131.33444	1.0
136.07664	2.2
167.69458	1.0
255.02910	1.3
285.81171	1.3
293.09216	2.1
301.27420	1.2
349.01437	1.3
445.31693	19.4
463.32657	12.5
486.16470	3.7
489.33746	2.2
505.33871	2.6
507.34497	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68568	0.7
55.01880	1.3
57.03445	1.0
59.01379	100.0
61.98831	14.9
63.47436	0.7
63.84542	0.7
65.38339	0.7
69.23315	3.8
69.23740	2.5
69.46672	0.6
71.01382	23.8
71.01777	1.1
73.02953	6.6
83.01394	2.4
85.02948	10.4
85.03415	1.1
87.00893	0.9
89.02451	7.2
95.01379	1.4
99.00911	2.7
101.02435	14.8
111.00880	1.2
113.02455	9.3
116.92889	1.1
119.03516	1.7
125.02493	1.2
129.01991	1.0
132.40892	0.7
136.07716	2.8
140.50308	0.7
143.03488	1.3
149.04575	2.0
159.03021	2.8
161.04562	16.5
287.14822	0.7
327.29199	1.0
451.57172	0.7
471.33252	4.4
486.16983	2.0
489.34320	62.8
490.34720	4.4
549.24982	2.4
564.09924	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	33.2
61.98830	100.0
66.46791	1.0
71.01379	3.0
71.52633	1.3
74.68250	1.0
85.02953	1.0
89.02460	2.7
101.02468	1.4
113.02454	1.4
115.52813	1.2
116.26391	1.0
116.92847	1.9
121.86259	1.1
136.07689	1.7
139.11270	6.5
181.12335	3.7
183.10258	5.8
225.11336	1.9
293.09326	1.3
423.67337	1.1
469.24585	1.3
487.25485	69.3
488.26047	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	551.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06152	0.4
54.09462	0.4
57.03463	0.6
58.00585	0.9
59.01380	16.8
61.98822	1.8
70.02962	0.4
71.01001	0.8
71.01376	6.8
71.33059	0.4
71.51097	0.8
72.99286	0.5
73.02953	1.0
74.02473	1.4
75.00868	0.8
78.43784	0.5
85.02951	1.8
87.00874	0.9
87.04524	1.5
89.02438	2.7
94.91546	0.5
95.22029	0.5
98.19949	0.5
101.02447	2.6
103.00372	100.0
104.00682	0.6
104.05042	2.5
113.02438	2.1
115.00340	0.7
119.03473	0.8
119.05048	1.3
126.82805	0.4
129.95795	0.5
130.06644	1.0
131.03470	1.0
134.06137	2.6
135.08157	0.8
137.09734	4.9
148.04063	4.1
155.10782	21.5
160.04021	1.6
163.03952	0.5
167.83798	0.5
169.12369	1.6
174.05618	1.1
181.08766	2.3
199.09756	13.4
200.10071	0.5
203.08266	1.9
208.05281	0.5
213.11348	1.4
241.10823	7.7
245.09317	4.4
267.11478	0.9
271.11844	0.7
295.11078	2.7
313.12744	0.5
331.13995	5.5
375.12976	3.8
447.15042	8.4
475.17300	2.1
489.16107	0.8
507.17212	15.5
508.17401	1.0
519.16180	15.5
520.16553	1.0
551.16125	7.5
561.57831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46463	0.2
55.01883	0.2
57.03450	0.7
58.00595	0.4
59.01382	5.3
68.39178	0.2
69.22013	1.4
71.01385	1.7
73.02944	4.6
75.00882	0.2
75.85564	0.1
83.01389	4.9
85.02954	0.6
87.04529	1.0
93.03455	0.7
97.02973	0.2
98.19936	0.3
99.00890	0.2
99.04533	0.2
101.02446	2.4
103.00395	0.4
107.72169	0.2
109.06603	0.5
111.08197	0.3
119.05029	100.0
120.05375	2.6
123.04581	0.2
125.02421	0.3
125.06103	0.2
127.07643	0.3
137.06035	0.2
139.07649	0.5
139.11298	4.6
151.11284	0.6
161.09688	0.2
163.04012	57.5
164.04367	1.8
165.09200	0.8
167.10803	0.3
169.12358	1.9
179.10796	1.4
181.12346	2.2
183.10252	8.0
184.10619	0.3
195.13924	0.5
197.11807	1.1
199.13307	0.3
205.12360	0.2
207.10413	0.3
221.11813	0.3
225.11319	8.2
226.11668	0.3
231.10211	0.2
239.12875	0.3
243.12366	7.5
244.12668	0.3
247.13304	0.1
249.11284	0.9
263.12903	0.5
267.12335	1.4
270.19620	0.2
285.13403	1.3
291.12363	1.3
295.86322	0.2
309.13403	0.6
327.14474	3.5
328.14597	0.2
328.91321	0.2
334.34506	0.1
369.15710	0.2
387.16599	7.9
388.16916	0.5
392.18903	0.2
491.19354	0.3
519.15997	0.3
533.20233	0.7
551.21320	34.4
552.21753	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
57.03448	1.4
58.00581	0.5
59.01379	6.1
61.98825	0.6
70.33725	0.9
71.01376	2.2
71.64358	0.2
72.99305	0.3
73.02949	5.0
75.00873	0.5
83.01391	5.9
83.01884	0.4
85.02945	0.6
87.04514	1.4
89.02478	0.4
90.42216	0.2
93.03464	0.6
97.02921	0.4
99.04509	0.6
101.02440	3.2
103.00367	0.9
109.06622	0.3
111.08126	0.4
113.02471	0.5
117.03420	0.3
119.05030	100.0
120.05357	2.4
120.68985	0.2
123.04533	0.4
125.02482	0.5
125.06075	0.3
131.34552	0.2
139.07631	0.3
139.11298	4.6
143.03497	0.3
151.11292	0.5
161.04529	0.3
163.04012	81.1
164.04349	2.1
165.09158	0.5
167.10777	0.4
169.12343	1.6
178.43628	0.2
179.10785	1.3
181.12314	2.0
183.10269	8.6
184.10551	0.3
197.11797	1.5
225.11314	9.8
226.11565	0.4
231.10251	0.3
239.12881	0.4
243.12355	10.0
244.12634	0.4
249.11313	1.2
260.61768	0.3
267.12357	1.5
269.27322	0.2
285.13428	1.5
291.12457	1.6
309.13528	0.8
327.14496	5.0
351.15280	0.2
369.15540	0.3
373.25928	0.4
375.27356	0.3
387.16611	10.3
388.17068	0.7
392.17642	0.2
551.21411	19.0
551.30511	1.4
552.21411	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45012	18.6
61.98834	95.2
68.44969	18.3
71.51804	27.7
78.95892	31.8
119.66042	16.5
150.92612	18.4
152.99568	29.2
153.02258	19.3
279.23349	100.0
430.21616	21.2
430.61597	22.8
551.29852	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29353	0.2
57.03448	1.9
58.00579	0.7
59.01379	13.0
61.98829	2.3
66.31400	0.2
69.18720	1.1
69.19145	1.2
71.01386	4.3
72.99311	0.8
73.02946	1.8
75.00870	1.1
83.01382	1.8
85.02953	1.3
87.00877	0.3
87.04528	1.3
89.02447	1.0
93.03465	0.4
95.01377	0.3
97.06579	0.3
98.20701	0.6
98.49617	0.3
99.00912	0.3
99.04543	0.7
101.02451	1.9
103.00371	100.0
103.99823	0.2
104.00724	0.8
109.06615	0.3
113.02448	0.7
119.05025	32.2
120.05370	0.8
123.08154	0.6
125.02452	0.5
139.11310	2.2
141.12869	0.3
153.09200	0.7
157.12299	0.4
163.04007	24.1
164.04327	0.7
169.12294	1.5
171.10228	0.4
179.10738	0.6
181.12366	0.9
183.10263	2.9
185.11807	1.0
187.13326	0.3
190.17294	0.3
197.11966	0.4
215.12811	0.6
216.38280	0.3
225.11305	3.3
243.12338	3.4
267.12473	0.6
270.78592	0.3
285.13416	0.3
291.12363	0.6
311.22144	0.4
327.14420	1.2
329.23279	1.4
339.25592	0.4
357.26413	3.8
365.93567	0.3
373.25848	1.9
375.27496	22.8
376.27734	1.2
387.16599	3.4
387.27426	0.3
388.16913	0.4
389.29181	1.9
417.28546	1.3
533.33203	0.9
551.21594	6.9
551.31018	24.4
552.22870	0.4
552.30664	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	551.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39425	0.4
55.01880	0.5
57.03450	3.7
58.00602	0.4
58.61924	0.3
59.01381	10.4
61.98542	0.5
61.98827	5.1
63.48027	0.3
65.97646	0.3
69.03438	1.6
71.01382	16.1
71.52196	0.6
72.99306	1.7
73.02957	1.8
75.00874	33.7
82.02943	0.4
83.01378	1.4
85.02947	4.2
87.00879	5.0
87.04514	1.4
88.98804	0.6
89.02437	2.7
95.01340	0.4
96.00902	1.9
96.95979	0.6
97.02959	1.8
97.06584	0.8
98.02470	1.2
99.00879	6.0
99.04543	0.6
99.05643	0.7
101.02435	3.5
103.00371	16.2
104.00716	1.5
105.00785	1.0
111.00861	0.9
113.02444	1.7
115.03987	0.4
116.07163	0.9
119.05032	3.3
123.08130	0.7
124.07629	0.7
125.09711	0.7
126.90353	0.7
129.01939	7.5
131.03485	1.5
137.09709	0.4
139.11238	1.0
141.01913	1.3
141.09187	0.6
147.04498	0.4
155.10796	0.8
159.02956	1.5
163.04033	1.9
169.12328	0.5
171.10217	1.2
177.04048	9.6
185.11794	4.8
185.14403	0.4
189.07065	0.6
192.28026	0.4
195.05196	0.5
202.12379	0.9
214.11983	0.4
215.12918	0.6
243.12315	0.5
246.11525	0.5
248.00914	0.4
296.09207	0.9
327.21805	0.5
329.23306	1.2
343.12933	3.4
353.23282	3.2
355.24921	1.3
357.26093	0.4
373.25928	32.7
374.26270	3.1
375.27023	1.7
387.27438	0.9
389.25299	2.3
390.19257	0.5
419.26468	1.5
515.28619	2.6
533.20770	2.8
538.74170	0.4
551.30682	100.0
552.30951	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	551.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87367	0.2
59.01378	13.1
61.98817	0.3
63.22922	0.2
67.06924	0.2
69.22021	2.2
70.16793	0.3
71.01379	2.4
73.02937	0.9
78.95922	0.2
79.49582	0.2
83.01372	0.4
85.02949	0.7
87.00892	0.5
89.02443	2.1
97.98222	0.2
101.02443	3.2
113.02441	1.1
119.03493	0.9
133.05081	0.5
152.99615	0.4
161.04529	0.8
179.05612	0.4
235.08224	2.8
253.09288	13.0
255.23280	100.0
256.23621	4.8
491.32504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95245	0.3
55.01869	0.5
59.01382	11.3
61.90771	0.3
61.98826	0.8
68.58945	0.3
71.01397	1.9
71.40384	0.5
73.02943	0.5
83.01360	0.3
85.02946	0.6
87.00867	0.5
89.02446	2.5
101.02441	2.4
113.02470	0.9
116.63683	0.3
119.03477	0.7
133.05005	0.4
161.04578	1.6
176.56123	0.3
235.08305	2.4
253.09293	11.5
255.23282	100.0
256.23666	4.4
442.39792	0.4
475.08490	0.3
491.32303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
58.00592	0.7
59.01379	43.0
61.98827	6.4
62.82406	0.7
64.22810	0.6
67.95543	0.6
70.43294	0.6
70.93870	1.4
71.01375	2.7
73.02958	3.6
83.01389	0.8
85.02948	1.9
87.04480	0.6
89.02445	1.4
94.98108	1.2
101.02447	6.3
103.00377	3.4
125.02438	0.6
126.52617	0.8
139.11288	25.2
165.09210	1.3
169.12288	0.7
181.12337	15.2
183.10255	38.4
184.10620	1.7
191.99442	0.6
195.13844	0.7
199.13376	4.3
210.60783	0.8
225.11333	14.8
243.12355	97.7
244.12729	3.0
257.13928	2.8
274.44669	0.7
285.13422	34.3
286.13754	1.1
315.14404	9.9
320.39679	0.7
327.14398	0.8
345.15536	45.4
346.15839	2.7
373.25983	0.8
387.16519	1.8
405.17636	100.0
406.18042	5.2
429.17816	0.8
498.86093	0.7
516.20825	1.5
551.30701	1.6
552.31067	2.5
561.48065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.2
59.01374	1.2
61.98831	100.0
62.98530	0.2
71.01394	0.6
71.52159	0.3
71.52547	0.2
73.02934	0.2
75.00861	0.2
76.86514	0.2
83.01388	0.3
85.02945	0.2
87.00944	0.2
89.02466	0.2
91.39957	0.2
99.92607	0.2
101.02453	0.6
103.00378	2.1
104.00741	0.2
113.02449	0.2
119.05063	1.1
120.05358	0.3
163.04036	0.5
164.04471	0.2
183.10219	0.3
225.11314	0.2
227.03455	1.5
243.12381	0.3
255.03012	2.2
256.03653	0.2
284.03259	2.1
285.04187	0.6
293.83063	0.2
373.25952	0.3
375.27560	0.4
376.27771	0.3
489.10400	3.8
489.23599	0.4
527.51324	0.3
551.30841	0.5
552.23730	0.6
552.31128	0.5
552.75366	0.4
553.32544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
61.98832	100.0
66.11493	0.4
71.01394	1.5
78.95905	5.5
96.96968	0.7
101.02462	0.6
102.03478	0.5
106.06616	0.9
108.08186	2.0
116.92896	0.6
121.05336	9.4
122.09774	1.4
132.04562	24.5
134.06129	1.9
136.07683	66.2
137.08014	1.4
148.07613	0.6
149.08421	0.6
150.05617	1.2
150.09233	1.3
152.99593	11.0
153.04347	1.1
154.33150	0.5
158.02458	1.8
160.04053	2.3
162.05602	1.9
164.07195	3.3
166.05043	0.6
176.03542	9.4
177.03954	0.6
181.07420	1.0
182.56384	0.4
190.05092	5.9
191.05873	5.0
213.10254	0.6
217.19411	0.4
227.11890	1.1
236.09502	1.2
237.10362	0.5
239.08266	2.0
251.11789	2.7
265.06210	0.8
265.09668	0.6
268.15643	0.8
279.07721	1.9
279.10825	0.8
280.08530	1.0
281.12897	2.9
293.09198	0.8
295.10913	1.6
296.11703	1.7
297.12448	1.6
307.10764	1.1
309.08972	0.6
309.12512	0.9
325.11917	29.0
326.12189	0.7
327.13550	0.6
339.13443	8.0
340.10190	0.9
340.14209	15.0
340.18265	0.8
341.14429	0.8
372.13239	18.3
372.20453	0.8
373.13452	0.7
388.16586	2.0
400.20242	1.1
429.16953	1.4
444.19220	2.9
465.22342	3.2
476.21921	8.6
477.22580	0.6
488.18210	0.5
508.24478	24.2
508.31985	1.3
509.24945	2.2
520.20947	7.2
521.21301	0.5
552.23492	26.1
553.23584	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	552.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31686	0.3
59.01377	1.0
61.98825	1.3
69.14538	2.3
69.14962	1.0
71.01398	0.4
78.90096	0.3
78.95904	7.3
85.84288	0.4
117.11539	0.3
152.99635	0.9
168.04303	1.3
169.02135	0.4
224.06943	1.0
233.22850	0.5
242.07951	2.7
259.20724	0.4
277.21710	100.0
278.22070	5.1
502.29382	45.9
503.29779	3.6
538.30139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16102	0.8
59.01367	3.3
61.98814	3.4
78.95905	28.6
116.95911	1.2
144.20532	0.9
152.99580	4.5
168.04308	3.1
224.06923	9.9
229.25835	1.3
236.10245	1.0
242.07933	2.6
253.21771	6.6
277.21716	100.0
278.21979	5.5
363.53305	1.1
478.29431	2.5
502.29398	95.1
503.29770	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37087	0.2
59.01374	1.1
61.98830	100.0
66.13058	0.2
68.95513	0.2
68.99565	0.4
70.34373	0.4
70.34738	0.7
71.01411	0.5
78.95917	0.6
89.02448	0.4
95.42741	0.2
101.02454	0.2
102.03518	0.2
108.08208	0.6
112.98579	0.5
115.00444	0.3
116.92844	0.3
121.05324	2.5
122.09804	0.2
132.04558	6.1
134.06129	0.6
136.07684	16.9
137.08038	0.3
148.04099	0.2
149.08485	0.2
150.09268	0.4
152.99590	1.4
158.02490	0.3
160.04037	0.5
161.04544	0.3
162.05678	0.4
164.07222	0.6
176.03549	2.3
181.07358	0.3
190.05089	1.5
191.05859	1.5
220.09868	0.2
239.08292	0.6
251.11829	0.6
265.06259	0.2
279.07755	0.3
280.08475	0.3
281.12955	0.8
289.31244	0.3
293.09518	0.3
295.10852	0.4
296.11777	0.4
297.12292	0.3
307.11008	0.6
309.12323	0.4
313.18045	0.6
316.90176	0.2
325.11914	7.3
326.12103	0.5
327.13330	0.3
331.19250	0.5
339.13553	2.1
340.14258	3.5
341.14798	0.3
372.13263	4.8
388.16666	0.5
429.16785	0.3
444.19299	0.6
461.19690	0.4
465.22726	0.4
476.22040	2.1
477.22366	0.3
488.17896	0.3
508.24448	6.7
509.25400	0.5
520.20856	1.7
552.23517	6.8
553.24084	0.6
567.98047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98828	4.4
71.01380	6.3
73.02963	3.0
83.01417	0.8
85.02949	4.7
87.81325	0.7
88.27010	0.7
99.00903	1.4
101.02437	4.2
113.02467	2.1
116.92894	1.1
136.10344	0.7
161.04564	2.5
244.21806	0.7
249.25713	0.7
287.87744	0.6
467.30161	3.6
509.31458	2.1
511.29138	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.214
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28227	0.5
59.01384	2.9
61.89795	0.5
61.98829	10.9
69.51934	1.0
69.52341	2.6
70.19012	0.6
71.01370	0.8
78.95930	0.6
94.03056	0.6
99.04556	0.7
104.05061	1.7
106.91862	0.5
116.92871	1.7
122.06105	2.3
125.02465	0.7
130.08722	0.6
134.06136	5.8
136.07681	8.5
137.08025	0.7
139.02756	0.6
144.04497	0.6
146.06059	0.7
148.04047	2.6
148.07654	0.6
150.05612	1.3
150.09241	1.2
158.06062	0.8
160.04041	1.7
160.07654	1.4
162.05582	0.7
174.05559	2.2
175.08728	0.8
176.07175	3.7
182.43217	0.5
185.07204	0.7
186.05605	1.2
187.06422	0.8
188.03574	0.9
188.07129	1.4
201.06837	0.6
201.10326	1.7
202.05080	1.9
212.03357	0.5
213.06601	0.6
213.10298	1.1
214.05247	0.6
214.07405	0.8
215.05782	0.9
216.03008	1.6
216.06679	1.5
217.07401	1.0
225.06778	1.0
225.10350	2.0
227.05981	1.0
227.12030	0.7
228.02945	1.4
228.06673	0.9
229.06041	1.0
230.04829	2.6
231.07779	1.0
237.10513	0.8
239.11836	1.6
241.06186	0.9
241.09796	2.3
242.08211	0.7
243.05405	7.8
243.11302	1.1
244.06175	4.7
245.06937	2.5
251.08363	0.8
251.11708	1.0
253.06161	4.5
253.09865	1.3
255.07643	0.7
255.11401	1.2
257.05746	0.8
258.06451	1.7
265.06006	0.8
265.09775	2.2
267.07791	2.0
267.11389	3.3
268.08502	2.1
269.09286	2.1
279.07959	1.1
281.05670	1.9
281.09161	0.9
283.11218	0.7
293.09262	2.8
294.10162	0.7
295.07205	2.3
295.10876	3.7
296.08051	7.7
297.08884	4.6
309.08826	1.2
311.10324	1.4
313.08395	2.0
321.08707	1.1
323.10382	1.9
325.11829	0.8
327.09918	2.2
328.10596	1.1
339.09695	1.0
340.07065	0.8
354.12244	0.6
356.25391	0.7
360.13745	0.8
386.14661	1.0
389.13846	0.7
400.16779	2.4
403.15674	1.4
404.16031	0.7
410.15076	0.9
418.17648	4.6
428.16132	4.8
431.14557	1.2
446.17233	21.2
447.17599	1.6
460.19077	1.6
478.19827	100.0
479.20029	7.6
490.16193	7.8
522.18787	30.6
523.19202	2.2
554.21277	7.0
555.26312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.3
61.98829	15.0
70.24012	0.7
71.01360	1.6
77.94215	0.8
89.02497	0.9
99.92614	0.9
104.05122	1.1
104.79856	0.8
108.23319	0.8
116.92870	4.0
122.06120	3.0
134.06116	5.7
136.07698	7.7
137.02448	2.1
146.06061	1.4
148.04042	2.5
148.07735	0.9
150.05663	0.9
160.04004	1.3
160.07773	1.3
161.04678	1.4
162.05630	2.1
174.05630	3.0
175.06242	0.8
176.07133	3.6
186.05548	1.2
188.03633	1.3
188.07164	2.7
188.37123	0.9
192.06606	1.0
195.09164	0.8
201.10301	1.6
202.05167	1.3
213.10367	1.6
214.05292	1.3
216.03053	1.6
216.06552	1.5
216.08960	0.9
217.07402	1.5
223.08833	0.9
225.06738	1.5
225.10252	1.8
228.03084	1.3
229.06281	1.3
230.04538	2.6
231.07777	1.8
237.10173	1.1
239.11833	1.3
243.05470	5.7
243.11449	1.3
244.06168	5.5
245.06915	3.0
253.06206	4.4
253.09753	1.9
255.11353	1.9
257.05679	1.2
258.06546	1.3
259.07428	1.1
265.06357	1.1
265.09796	2.4
267.07785	3.4
267.11459	4.1
268.08493	2.9
269.09286	2.2
281.05627	1.8
281.09106	1.0
293.09384	3.5
294.06937	1.4
294.10199	1.4
295.07260	3.4
295.10919	4.1
296.08008	7.8
297.08795	3.7
309.08694	2.0
309.12143	1.0
313.08273	2.4
322.09717	1.3
323.10406	3.6
325.11957	1.0
327.09937	1.5
328.10767	1.2
339.13409	2.3
353.11380	1.3
400.16501	3.5
403.15887	1.9
404.16159	1.3
410.15228	1.3
418.17957	4.9
428.16229	5.6
446.17194	32.3
447.17657	2.8
478.19839	100.0
479.20267	8.1
490.16214	17.6
491.16751	1.5
518.23804	1.1
522.18823	24.4
523.19147	2.6
554.21362	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	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98835	0.5
63.51456	0.2
65.25333	0.2
70.26089	0.7
76.23164	0.2
78.95896	5.3
88.45628	0.2
97.45901	0.2
99.91618	0.2
120.87646	0.2
131.27171	0.2
141.29437	0.2
152.99590	0.9
154.16948	0.2
168.04321	1.5
224.06891	0.9
242.07979	2.3
261.22321	0.6
279.23273	100.0
280.23624	4.7
504.30954	38.3
505.31244	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	554.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
61.98824	1.7
71.51807	0.6
72.23645	0.5
74.23940	0.4
78.95903	22.5
91.79782	0.5
116.99133	0.4
152.99556	3.3
168.04280	3.5
188.62672	0.4
224.06898	8.4
242.07932	1.8
279.23276	100.0
280.23697	4.1
348.74222	0.6
504.30945	82.1
505.31241	5.1
554.29248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16609	0.2
61.98830	100.0
69.83768	0.2
71.01391	0.8
78.98598	0.7
79.95747	1.1
80.96515	6.4
94.98077	1.8
106.98100	0.2
125.02464	0.3
134.97595	0.3
148.99138	0.6
152.98645	0.4
164.98647	1.1
225.00752	1.8
255.23265	0.5
256.23724	0.7
257.23984	0.4
299.04559	0.4
302.70718	0.2
555.28418	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29332	0.2
59.01381	21.6
62.61044	0.3
71.40823	0.3
78.95904	17.8
80.96507	0.3
83.61889	0.2
152.99583	3.0
162.20531	0.2
168.04323	3.3
180.33617	0.2
221.78442	0.3
224.06941	7.7
242.08026	1.7
255.23280	100.0
256.23602	4.2
360.63721	0.2
480.30930	73.5
481.31277	4.8
495.27097	0.4
554.27405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97543	0.4
57.03459	2.2
58.00593	0.7
59.01380	12.0
61.98835	1.8
69.40968	2.0
69.41405	2.0
71.01378	4.0
72.99349	0.5
73.02941	6.3
75.00864	0.6
83.01382	7.2
85.02957	1.5
87.04521	1.3
89.02444	1.1
95.05046	0.5
96.96022	2.2
99.04523	1.4
101.02447	4.5
108.02171	29.5
113.02462	0.8
116.92867	1.0
122.03709	0.8
123.04529	12.5
125.02430	0.9
139.07643	0.5
139.11293	7.1
151.11203	0.7
152.01151	67.7
153.01530	1.6
161.04482	0.9
165.09166	0.7
167.03490	100.0
168.03845	1.9
169.12338	2.7
173.25240	0.6
179.10765	2.2
181.12337	2.3
183.10249	12.8
197.11795	2.0
217.56760	0.5
225.11333	12.6
231.10057	0.7
239.12778	0.7
243.12354	15.1
244.12669	0.8
249.11304	1.4
263.12952	0.5
267.12372	2.7
285.03989	1.2
285.13364	2.0
291.12442	2.5
327.14462	7.4
333.20636	3.5
363.83365	0.6
387.16562	14.0
388.17160	0.7
452.62982	0.7
555.20874	12.2
555.28870	1.4
556.20752	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2079
Annotation	Amritoside A
Peak:m/z	Relative Intensity
51.84166	0.6
57.03433	1.3
59.01381	26.0
61.98819	0.9
69.32042	4.4
71.01392	5.3
71.05038	0.6
73.02948	5.9
83.01390	6.1
83.05020	1.4
85.02947	3.6
87.04502	1.5
90.52231	0.5
93.03448	1.8
93.78802	0.7
95.01373	0.8
95.05020	1.5
97.02932	1.1
97.06540	0.7
99.04517	4.2
101.02438	3.5
108.02176	10.4
109.02951	9.4
109.06562	0.7
113.02437	1.6
121.02918	2.0
122.03739	34.5
123.04527	66.5
124.04833	1.5
125.02441	1.8
127.04042	0.8
136.78389	0.5
137.02449	5.9
137.06078	0.9
139.11293	23.1
141.43317	0.6
149.02460	1.8
149.06061	1.8
151.00333	2.0
154.20882	0.7
157.39644	0.6
161.04518	0.6
163.11246	1.7
164.97664	0.6
165.05525	0.6
165.09242	1.4
167.10753	0.9
169.01427	1.5
169.12317	1.9
179.10704	1.5
181.12325	6.1
183.10251	35.9
184.10600	1.3
195.13953	0.7
197.11757	0.5
199.13498	0.6
202.50380	0.5
225.11313	8.5
226.11603	0.7
231.10150	0.7
243.12415	3.8
249.11232	0.9
261.90820	0.5
267.12262	1.3
279.53159	0.5
291.12570	0.9
309.13449	0.8
327.14496	1.4
387.16058	0.7
469.67136	0.5
493.20853	4.0
511.21841	37.3
512.22119	2.7
537.19617	5.4
555.20776	100.0
556.21198	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	555.284
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
52.34200	0.3
55.01904	0.3
59.01380	0.7
63.96224	0.9
68.03107	0.3
69.03460	0.6
71.01376	6.9
71.27428	0.6
73.02953	1.6
78.98592	5.0
79.95737	8.7
80.31117	0.3
80.60059	0.3
80.96515	60.7
81.03457	0.8
83.19569	0.3
85.02951	2.5
87.00883	2.5
94.98083	14.5
96.96032	1.4
97.02947	1.4
99.00887	0.7
99.04565	0.3
100.05524	0.3
101.02437	1.9
106.98079	2.8
122.97581	2.4
125.02438	2.2
127.04016	0.9
127.37292	0.3
134.97575	4.0
136.99113	1.8
148.99133	5.4
152.98630	5.3
164.98618	11.3
188.98573	0.3
190.16644	0.3
194.47368	0.3
203.02963	0.3
206.99683	2.6
208.19023	0.3
225.00737	15.8
255.23289	2.6
299.04465	3.4
553.46606	0.3
554.37109	0.3
555.28394	100.0
556.19843	0.4
556.28693	8.3
556.36511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24739	0.4
58.02975	3.3
58.95187	0.5
59.01369	1.0
60.99300	0.6
61.98821	1.0
66.03476	0.8
69.65134	2.4
72.00906	0.5
73.04069	11.7
74.02465	5.5
80.05050	1.2
85.04087	0.5
92.46113	0.5
97.04084	3.1
98.02511	1.2
99.05620	1.7
104.03519	1.4
106.22530	0.5
111.05634	1.1
113.07220	0.6
114.05605	6.3
115.05132	23.6
125.07177	2.4
126.42258	0.5
127.05120	1.2
127.08768	10.7
128.09111	0.5
129.10315	1.9
130.08759	1.4
139.08762	23.8
140.07179	4.0
140.09181	0.5
140.37631	0.5
141.10349	2.7
143.11874	0.7
145.06206	0.9
152.07126	1.4
153.06604	0.6
153.10329	0.6
155.08240	1.3
157.09787	2.1
158.45341	0.5
167.04518	0.6
167.11832	0.9
168.11406	1.8
169.09801	0.8
171.07750	38.0
172.08073	0.6
181.09753	0.9
183.11374	1.4
186.12450	1.7
194.12869	0.5
195.11372	1.0
195.15082	0.7
197.16582	0.9
201.08818	6.7
207.14848	0.5
209.12952	3.4
210.12442	4.7
211.10919	0.9
213.91992	0.5
225.16032	3.4
228.13472	3.1
238.19289	1.4
242.18605	0.7
252.17120	0.8
280.20236	2.2
281.20450	0.5
284.16312	0.8
342.20135	0.9
345.23566	0.6
353.25540	1.6
397.24832	0.8
452.28799	1.2
464.28799	2.4
469.26584	1.0
482.29599	0.7
493.40170	0.5
496.27664	6.5
508.27591	2.9
526.28851	11.9
527.28998	1.0
538.28540	3.6
556.29828	100.0
557.30121	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	556.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
58.02964	3.5
59.01370	3.1
60.37106	0.8
61.86757	0.8
61.98821	2.6
66.03509	0.8
71.01379	1.1
71.52469	0.9
73.04068	10.9
74.02464	5.6
77.81825	0.8
83.01391	1.9
85.04056	0.8
90.52014	0.7
93.25533	0.7
97.04050	3.1
98.02488	1.6
99.05653	0.8
104.03571	0.7
107.01379	1.2
107.99532	0.8
114.05611	6.3
115.05135	22.8
125.02451	6.2
125.07214	1.7
126.02795	1.8
127.05109	0.8
127.08782	11.6
129.10356	1.1
130.08707	1.5
139.07732	1.3
139.08772	17.7
140.07210	3.7
141.10303	1.9
141.84959	1.0
151.00371	6.2
152.00711	2.6
152.07170	1.6
153.10307	1.3
155.08220	1.3
155.11922	0.8
157.09825	2.6
167.11888	1.1
168.11316	1.0
169.01419	3.1
170.01782	1.5
170.26285	0.8
171.06268	1.5
171.07745	27.5
186.12399	1.0
197.16524	1.0
201.08791	5.0
208.13481	0.9
209.12958	3.3
210.12427	3.7
225.16052	2.4
228.13564	3.4
238.19308	1.6
252.16727	0.9
268.20389	0.9
280.20309	2.4
399.77548	0.9
433.91470	0.9
464.28674	1.6
469.26468	1.3
496.27832	6.8
508.27771	2.5
526.28815	12.7
538.28656	3.2
556.17548	9.7
556.29846	100.0
557.17700	1.3
557.30115	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	557.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77097	0.3
54.76736	0.3
57.03448	6.1
59.01378	1.4
63.02394	0.7
65.00324	7.1
68.99790	0.3
70.79986	0.8
73.02935	0.4
81.03452	1.1
83.01383	8.2
83.38486	0.3
93.26820	0.2
97.02982	0.6
107.01389	15.1
109.02889	0.3
121.02991	0.4
124.01644	1.7
125.02446	45.6
126.02824	0.6
126.94875	0.3
131.01387	0.4
135.53911	0.3
137.02431	0.3
139.04005	0.4
139.11270	0.7
145.59502	0.2
149.02451	0.9
149.99622	0.4
151.00365	100.0
152.00719	2.2
165.01956	0.4
167.03488	1.2
168.00589	1.8
169.01416	78.2
170.01759	1.5
175.00349	3.0
176.97177	0.3
182.58948	0.3
183.10303	0.7
193.01385	3.3
205.01393	0.5
211.02480	0.6
217.01546	0.4
225.11243	0.5
235.02391	0.3
243.12354	0.7
269.04788	0.2
313.05737	0.3
387.16425	0.7
495.18494	1.0
497.16531	1.1
513.19775	2.2
514.19647	0.3
539.17609	0.6
553.30670	0.3
557.18689	77.0
558.18964	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	557.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.7
59.01379	1.3
63.02367	0.8
65.00323	9.1
68.24228	0.7
68.67094	0.9
69.29589	7.2
75.99635	0.8
81.03465	1.9
83.01384	8.2
98.19813	1.5
107.01387	14.0
108.28188	0.8
122.75769	1.0
124.01638	1.5
125.02443	43.9
126.02771	1.4
137.05981	0.8
151.00365	100.0
152.00671	2.1
167.03426	1.0
168.00578	1.9
169.01418	82.0
170.01761	1.8
171.25317	0.8
175.00351	2.7
184.64661	0.7
189.15736	0.9
193.01442	4.4
211.02419	1.0
235.02501	0.9
336.87399	1.1
495.18225	1.6
513.19928	2.0
557.18695	80.0
558.18866	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
59.01379	2.1
61.98841	0.7
65.82123	0.2
67.01895	0.3
69.03465	1.1
69.41605	0.3
69.42009	1.2
71.01386	0.5
72.99348	0.2
73.02954	0.8
79.01868	0.5
81.03452	0.8
83.01400	1.0
89.02434	0.3
93.03463	0.4
94.02989	0.2
95.01367	0.2
96.96004	0.3
97.02386	0.3
97.02940	1.3
98.20671	0.4
99.04529	0.6
101.02451	0.7
107.01391	0.7
108.02195	0.6
113.02436	0.3
123.00858	0.2
123.04516	0.4
124.01692	0.4
125.02445	56.1
126.02789	1.2
137.02438	0.5
139.11285	0.6
151.00371	2.3
152.01126	0.9
153.01468	0.3
154.01726	0.2
167.03496	1.4
168.00623	0.2
168.03856	0.6
169.01416	100.0
170.01749	2.2
181.12381	0.2
183.10275	0.9
198.68660	0.2
225.11330	0.8
243.12337	1.2
267.12445	0.3
285.13339	0.3
327.14526	0.6
387.16537	3.3
388.17014	0.2
389.17032	0.2
557.18677	11.8
558.19104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44598	0.2
57.03450	0.7
59.01374	2.3
59.34996	0.2
61.98828	0.6
62.79986	0.2
67.01873	0.3
69.03452	1.6
71.01392	0.5
71.52244	0.3
73.02951	0.6
79.01897	0.5
81.03455	0.6
83.01392	1.1
89.02485	0.2
93.03459	0.4
95.01375	0.4
97.02948	1.7
99.04535	0.5
101.02447	0.8
107.01443	0.8
108.02184	0.6
113.02459	0.3
115.45552	0.2
116.92870	0.2
119.75258	0.2
123.04457	0.3
124.01642	0.6
125.02448	59.2
126.02763	1.1
130.18178	0.2
137.02463	0.4
139.11308	0.6
151.00377	2.5
151.91940	0.2
152.01175	1.1
153.01501	0.4
154.01656	0.3
161.04541	0.2
167.03514	1.4
168.00699	0.2
168.03784	0.8
169.01424	100.0
170.01770	2.5
174.32903	0.2
179.14372	0.3
181.12309	0.2
183.10271	0.7
225.11220	0.8
243.12376	1.3
259.79913	0.2
267.12244	0.2
285.13419	0.3
327.14523	0.9
330.42786	0.2
362.47049	0.2
387.16544	3.5
388.16962	0.2
389.17102	0.3
444.94791	0.2
518.67346	0.2
557.18683	12.0
558.18890	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2965
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
57.03436	2.5
58.46639	0.8
59.01380	73.5
59.48507	0.9
61.98829	9.5
62.99614	0.8
69.44972	6.1
71.01379	8.2
73.02938	4.7
75.00881	1.0
83.01385	1.7
85.02940	2.5
89.02449	4.2
99.04504	1.6
101.02426	5.6
103.00391	1.9
113.02442	3.6
116.92851	1.6
119.03448	1.1
125.02366	1.2
134.89484	1.4
136.07649	1.8
137.09723	1.4
137.53819	0.9
139.11293	13.9
181.12343	4.1
183.10255	13.0
225.11255	3.4
233.85530	0.9
240.15933	0.8
243.12315	1.8
335.22281	8.7
353.23187	1.7
482.27292	1.0
495.22263	1.6
513.27283	2.5
515.29022	1.0
539.28619	3.0
557.29633	100.0
558.29919	8.2
581.32031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
58.46639	0.8
59.01380	73.5
59.48507	0.9
61.98829	9.5
62.99614	0.8
69.44972	6.1
71.01379	8.2
73.02938	4.7
75.00881	1.0
83.01385	1.7
85.02940	2.5
89.02449	4.2
99.04504	1.6
101.02426	5.6
103.00391	1.9
113.02442	3.6
116.92851	1.6
119.03448	1.1
125.02366	1.2
134.89484	1.4
136.07649	1.8
137.09723	1.4
137.53819	0.9
139.11293	13.9
181.12343	4.1
183.10255	13.0
225.11255	3.4
233.85530	0.9
240.15933	0.8
243.12315	1.8
335.22281	8.7
353.23187	1.7
482.27292	1.0
495.22263	1.6
513.27283	2.5
515.29022	1.0
539.28619	3.0
557.29633	100.0
558.29919	8.2
581.32031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04668	0.1
59.01372	0.3
60.30042	0.1
61.98830	100.0
62.32677	0.1
69.26654	1.0
76.31136	0.1
78.95885	0.5
81.47501	0.1
92.90617	0.1
97.64363	0.1
113.33435	0.1
152.99648	0.4
232.65524	0.1
255.23288	1.6
256.23755	0.4
257.24048	0.2
258.24103	0.1
480.31070	1.2
481.31488	0.1
482.31903	0.2
483.31897	0.5
483.66422	0.1
557.32593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03574	0.2
59.01388	0.3
59.34214	0.2
61.98827	0.7
68.99805	0.5
71.30843	0.2
75.63148	0.3
78.95904	0.5
87.00877	0.3
93.03461	3.0
96.96023	0.4
97.96650	0.2
115.00355	0.3
121.02953	17.7
122.03278	0.3
132.80090	0.2
149.52985	0.2
157.29996	0.3
165.01924	100.0
166.02283	2.0
175.02524	0.6
219.79468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83459	0.3
59.01377	0.7
61.98837	0.7
62.24897	0.2
67.01889	0.3
68.29864	0.3
70.25294	0.2
71.51450	0.3
75.00871	0.3
78.01199	0.3
78.95897	1.4
79.01897	0.4
87.00893	0.5
93.03450	2.9
95.01383	0.5
96.96011	0.4
102.07917	0.3
103.00381	0.5
103.69146	0.2
105.62597	0.2
115.00349	0.3
121.02954	18.3
122.03301	0.3
150.32512	0.3
165.01927	100.0
166.02264	1.9
175.02467	0.8
209.99402	0.3
212.27086	0.3
399.47086	0.3
403.32611	0.3
429.69894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08522	1.9
59.01376	9.1
61.98831	100.0
63.67290	2.3
68.57278	2.0
69.02036	1.8
72.36081	1.9
76.09641	2.0
80.09330	1.8
109.82351	2.0
155.03531	2.4
164.88055	2.1
384.93338	2.4
434.98038	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	559.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23804	0.3
57.03451	4.5
59.01114	0.7
59.01381	9.0
60.99304	14.9
61.98829	5.5
62.27937	0.4
63.86475	0.4
65.56519	0.4
67.49480	0.4
70.33172	0.4
70.64378	1.2
71.01389	2.4
73.02932	1.0
74.08379	0.4
85.02957	1.0
88.98805	100.0
89.02448	1.3
89.99143	0.6
99.00868	0.5
99.04514	4.7
101.02444	2.9
113.02457	1.5
115.51669	0.4
117.13855	0.4
118.93404	0.4
119.03477	0.7
125.02441	1.9
143.03484	0.5
148.05304	2.2
148.90912	0.5
155.03677	0.4
161.04591	1.1
163.07649	4.1
202.61212	0.4
285.03760	0.4
397.22665	0.5
410.77667	0.4
415.23264	0.5
469.17148	1.4
473.76376	0.4
499.29132	1.5
559.31421	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	559.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45141	0.6
57.03388	22.1
57.03701	1.7
59.01318	42.2
59.01647	3.5
61.98769	12.6
61.99124	0.9
69.03394	1.8
70.77731	1.3
70.78103	0.9
71.01379	16.4
71.04971	0.9
72.99264	1.3
73.02943	6.1
75.00840	1.6
81.03413	0.7
83.01307	2.4
83.05000	0.7
85.02956	5.4
85.06591	10.3
87.00823	1.4
89.02443	6.6
95.01347	1.3
97.02904	0.9
97.06571	1.2
99.00837	1.5
99.04459	1.6
101.02453	9.9
101.09644	0.9
103.00375	23.5
109.06538	0.8
111.08127	0.8
113.02452	7.3
119.03417	1.7
121.02905	0.6
123.38256	0.7
125.02370	1.4
125.06087	4.3
125.09740	0.6
127.84119	0.7
129.09221	12.3
137.09691	0.9
143.03400	1.0
143.10776	19.8
149.06033	0.9
167.14404	5.7
171.10219	1.1
175.02357	0.8
181.15994	9.3
187.13367	0.7
209.15430	1.7
209.19011	0.9
211.17001	0.8
225.11288	1.1
235.20583	2.6
267.23273	9.8
268.23218	0.8
311.25900	9.8
337.23856	2.2
339.25690	1.0
355.24884	100.0
356.25293	5.2
379.24884	10.7
383.24484	4.0
397.26007	1.9
463.22696	2.6
463.72711	1.2
496.26340	1.0
499.29346	2.5
515.28680	2.1
517.30164	1.9
541.27844	0.8
559.31348	55.9
560.31439	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	559.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79787	0.2
55.01871	1.4
57.03448	10.6
58.00597	0.9
59.01378	84.2
60.01716	0.6
61.01810	0.2
61.98829	3.2
64.88207	0.2
67.65118	0.2
68.99824	0.3
69.03465	0.6
71.01381	26.6
71.05032	0.6
71.51775	0.2
72.01708	0.3
72.99310	1.4
73.02946	8.9
75.00887	0.8
81.03455	0.4
83.01379	4.4
83.05024	0.3
84.02203	0.3
85.02951	12.8
85.06599	0.6
86.00095	0.7
87.00893	1.5
87.04492	0.2
88.98812	0.4
89.02446	6.2
95.01382	3.1
96.96021	0.8
97.02959	0.6
97.06603	0.3
99.00885	3.1
99.04515	7.0
99.92545	0.2
101.02441	17.5
102.02810	0.2
106.60217	0.2
111.00910	0.7
111.32487	0.2
113.02449	10.5
113.09727	0.2
115.92106	0.3
116.92886	0.8
119.03502	2.2
123.04578	0.2
125.02451	3.6
131.03499	0.6
143.03493	1.0
149.04488	0.2
159.02995	1.1
161.04549	3.3
179.05650	0.7
207.83160	0.2
211.17012	0.7
253.05046	7.2
254.05367	0.6
256.03128	0.2
293.24759	0.4
311.25925	1.6
319.22760	1.2
320.31467	0.2
323.18671	0.4
337.23764	1.2
355.24918	0.4
397.22308	1.4
397.26581	0.3
415.23254	3.8
455.30219	1.4
457.24216	0.4
473.31122	6.0
474.31024	0.2
481.27936	1.9
482.28165	0.3
499.29150	4.1
500.29337	0.2
517.30072	1.4
541.30237	1.7
559.31219	100.0
560.31561	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	560.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60061	0.8
57.00875	1.0
57.03440	3.3
59.01379	89.2
61.48775	0.8
61.98819	3.4
62.00246	0.8
66.89091	0.8
67.40269	0.9
69.03439	3.6
69.23962	7.3
71.01013	1.4
71.01388	22.5
72.99305	1.7
73.02947	41.2
75.00864	1.5
83.01388	21.2
85.02947	8.3
87.00887	2.7
87.04529	1.7
89.02453	5.5
95.01390	1.1
97.02937	2.5
97.06568	2.3
98.20683	1.7
98.38583	0.9
99.00903	1.7
99.04530	3.8
101.02444	100.0
102.02753	1.1
103.00337	1.1
113.01711	1.5
113.02436	13.9
115.04023	1.5
119.03523	1.8
124.10489	1.0
125.02438	7.9
131.03476	2.5
136.01634	1.1
143.03523	9.5
149.09654	1.1
151.03937	1.0
161.04541	3.5
165.12860	1.8
167.10770	4.9
177.03835	0.8
179.05623	1.0
207.13866	6.0
209.11807	8.5
225.14932	18.2
227.12878	57.6
228.13176	2.4
249.72128	0.9
251.12822	2.7
269.13928	20.9
283.15530	1.3
287.14990	59.1
288.15381	2.8
293.13766	1.8
306.98080	0.9
311.14984	6.1
323.14926	1.1
325.16544	5.1
329.15912	5.6
333.17142	1.0
335.14862	1.9
341.15845	1.4
343.17447	1.1
353.15918	4.5
359.16901	2.8
371.17075	20.9
389.18103	5.4
395.16815	1.6
413.18021	3.3
431.19174	1.2
443.18729	1.3
449.20123	6.0
473.20337	10.2
533.22363	12.4
560.23535	14.7
561.24750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.8
55.28804	0.8
57.03445	3.1
59.01380	28.0
60.99307	15.9
61.98827	15.1
69.18903	2.9
69.19324	4.9
71.01379	10.3
72.99298	0.9
73.02950	6.1
75.00854	1.2
83.01389	2.7
85.02954	3.2
87.00881	2.0
88.00404	1.2
88.98805	100.0
89.02441	22.8
95.01389	1.0
96.96014	1.5
99.00914	1.3
99.04542	2.7
99.92572	1.5
101.02441	13.0
102.02779	1.7
103.00371	5.3
113.02450	4.9
114.02740	0.9
116.92852	3.8
119.03497	2.1
125.02425	1.9
143.03514	1.6
146.33772	0.9
146.47000	0.8
149.04544	3.1
151.04010	1.1
153.05597	1.7
161.04582	1.6
163.03867	0.8
171.10266	7.0
191.05600	1.0
195.17084	0.8
209.11781	1.7
222.61194	0.7
226.15323	0.9
227.12848	2.9
228.13232	2.2
231.80981	0.9
242.02054	1.1
255.02971	1.4
269.13898	1.1
270.01941	1.2
270.14352	1.2
283.02505	1.0
283.10779	1.0
284.03311	1.1
285.03958	2.3
287.14960	2.8
288.15311	3.5
300.02707	1.9
306.07556	0.9
312.02765	1.8
313.03415	5.4
314.04019	1.8
315.05023	3.2
327.05096	1.9
356.05389	2.4
357.06061	2.9
357.13379	1.4
372.17572	1.4
417.21356	1.3
501.30679	4.4
519.31238	1.1
561.12933	4.5
561.24438	3.0
561.31079	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	561.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54784	0.9
57.03446	14.4
58.00584	2.6
59.01377	100.0
61.98831	28.9
68.95053	0.9
68.99566	1.0
69.03440	1.2
69.16917	3.1
69.17337	6.8
71.01381	49.4
71.05009	1.5
72.99312	3.3
73.02943	16.0
75.04492	1.0
76.91081	1.0
83.01379	3.0
83.05025	1.2
85.02947	11.0
87.00872	1.1
88.46249	1.0
88.98788	1.3
89.02444	86.3
90.02791	1.0
92.34142	1.0
95.01373	1.2
97.02943	1.6
97.06565	1.5
99.00877	21.0
99.04519	19.7
101.02442	47.7
109.06573	2.6
112.98571	1.3
113.02448	13.5
115.72467	1.0
116.92867	2.2
119.03513	7.1
121.02950	1.2
125.02441	7.6
131.03494	12.4
133.80656	0.9
134.03767	1.5
135.04500	1.3
137.02432	2.1
139.73096	1.0
141.84448	0.9
143.03494	6.6
149.04553	66.1
161.04539	8.5
171.10277	5.8
179.05620	2.2
191.05608	13.0
197.11801	5.0
209.11800	9.1
211.13390	4.2
221.06651	10.4
225.05559	1.2
235.13185	1.7
251.07668	9.8
253.05121	1.9
253.09288	7.4
289.17993	1.4
293.08777	4.3
307.19177	3.2
311.09897	6.9
313.03415	1.6
325.20126	13.1
357.26477	1.6
385.89938	1.1
399.23679	2.7
410.06827	1.0
417.24792	3.9
459.25684	3.1
483.29807	2.0
490.53842	1.2
501.23279	2.2
501.30536	18.7
519.31714	6.5
543.28662	1.0
559.93073	1.0
561.31140	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	561.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85917	0.6
55.01871	1.4
57.03449	37.7
58.00603	0.8
59.01380	100.0
60.01741	0.6
61.98830	30.6
69.03474	0.7
71.01384	30.3
71.05020	0.6
72.01704	0.7
72.99319	1.9
73.02945	8.5
75.00903	0.9
81.03474	1.4
83.01379	4.9
85.02952	11.5
87.00877	2.7
87.04517	1.3
88.98827	0.9
89.02444	18.4
93.03463	1.3
95.01408	2.4
95.88517	0.6
97.02988	0.7
97.06651	1.1
98.20667	1.2
99.00884	4.2
99.04521	48.8
100.04863	0.8
101.02442	33.3
101.06068	0.7
103.00393	1.8
107.02400	0.6
109.06607	1.3
111.00910	0.6
112.98611	1.1
113.02448	12.1
113.03170	1.1
119.03526	6.8
122.24543	0.6
125.02451	22.4
126.02772	0.8
127.84038	0.6
131.03557	1.9
137.02483	2.3
143.03497	4.3
149.04530	6.9
151.37726	0.6
153.13011	0.7
157.12384	0.6
159.02992	0.7
161.04575	6.4
163.11411	0.5
171.10251	5.4
171.11430	0.5
173.02455	0.8
178.99730	0.6
179.05640	2.9
181.12418	1.0
191.05612	0.7
197.11908	1.5
199.13406	0.8
199.38072	0.7
206.99915	0.9
211.13470	1.4
239.03424	0.6
243.12267	0.7
251.07707	0.9
253.09190	2.8
255.03093	2.1
285.04184	1.3
312.02811	4.0
313.03439	4.0
314.04041	0.8
325.20166	7.2
339.25620	2.1
357.26620	2.2
381.26758	1.1
399.23776	7.0
400.24561	0.7
405.87265	0.7
417.24960	13.9
417.29907	1.1
418.25269	0.8
430.92371	0.6
432.62433	0.9
459.26376	4.7
483.29709	1.2
494.19730	0.7
499.28693	1.2
501.30664	32.4
502.31323	2.4
517.09918	3.8
517.30463	0.9
518.10553	0.7
519.31610	9.2
519.38708	0.6
520.32733	1.0
543.31824	0.8
561.29193	11.3
562.29706	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35246	0.6
54.82003	0.8
55.01900	0.9
57.03447	86.7
58.00594	1.5
58.03788	0.9
59.01379	100.0
61.31789	0.6
61.70978	0.7
61.98831	14.3
66.45254	0.7
68.99575	3.7
69.03452	0.9
69.25246	6.5
71.01379	28.6
72.99327	1.6
73.02944	7.4
81.03451	1.4
83.01386	3.5
85.02946	6.7
86.49997	0.8
87.00878	2.4
89.02442	24.2
95.01389	2.9
97.17457	0.7
99.00890	0.8
99.04519	68.7
100.04846	1.1
101.02438	34.9
103.00401	0.9
104.23219	0.7
107.01350	0.7
107.45168	0.7
112.80907	0.8
112.98563	3.9
113.02448	18.0
119.03481	8.2
119.04897	0.8
123.04518	1.7
123.28112	0.7
125.02441	23.0
125.03329	1.3
131.03433	1.4
137.02383	0.9
138.98402	0.7
143.03494	4.1
149.04568	3.3
161.04497	4.6
161.94786	0.8
167.91179	0.7
171.10287	1.2
179.05649	6.5
191.05766	0.8
209.11746	1.6
286.94241	0.9
325.20264	2.2
326.63651	0.8
357.26395	1.6
399.23889	14.7
417.24933	38.7
418.25540	2.0
459.25940	9.4
481.45364	0.7
499.29803	1.7
501.30670	11.8
502.31427	1.1
519.31775	4.5
561.28906	22.6
562.29388	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01415	0.2
55.01876	2.1
57.03444	5.0
58.00594	1.0
59.01378	85.4
60.01712	0.5
61.98826	7.7
67.01874	0.3
69.03449	0.8
71.01380	28.6
71.05026	0.5
71.53162	0.4
72.99310	1.5
73.02945	8.7
73.51778	0.2
75.00875	0.8
83.01390	4.2
83.05014	0.3
84.02164	0.3
85.02948	13.4
85.06586	0.4
86.00097	0.6
87.00877	2.1
87.04541	0.3
89.02444	11.1
95.01385	2.9
97.02967	0.6
97.06620	0.5
99.00877	3.1
99.04520	2.9
101.02439	19.6
103.00389	0.6
109.06565	0.5
111.00874	1.3
113.02447	11.1
113.09748	0.4
119.03489	3.7
123.08140	0.3
124.01644	0.2
125.02454	2.1
129.01956	0.4
131.03497	0.6
134.03755	0.2
143.03493	1.5
149.04565	0.8
149.06091	0.2
151.11250	0.3
155.10823	0.3
157.12341	0.9
159.03008	0.9
161.04564	3.3
169.12257	0.2
171.10269	2.4
175.02489	0.4
179.05571	1.1
187.82010	0.3
197.11885	0.5
199.13409	0.4
206.99765	0.3
209.11809	1.0
211.13342	0.4
211.17001	0.6
227.12842	0.5
253.09181	1.3
297.24408	0.3
298.09540	0.4
299.09985	0.3
307.18845	0.3
313.27411	0.7
321.24301	1.2
325.20132	2.0
339.25421	1.4
357.26443	1.8
381.26471	1.1
399.23468	0.3
417.24924	0.9
434.15109	0.3
449.19147	0.6
457.31564	1.0
471.29926	0.3
475.32709	2.9
483.29572	1.5
493.17993	0.4
501.30673	21.6
502.30801	1.4
517.19427	0.5
519.31714	7.0
520.32147	0.3
525.20837	0.4
543.31781	1.6
544.23425	0.3
561.32770	100.0
562.33099	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	562.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15691	0.7
61.98828	5.3
65.83224	0.9
69.25840	7.2
75.00839	0.7
78.95907	7.1
85.06589	1.0
85.98629	0.7
98.19852	1.4
98.89542	0.8
140.01228	2.1
152.75072	0.9
152.99553	1.0
165.12750	0.9
196.03796	1.8
199.13391	15.3
214.04898	3.9
256.08276	0.9
279.19702	7.4
303.59790	0.8
347.25787	4.2
353.06555	1.0
363.25421	1.1
365.26938	100.0
366.27209	6.3
471.52988	0.9
562.22797	1.6
562.31506	29.6
563.13812	1.1
563.31793	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	562.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43341	0.6
54.43684	0.5
57.42278	0.5
61.98830	100.0
67.26123	0.5
70.00155	2.2
93.12307	0.5
141.94353	0.5
209.94090	0.5
227.88913	0.6
242.18405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83920	0.6
59.01373	3.9
61.98830	14.0
69.60866	3.3
70.04635	0.7
70.66171	0.6
71.01379	10.3
72.99299	4.0
73.02934	1.1
80.75529	0.6
83.01385	0.9
83.37672	0.6
85.02925	1.2
89.02454	3.4
90.66642	0.6
99.00909	1.2
101.02447	2.2
103.00372	3.0
107.01385	1.3
110.28844	0.6
113.02450	1.7
114.11435	0.7
115.00379	3.6
118.39730	0.6
125.02438	1.0
131.03470	0.9
135.00896	1.4
137.02545	0.6
149.04536	1.6
151.00371	2.2
151.03787	0.6
152.16661	0.6
161.04520	1.2
163.00360	2.2
163.03973	1.0
169.06583	1.1
185.06105	2.3
187.04021	2.9
189.05649	0.8
195.04546	0.9
211.03989	1.3
213.05560	2.3
227.03476	22.6
229.05031	10.0
239.03381	1.0
240.04308	0.7
241.05141	1.6
255.02965	45.0
256.03613	4.9
257.04535	5.9
259.04562	1.1
267.02930	1.3
269.04404	1.1
284.03253	74.2
285.04019	90.0
286.04352	3.2
302.29642	0.7
348.77567	0.7
447.09290	100.0
448.09683	6.3
489.10031	3.3
545.09332	17.1
546.09888	1.1
563.10193	15.8
563.28369	0.9
564.10846	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.6
61.98825	3.9
71.01372	1.6
89.02451	2.1
107.01350	1.4
108.95297	1.4
151.00388	4.4
151.99423	1.4
183.04428	1.7
199.03949	5.6
215.03574	2.1
227.03426	5.8
229.25194	2.2
243.02956	21.1
244.06586	1.4
255.02985	18.1
271.02478	33.7
272.03052	4.3
299.01947	62.3
300.02704	31.6
309.87231	1.3
314.04321	42.9
315.05084	100.0
316.05347	4.7
365.74460	1.4
519.11377	44.3
520.11749	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	563.1405
Annotation	Neocorymboside
Peak:m/z	Relative Intensity
55.50434	0.3
61.64514	0.3
70.66812	0.9
75.99948	0.3
79.01859	0.3
93.03462	0.8
107.00631	0.3
117.03460	3.1
133.03079	0.3
135.04518	1.5
135.24150	0.3
149.02422	0.5
160.25641	0.3
161.02441	1.0
162.03206	0.4
163.03987	0.8
175.03975	1.2
177.02025	0.4
177.05539	1.2
179.03508	0.7
189.01891	0.6
189.05550	0.5
191.03474	1.3
193.05104	0.4
197.06163	0.4
203.03456	0.8
205.04991	0.3
217.04997	0.5
221.04579	0.5
233.04533	0.7
267.06622	0.6
268.07431	0.5
281.04620	0.6
282.05295	1.5
283.06131	2.4
293.04514	0.5
295.06161	2.9
296.06805	1.7
297.07660	11.8
298.07883	0.4
306.05450	0.5
307.06100	1.2
309.07681	1.2
311.05557	2.5
312.05814	0.3
323.05646	2.8
324.06302	0.6
325.07153	5.9
328.05823	1.9
335.05542	1.2
337.07208	2.5
341.06665	0.5
353.06650	32.3
354.06937	1.6
355.08112	1.0
356.05334	0.9
365.06631	5.2
367.08069	0.4
381.05978	0.6
383.07706	23.7
384.07983	0.8
395.07651	3.1
407.07489	0.6
413.08731	3.6
425.08905	1.7
443.09778	7.8
444.09515	0.6
455.09625	1.0
473.10831	6.2
475.81985	0.4
503.12021	0.6
545.12854	0.8
563.14038	100.0
564.14392	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	563.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19132	4.8
58.41830	4.7
59.01383	25.3
61.98826	41.0
69.58834	4.2
71.01377	7.2
73.02932	10.8
83.01368	15.9
84.23225	4.1
89.02401	9.4
92.52199	5.4
94.02984	50.6
98.20664	13.5
103.00372	17.2
112.16611	4.7
118.86282	4.5
131.72450	5.2
139.11252	9.7
180.97182	4.4
181.12361	8.4
183.10226	20.4
200.91315	4.8
209.51190	5.5
225.11345	16.8
229.54111	6.5
237.37033	4.3
243.12360	6.0
323.32132	4.8
327.14536	6.6
381.66916	4.9
387.16635	6.5
470.20175	9.8
482.20203	34.3
500.21402	100.0
501.21640	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	563.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.9
57.03448	9.6
58.00579	1.5
59.01378	100.0
60.01696	1.5
61.98828	62.3
69.65420	6.7
71.01379	33.9
73.02960	11.1
83.01380	7.0
85.02956	20.7
86.00134	1.4
87.00875	3.7
87.04515	3.1
89.02446	18.3
95.01393	2.1
97.02946	1.8
99.00887	6.0
99.04539	4.1
101.02444	25.1
107.01357	1.8
109.02927	2.5
109.06653	1.3
113.02448	15.5
114.93403	3.8
115.00388	1.6
119.03540	6.3
125.02477	4.2
127.04044	2.4
137.02441	2.5
139.11281	9.3
149.04546	6.2
151.00365	4.4
161.04541	5.2
163.11278	1.4
169.12325	1.9
170.28842	1.4
171.04495	2.4
179.05637	3.1
181.12340	3.9
183.10246	16.7
191.05612	2.6
195.13934	2.6
197.11864	2.2
199.22382	1.5
201.14894	1.9
209.11884	1.4
211.07674	2.4
213.05685	1.5
225.11314	16.0
243.12384	16.3
247.16882	1.5
255.06587	40.7
267.12326	5.2
285.13391	2.6
309.13315	1.9
327.14453	12.3
327.22055	1.9
341.26822	2.0
359.27948	7.3
383.27963	2.9
387.16629	1.7
439.67322	1.6
500.21259	27.1
501.21933	2.4
503.25897	2.7
503.32233	77.8
504.32715	4.0
521.33148	17.4
563.17950	21.2
563.31812	5.0
564.17511	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	3.3
58.00585	2.2
59.01377	72.1
61.70776	1.5
61.98830	51.2
67.36192	1.5
69.28351	15.1
71.01381	52.4
73.02945	21.2
83.01381	3.5
85.02943	5.5
87.00844	2.6
89.02443	100.0
98.20660	3.2
99.00886	27.7
99.04509	2.9
101.02444	42.2
103.00359	8.0
111.00935	1.8
113.02442	12.3
119.03534	4.0
119.05016	2.1
120.99638	2.0
125.02439	6.1
131.03505	19.5
143.03445	4.9
149.03360	3.9
149.04555	69.8
154.72443	1.9
161.04538	7.8
179.05635	2.3
183.04358	1.6
187.67119	1.7
191.05652	13.2
202.51373	1.7
220.23738	1.7
221.06628	7.0
243.02914	3.6
251.07770	9.2
255.02850	2.3
258.92654	1.7
259.43982	1.8
271.02338	4.4
281.08398	1.7
284.03195	3.9
285.04031	6.1
293.08551	2.3
299.01859	4.1
300.02783	2.0
311.09760	4.4
314.04297	3.4
315.05130	9.2
441.21310	4.2
447.09308	6.7
503.24960	65.3
504.25015	4.6
519.11499	4.8
552.69263	2.0
563.13892	3.2
563.27979	8.3
569.42749	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23420	0.8
55.01860	1.5
57.03448	89.2
57.96421	0.9
58.00599	0.9
59.01380	100.0
61.98829	44.9
71.01383	27.5
71.53006	1.5
72.99283	0.9
73.02940	8.7
75.00853	1.1
81.03445	2.2
83.01388	6.3
85.02951	15.5
86.00065	0.9
87.00865	2.7
87.04525	1.2
89.02444	9.4
93.03426	1.1
95.01391	2.3
97.02938	1.9
99.00885	4.7
99.04519	72.7
101.02441	42.9
102.02800	1.0
103.00350	1.2
111.00854	2.5
113.01723	1.2
113.02448	13.5
119.03478	4.1
119.04984	3.0
125.02448	27.3
125.09762	1.5
131.03552	1.1
143.03448	3.4
149.06061	1.4
159.02997	1.4
161.04572	4.6
164.49786	0.9
171.10277	1.6
187.09779	1.1
232.57549	1.0
239.15871	1.0
248.06702	0.9
253.09225	1.4
254.81871	1.0
257.21255	1.1
327.21594	2.6
359.27936	1.4
383.24170	1.5
385.25922	1.3
401.25369	25.6
402.25964	1.4
419.26514	73.9
420.26694	3.8
459.29266	2.0
461.27469	12.4
503.32205	10.5
521.33093	6.0
563.13708	3.8
563.30591	43.1
564.31409	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	563.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
57.03449	5.9
58.00596	1.1
59.01379	100.0
61.01810	0.7
61.98829	84.1
69.03456	1.2
70.52142	0.7
70.52454	0.6
71.01382	30.3
71.05050	0.7
72.99313	1.6
73.02946	8.7
75.00886	0.6
78.16431	0.4
80.56229	0.3
83.01385	4.6
84.02177	0.4
85.02947	14.4
86.00122	0.4
87.00853	2.3
87.04520	0.8
89.02445	13.2
93.03452	0.6
95.01364	2.6
97.02973	1.8
99.00858	3.7
99.04502	1.9
101.02440	21.7
102.02790	0.7
103.00361	0.5
111.00873	1.6
113.02451	15.7
119.03500	4.8
119.05026	0.5
121.02955	0.5
121.10260	1.0
123.18266	0.4
124.01691	0.5
125.02458	3.0
125.09703	0.4
127.11227	0.5
129.01945	0.6
131.03545	1.0
133.10143	0.4
135.04520	0.4
137.02481	0.9
139.00316	0.7
139.11284	0.5
141.12769	0.4
143.03516	3.0
149.04547	2.1
150.04936	0.4
151.04927	0.5
155.10791	0.4
157.01382	0.6
157.12334	0.9
159.02972	1.5
161.04553	8.0
163.03973	0.4
163.11247	0.5
169.12407	0.5
171.10269	0.4
171.13942	1.7
175.02530	0.5
179.05627	1.4
183.13872	0.7
187.13426	0.8
191.05618	1.0
201.11322	0.6
201.14975	5.2
209.11920	0.7
243.12389	0.6
297.24393	0.6
323.25952	0.6
325.11871	0.5
327.21619	1.6
341.26901	3.3
345.19168	0.7
353.06812	0.7
359.28040	4.9
363.20230	0.9
371.20483	0.7
383.07620	0.5
383.27994	2.0
419.22720	8.0
461.23883	6.5
467.29858	0.6
485.31009	3.1
501.27011	1.8
503.25189	5.8
503.32184	80.6
504.32504	6.2
521.33264	18.2
522.33508	1.8
563.14075	1.3
563.25873	4.4
563.33942	3.2
564.14423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.2
61.98828	100.0
66.42178	0.1
68.10875	0.1
69.20711	0.6
69.21136	0.4
71.01381	0.3
72.54737	0.1
73.02970	0.1
89.02464	0.4
103.00422	0.2
112.13009	0.1
206.11667	0.1
236.24661	0.1
243.73985	0.1
504.25586	0.2
512.00543	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	564.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40166	0.1
52.83821	0.1
57.65835	0.1
59.01366	0.2
61.98829	100.0
64.30037	0.2
70.38367	0.1
70.38745	0.4
71.01387	0.4
73.02937	0.2
73.98302	0.2
74.67062	0.1
74.99100	0.5
89.02456	0.3
94.02989	1.1
98.20622	0.1
99.00876	0.1
99.92593	0.2
103.00349	0.2
116.92867	1.5
128.16846	0.1
185.11890	0.2
219.10600	0.4
227.03484	0.1
256.03506	0.3
284.03400	0.4
285.03735	0.8
285.25800	0.2
286.04370	0.7
397.32178	0.1
448.09509	0.6
546.20074	0.3
564.21106	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	564.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74999	0.2
55.01864	0.2
55.37554	0.1
57.03444	2.2
59.01382	14.0
60.01721	0.9
61.98831	100.0
71.01383	5.2
71.01780	0.2
71.52743	0.2
72.01730	0.5
72.99326	0.3
73.02959	1.5
75.00887	0.2
80.89979	0.2
83.01398	1.6
85.02954	2.5
86.03281	0.3
87.00888	0.7
89.02452	1.9
91.92786	0.2
93.03468	0.2
95.01438	0.3
96.96011	0.2
99.00921	0.8
99.04509	1.2
101.02445	3.4
102.02795	0.2
103.00397	0.6
111.00883	0.5
113.02448	2.4
113.31863	0.2
114.02795	0.3
115.00378	0.3
116.92847	0.9
119.03509	0.5
121.10372	0.2
125.02468	0.7
125.09733	0.2
127.11283	0.3
131.03477	0.3
132.04623	0.2
134.75372	0.2
135.04565	0.2
136.07664	0.2
139.00351	0.3
139.11301	0.3
143.03497	0.5
149.04530	0.3
151.43462	0.2
157.01376	0.8
161.04561	1.3
163.03990	0.3
175.02451	0.2
179.05685	0.2
183.10353	0.3
191.05656	0.2
201.15054	0.3
225.11423	0.2
243.12434	0.9
325.11871	0.3
341.27026	0.3
359.28033	0.5
403.19882	0.5
419.15817	0.3
419.23013	0.3
420.23459	0.7
421.20718	2.8
462.24426	0.7
485.31216	0.2
486.31934	0.3
503.25314	0.1
503.32285	3.8
504.25626	0.4
504.32556	7.1
505.33771	0.7
521.32965	1.0
522.33704	1.7
564.28033	0.7
564.35358	0.4
565.26093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79654	1.3
59.01382	1.6
61.98822	2.5
63.96248	1.6
70.10294	1.1
71.01382	2.2
71.51231	1.7
79.95739	2.2
81.02173	1.2
82.02975	5.9
82.06616	1.8
83.02516	20.3
84.00906	9.1
84.43376	1.2
87.00878	1.3
87.05637	9.7
92.67816	1.2
96.00904	10.8
96.96002	3.2
98.02494	13.3
99.02004	1.3
99.05674	3.1
110.02473	15.6
111.01994	3.1
112.04049	6.7
113.02522	1.4
116.92845	2.6
123.03275	12.6
125.03577	4.1
125.07220	2.6
127.05138	3.0
130.08739	43.9
138.09251	17.1
142.06212	3.3
143.07030	9.8
144.07767	5.6
153.03029	3.3
154.01465	4.7
156.06578	1.9
169.09825	11.4
169.52968	1.5
170.09338	17.3
179.11909	3.5
180.05437	3.3
187.10889	4.0
195.11411	2.1
197.80452	1.2
205.09801	5.1
205.13495	1.8
217.06625	3.0
219.06815	2.5
223.10854	11.5
234.06714	1.5
234.09163	45.6
267.09839	98.2
268.10233	4.4
274.08630	2.1
285.10995	2.1
293.11414	4.1
311.12497	38.2
312.12723	1.6
332.09155	3.5
333.92392	1.3
371.10272	26.1
381.67157	1.3
389.11148	3.1
438.19839	3.4
482.22693	6.3
502.19696	24.8
546.22363	100.0
547.22827	5.7
564.23383	17.8
565.22418	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	564.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.2
59.01371	1.3
61.98830	100.0
69.56635	1.0
69.57043	0.4
71.01385	1.6
72.99319	0.3
73.02930	0.4
76.05273	0.2
82.66512	0.2
85.02963	0.8
89.02479	0.3
97.13974	0.2
101.02449	1.2
101.39268	0.2
113.02435	0.4
146.58942	0.2
152.82848	0.2
193.82881	0.2
222.59607	0.2
310.18146	0.5
328.19263	0.8
399.65448	0.2
501.30679	13.0
502.31232	0.7
564.28271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.2
57.03200	0.1
57.03440	0.9
58.00596	0.2
58.66645	0.1
59.01379	12.1
61.98830	19.0
62.30436	0.1
63.02393	0.5
65.00337	0.6
68.85608	0.2
68.99814	0.2
70.52259	0.3
70.52621	0.3
71.01383	4.6
72.99310	0.3
73.02949	2.3
75.00871	0.2
83.01385	3.2
83.05027	0.2
85.02952	1.5
87.00854	0.2
87.04511	0.6
89.02444	3.2
89.03434	0.1
89.03946	1.0
91.01395	0.1
91.01892	0.8
93.03442	0.2
95.01387	0.3
95.05062	0.4
97.02926	0.3
99.00893	0.7
99.04530	0.5
99.92555	0.3
101.02435	3.2
103.00367	0.2
105.03459	0.4
107.01395	0.7
109.02964	0.9
109.06599	0.2
111.00869	0.2
113.02454	1.6
116.92840	1.0
117.92849	0.2
119.03492	1.5
119.05083	0.1
121.02936	0.2
123.04520	0.6
125.02448	0.5
131.03485	0.3
133.02966	1.9
135.00894	1.0
137.06061	0.2
137.09692	0.2
139.07610	0.2
139.11295	2.6
143.03461	0.5
149.02417	0.2
149.04597	0.2
149.42424	0.2
151.11292	0.2
153.01923	0.2
161.04555	0.9
161.05971	0.2
165.09251	0.3
169.12329	0.5
171.10298	0.2
177.01924	100.0
178.02287	2.5
179.05595	1.4
179.10727	0.6
181.12291	1.1
183.10265	4.6
195.13876	0.2
197.11789	0.8
207.10124	0.2
211.13356	0.2
225.11314	5.5
226.11668	0.2
227.03542	0.3
229.14453	0.2
231.10226	0.2
237.01985	0.2
239.12856	0.3
243.12346	6.3
244.12708	0.2
249.11258	0.5
253.09285	0.5
255.03044	0.5
255.12471	0.2
263.13007	0.2
267.12277	1.0
284.03128	0.2
285.03983	0.5
285.13550	1.1
291.12289	0.9
297.13498	0.2
309.13382	0.3
327.14490	3.1
329.23251	1.6
387.16602	8.1
388.16974	0.5
421.20508	0.4
461.31232	0.8
474.80014	0.2
489.10254	0.5
490.10608	0.2
503.32056	0.2
504.32596	0.2
505.26373	0.9
505.33746	3.3
523.34882	0.3
565.18524	2.4
565.36334	1.4
566.19745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
57.03436	0.9
58.00601	0.2
59.01380	10.1
61.86691	0.1
61.98830	18.6
63.02400	0.3
65.00335	0.5
67.01886	0.3
69.03448	0.2
71.01380	3.6
71.90983	0.1
72.99313	0.3
73.02937	2.2
83.01386	3.0
85.02945	1.3
87.00865	0.3
87.04509	0.6
89.02448	2.9
89.03953	1.3
91.01884	0.9
94.42471	0.2
95.01418	0.3
95.05024	0.3
96.95985	0.2
97.02948	0.3
98.20654	0.3
99.00919	0.4
99.04510	0.5
99.92568	0.3
101.02441	3.1
103.00370	0.3
105.03444	0.4
107.01393	0.4
107.05039	0.1
109.02960	0.7
109.06593	0.3
111.00889	0.2
111.08129	0.3
113.02443	1.5
115.92130	0.2
116.92848	1.3
117.92850	0.3
119.03493	1.0
121.02924	0.3
123.04522	0.6
125.02446	0.5
125.06109	0.3
127.07647	0.3
133.02963	1.8
135.00900	0.9
137.09723	0.2
139.07648	0.2
139.11284	2.5
143.03499	0.5
149.02408	0.4
149.04521	0.2
151.11275	0.4
161.04507	0.8
163.04016	0.3
165.09221	0.3
169.12395	0.8
171.10332	0.3
175.02348	0.1
177.01927	100.0
178.02269	2.7
179.05605	1.2
179.10802	0.7
181.12364	0.8
183.10262	4.7
195.13882	0.2
197.11864	0.7
199.13388	0.2
211.13417	0.2
225.11314	4.6
239.12798	0.2
243.12355	5.8
244.12778	0.3
249.11218	0.5
253.09241	0.4
255.02965	0.3
261.31039	0.1
262.45129	0.1
267.12442	0.9
274.15332	0.2
284.03061	0.2
285.03995	0.3
285.13428	1.0
291.12390	1.0
297.13254	0.2
309.13559	0.3
327.14471	2.5
329.23218	0.9
361.29401	0.2
385.29669	0.2
387.16586	7.8
388.16776	0.5
421.20813	0.5
461.30893	0.5
489.10172	0.3
504.32385	0.2
505.26065	0.6
505.33456	3.1
506.34744	0.2
523.34387	0.3
565.18823	2.4
565.36084	1.3
566.19397	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20898	1.3
57.03444	4.8
59.01379	15.1
61.98823	7.0
62.91753	1.2
66.43253	1.3
69.69462	7.3
69.79084	1.3
71.01391	2.6
78.77271	1.3
103.00363	14.2
111.04147	1.3
116.92866	1.5
119.08675	6.2
137.09714	26.3
161.09729	2.5
177.12816	4.1
180.82111	1.5
185.36470	1.4
197.50395	1.2
201.25609	1.7
221.11861	5.1
226.02921	1.3
239.12880	100.0
240.13176	3.4
281.13931	57.1
282.14340	3.0
292.54605	1.4
565.28406	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	565.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	30.1
61.98830	100.0
71.52015	19.0
78.22399	11.0
116.92845	21.6
150.82329	11.2
317.21075	17.6
347.25439	11.0
401.68988	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	565.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.2
58.00592	0.9
59.01379	39.6
60.01694	0.9
60.99302	1.0
61.98829	43.9
69.26167	1.6
69.26571	4.5
71.01380	23.0
72.99290	1.7
73.02956	10.0
75.00850	0.8
81.03468	0.7
83.01394	6.2
85.02947	9.9
87.00872	1.5
88.98810	5.3
89.02454	11.1
89.03933	1.5
94.32411	0.7
95.01372	1.8
97.02949	1.1
98.20693	1.4
99.00899	5.7
99.04493	1.2
101.02446	16.7
103.00374	2.4
105.03448	3.3
109.08262	0.7
111.00871	1.3
113.02451	9.9
115.03986	1.0
116.92852	3.9
119.03524	2.7
119.05001	1.7
125.02447	2.8
129.01895	1.1
131.03496	2.1
133.02951	8.8
134.03781	0.8
138.44202	0.8
139.11240	1.3
143.03484	1.2
149.02438	2.1
149.04488	1.7
149.06058	1.2
153.01965	1.1
157.01347	1.3
159.03014	1.3
161.04549	4.7
163.04007	1.2
167.07039	0.6
175.02457	0.7
177.01921	100.0
178.02336	2.7
183.10251	2.6
191.05626	0.9
203.02879	0.8
206.95404	0.7
224.13445	0.6
225.11340	1.3
243.12413	3.4
293.08862	0.7
313.10785	0.9
328.13013	2.8
329.22772	0.8
343.15485	11.3
344.16058	0.9
372.52084	0.9
373.22043	6.7
373.25980	1.6
387.16617	2.0
389.25381	1.2
419.15747	1.9
475.21957	4.7
504.32852	1.2
505.26563	62.8
505.33026	3.7
506.26843	4.2
521.20789	0.9
523.33966	0.9
529.22668	1.3
565.19275	2.9
565.28217	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	565.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.6
57.03437	2.7
58.00575	0.9
59.01380	71.6
61.98830	20.8
69.14569	6.7
71.01381	32.4
72.99310	1.2
73.02556	0.9
73.02946	11.6
75.00871	1.3
83.01395	5.0
85.02948	14.1
86.90849	0.6
87.00878	2.2
88.98801	0.7
89.02453	8.6
93.05238	0.6
95.01410	3.1
95.44778	0.5
97.02951	1.0
98.20768	1.2
99.00887	4.4
99.92584	3.7
101.02443	20.3
103.00414	0.8
111.00894	1.8
113.02451	12.8
116.92862	32.1
117.01942	4.2
119.03479	2.1
119.05006	0.7
125.02462	1.3
129.01927	0.9
143.03444	1.4
149.04584	0.9
159.02977	2.4
161.04547	9.2
177.01915	0.8
194.85092	0.7
211.13292	0.9
214.51109	0.6
219.82730	0.7
226.40138	0.6
229.14424	1.0
243.12512	1.3
253.09361	1.5
255.03070	0.8
275.07764	0.6
305.99850	0.7
325.27341	0.8
327.13470	1.7
329.23300	3.5
343.28448	2.0
361.29315	0.9
448.22318	0.7
461.31290	4.7
484.23068	0.6
487.32782	8.1
505.33810	100.0
506.34076	6.6
507.32339	0.6
521.20660	0.7
523.34692	2.8
565.18933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76471	0.3
59.01380	2.2
59.24210	0.2
61.98829	100.0
68.24818	0.3
69.18628	2.2
71.01378	2.6
72.01744	0.3
73.02952	1.2
84.70670	0.3
85.02966	0.9
87.00878	0.3
89.02413	1.3
99.00907	0.7
101.02456	1.9
102.02872	0.3
112.00518	0.3
113.02473	0.9
114.02763	0.3
161.04553	0.4
163.32999	0.3
164.54546	0.3
190.56502	0.3
194.63440	0.3
223.91920	0.3
243.12430	0.4
254.63997	0.3
313.22607	0.3
359.01877	0.3
368.53351	0.3
374.23019	0.7
439.82803	0.4
505.26572	0.6
506.26794	5.3
507.27289	0.4
566.23096	0.3
566.29553	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	566.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
55.51513	0.5
57.03450	1.0
59.01382	68.8
60.01716	1.5
61.98831	100.0
71.00364	1.0
71.01387	8.2
73.02962	3.4
83.01376	1.1
85.02956	3.5
87.00899	0.6
88.98733	0.4
89.02449	4.4
90.02823	0.4
90.26328	0.4
91.49339	0.5
95.01404	0.6
96.96013	7.3
99.00872	1.4
101.01819	0.4
101.02443	6.5
102.02766	0.5
113.02461	4.1
114.02732	0.5
114.93318	0.7
116.92873	0.5
119.03497	1.0
125.02460	0.6
143.03401	0.8
148.67787	0.5
149.04495	0.4
161.04398	1.5
161.05634	0.5
164.25000	0.4
177.01669	0.4
217.04236	0.4
243.12103	1.3
374.22076	0.5
381.22186	0.6
399.23837	8.7
400.23584	0.5
417.24872	3.7
421.16296	0.7
459.25946	6.2
462.30203	0.6
496.42950	0.5
505.25537	1.2
505.32599	2.2
506.25558	6.6
506.32901	8.9
506.40811	0.8
524.33844	0.9
579.66174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89857	0.1
57.03452	0.2
57.52198	0.1
59.01379	5.8
61.98829	100.0
62.98534	0.2
65.70946	0.1
71.01387	0.6
73.02956	0.3
78.95911	0.2
83.01404	0.4
84.50006	0.1
85.02967	0.2
89.02455	0.2
96.86971	0.1
101.02460	0.4
106.22952	0.1
108.55649	0.1
113.02433	0.2
114.02847	0.1
115.92059	0.2
116.92876	0.2
123.04568	0.1
136.01668	0.8
139.11310	0.3
151.03987	1.4
158.28522	0.1
178.38783	0.1
179.05644	0.1
179.10765	0.1
183.10309	0.5
198.52664	0.1
225.11432	0.4
226.41678	0.1
243.12341	0.3
265.12012	0.1
357.13568	0.3
372.15079	0.3
387.16974	0.2
418.90808	0.1
506.34012	0.6
566.23639	1.0
566.36700	0.2
566.73743	0.5
567.26270	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	566.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.2
59.01380	2.8
61.32164	0.2
61.98832	100.0
62.04139	0.1
71.01396	1.2
71.51876	0.2
73.02952	0.3
75.97247	0.1
77.93881	0.1
83.01370	0.2
84.96587	0.2
85.02965	0.7
89.02480	0.3
89.90005	0.2
101.02460	0.8
110.83233	0.2
113.02475	0.6
114.71886	0.2
120.07030	0.2
161.04680	0.2
223.13454	0.4
223.62514	0.2
344.48911	0.2
503.32242	11.2
504.32620	1.2
557.64832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
59.01378	21.8
60.01721	0.7
61.98829	47.0
62.10630	0.6
69.03456	1.6
71.01379	5.8
71.51874	1.2
72.99291	0.9
73.02930	4.2
75.00864	2.0
83.01376	4.1
85.02940	3.0
87.00874	1.3
89.02441	2.2
93.03439	0.9
95.05019	0.9
97.02946	1.9
99.00895	2.3
99.04549	0.9
101.02456	3.9
103.00367	1.0
107.05032	0.9
111.00863	0.8
113.02454	2.1
119.05031	4.5
129.01944	2.0
134.03731	4.0
135.04523	100.0
136.04840	2.1
137.09731	4.0
138.10081	1.0
139.11288	10.6
141.01918	0.8
143.03534	0.7
147.03271	2.1
147.67664	0.6
149.04510	0.6
156.29504	0.6
161.04533	0.8
162.05611	24.8
162.98445	0.7
163.04031	3.2
164.07158	0.8
169.12354	0.8
177.03989	3.2
179.03496	76.3
180.03931	2.2
181.12328	6.0
183.10268	17.2
197.11928	1.2
199.13416	1.2
207.06856	0.7
225.11307	10.6
239.12897	4.7
240.13271	4.3
243.12347	32.4
244.12668	1.1
251.10011	0.6
263.12805	1.1
264.68405	0.7
267.12524	0.9
274.84766	0.7
285.04077	1.0
285.13281	3.8
291.12402	1.1
315.14258	0.7
327.14487	2.8
341.16330	0.8
345.15570	2.8
359.17215	1.1
387.16437	8.4
403.16211	4.4
405.17511	1.6
419.24686	0.8
421.17142	33.6
422.17307	1.6
460.19720	1.2
481.59586	0.8
506.34332	1.8
507.26932	0.7
507.34518	1.2
531.28259	1.1
567.20465	20.7
568.23907	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	567.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.0
59.01377	63.9
61.98816	5.3
69.43815	8.4
71.01376	19.0
73.02956	9.6
85.02957	7.6
89.02440	17.9
95.01386	2.7
95.05009	2.4
97.02859	1.4
98.20631	2.5
99.04509	2.0
101.02448	18.6
103.00365	19.9
109.06614	2.0
109.56203	1.2
113.02441	13.2
119.03467	6.0
123.04501	1.9
125.02453	6.7
137.06059	2.2
139.03992	1.5
139.11276	22.2
143.03438	3.6
146.03716	2.3
149.04567	1.5
149.06033	2.1
155.10721	5.0
161.04526	5.4
163.11234	9.7
165.09206	1.6
167.07106	2.8
179.05585	9.7
179.07086	2.6
181.12332	31.3
183.10252	25.9
199.09772	5.2
205.12335	2.1
207.10231	4.3
225.11296	95.8
226.11595	3.5
239.12823	2.1
243.12357	100.0
244.12685	4.3
249.11293	7.7
257.13852	2.1
267.12256	4.8
285.13443	30.0
297.13309	2.8
327.14572	2.5
387.16626	22.0
391.19290	2.2
405.17593	35.5
406.17664	2.9
447.18484	4.7
472.65826	1.3
477.19449	1.4
507.20651	8.0
527.77856	1.4
549.21893	2.6
567.23138	32.5
568.22839	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74842	1.2
57.03433	1.7
59.01378	34.4
60.56804	1.1
60.95842	1.2
61.98829	100.0
63.28408	1.2
71.01388	9.3
71.52097	1.9
72.06394	1.3
73.02950	2.5
78.95917	1.3
81.03350	1.2
83.01396	1.4
85.02953	3.2
89.02443	11.5
95.01387	2.2
98.70564	1.3
99.00878	4.3
99.04568	1.4
100.46400	1.5
101.02438	7.0
113.02444	4.7
116.92844	2.6
131.03473	1.4
135.04597	1.7
136.07718	9.3
149.04558	9.5
191.05542	1.5
193.03111	1.3
208.24051	1.3
209.04510	8.1
226.90739	1.6
293.08932	1.9
359.87354	1.2
421.13840	2.6
428.15915	1.5
435.15393	2.6
505.19547	2.1
507.34760	2.4
531.27551	4.4
567.25836	27.6
568.26514	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	44.2
61.98831	100.0
62.37497	1.1
71.01387	13.1
71.51939	1.3
72.99319	1.3
73.02953	6.0
83.01397	2.8
83.94741	1.3
85.02955	4.1
86.52008	1.3
87.00870	2.0
88.98830	2.9
89.02435	15.1
96.96029	1.7
99.00891	3.3
99.04571	1.4
99.92603	1.2
101.02440	12.4
103.00385	1.2
113.02454	4.1
116.92844	8.2
119.03524	2.8
123.04501	1.1
125.02468	2.2
131.03520	1.7
135.04541	2.1
137.09703	1.6
149.04573	11.5
149.05653	1.6
152.07246	1.1
155.10782	3.7
161.04550	2.9
177.01923	26.3
178.02264	10.6
179.02386	7.0
179.05618	1.7
191.05655	1.8
196.03665	1.4
199.09903	1.6
221.06767	2.1
243.12381	3.5
251.07726	3.3
388.16776	1.7
507.27985	1.9
507.34576	1.7
531.28345	13.0
567.25928	56.0
567.35089	2.7
568.26050	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	567.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66284	0.5
56.19495	0.6
57.03439	1.5
58.11343	0.6
59.01382	13.7
61.68974	0.6
61.98830	31.9
63.45354	0.6
71.01376	6.6
73.02956	4.0
80.05095	0.8
80.05589	0.7
83.01393	0.7
85.02951	7.4
87.00859	1.7
87.04520	3.1
89.02456	1.7
97.02908	1.3
99.00900	1.1
99.04527	0.7
101.02428	4.0
113.02466	2.0
116.92854	1.0
121.06585	10.5
128.81056	0.7
135.00771	0.6
135.08148	3.0
136.07666	0.8
137.09723	47.0
138.10039	1.0
155.10776	79.9
156.11153	1.9
161.04532	1.2
169.12244	0.6
171.13350	0.7
173.09639	0.7
175.11244	0.7
177.12871	0.8
179.10670	1.7
181.08664	4.6
191.10745	0.6
195.10217	0.9
199.09758	24.9
199.11636	1.3
200.10086	0.7
204.11671	1.5
205.12314	9.5
213.11363	1.3
237.11206	0.9
241.10776	2.1
255.12338	1.3
283.11737	2.3
417.17755	4.5
429.17603	10.7
507.35034	1.1
549.27020	27.8
550.27411	2.0
567.28107	100.0
568.28320	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	567.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10465	0.6
55.01870	1.7
57.03439	1.6
59.01378	35.4
60.63062	0.5
61.98827	3.3
69.03453	0.6
69.28445	0.6
71.01380	12.5
71.40980	0.8
72.99337	1.0
73.02937	4.8
81.03475	0.6
83.01396	3.6
85.02952	10.6
85.03464	0.7
86.00107	1.4
87.00848	0.9
95.01389	1.8
97.02931	1.0
97.06551	0.9
99.00888	1.7
99.04523	1.5
101.02442	7.5
112.01618	1.1
113.02461	4.9
118.23027	0.5
143.03502	1.2
161.04613	1.0
189.12872	0.8
217.15938	5.5
219.17374	1.2
301.21686	2.0
319.22757	30.8
320.23129	2.0
403.24930	1.4
463.26996	10.6
464.27164	1.3
481.28049	33.6
482.28546	3.5
523.29083	100.0
524.29462	8.8
569.36157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
57.03442	1.7
58.34444	0.5
59.01115	1.0
59.01380	15.4
61.98830	5.4
63.99258	1.0
69.03455	0.6
69.20473	1.6
69.20893	3.6
71.01379	25.3
72.99307	1.0
73.02947	12.2
75.00885	1.2
83.01391	4.3
85.02948	10.7
87.00858	0.9
89.02448	6.6
93.66572	0.5
95.01390	2.1
97.02939	1.0
99.00867	5.2
101.02441	20.5
101.03106	1.2
103.00362	1.1
107.05003	2.1
111.00869	1.6
113.01720	0.8
113.02445	9.2
115.04002	1.5
116.92827	0.7
119.03486	1.1
125.02420	1.8
129.01971	0.8
131.03523	1.0
131.92288	0.6
143.03491	1.8
149.04523	0.9
151.60915	0.6
157.01437	1.1
159.02988	1.9
161.04552	6.2
172.86458	0.5
183.10236	0.7
233.06665	0.6
255.19519	0.6
256.88150	0.6
375.23843	10.7
389.25415	0.8
419.22412	0.8
507.28055	100.0
508.28381	8.1
567.20557	2.7
567.30164	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	567.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
57.03434	1.9
58.00578	0.6
59.01379	14.8
59.19930	0.5
61.98829	13.0
63.99244	2.0
66.39004	0.5
69.03453	0.9
69.35297	2.2
69.35720	2.2
71.01382	28.7
72.99288	1.6
73.02946	13.7
75.00859	2.4
78.29028	0.5
83.01383	4.6
85.02947	13.1
87.00865	1.6
89.02439	6.1
95.01399	1.8
97.02949	1.7
99.00877	6.0
99.04491	0.8
101.02442	23.6
102.98590	1.1
103.00379	6.0
111.00852	0.5
113.02441	10.5
115.04012	1.0
123.08121	0.6
125.02425	1.6
129.01935	1.0
131.03456	1.8
143.03502	1.4
149.04573	0.6
159.02972	2.0
161.04550	7.5
203.72713	0.5
243.12369	0.6
243.16008	1.0
278.90433	0.6
293.08737	0.6
352.63113	0.6
375.23849	10.3
389.25485	0.8
391.26169	0.8
404.27771	0.6
453.49338	0.6
507.28061	100.0
508.28366	7.5
567.22955	1.2
567.30322	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	567.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31564	0.4
55.05164	0.4
55.37364	0.3
59.01378	100.0
60.01704	0.9
61.98833	5.6
69.30828	3.1
71.01403	0.5
101.02453	0.7
106.95677	0.4
116.92887	0.8
123.59174	0.4
154.87756	0.4
155.72139	0.4
208.07852	0.4
208.98117	0.4
247.39790	0.4
257.32950	0.4
269.46857	0.4
354.14960	0.4
401.98886	0.4
454.05533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
59.01379	16.6
60.01688	0.4
61.98831	21.7
69.03454	0.4
71.01376	1.9
71.52195	0.4
72.99303	0.4
73.02949	1.2
75.00906	0.4
75.05036	0.4
83.01421	0.4
85.02959	0.9
87.00864	0.4
88.98813	0.5
89.02428	0.5
93.03453	0.3
95.05012	0.4
97.02966	0.8
101.02471	1.3
116.92853	1.3
118.03014	1.0
119.03745	0.7
119.05016	0.5
122.03748	1.3
125.61007	0.3
128.03481	0.4
128.83578	0.4
129.01921	0.3
130.08765	0.4
134.06143	0.6
135.04529	5.9
136.04921	1.7
137.09721	0.5
139.11290	10.9
140.11650	0.6
144.04558	1.1
146.02470	0.9
147.03270	7.6
147.04449	0.5
161.04738	0.5
162.05602	100.0
163.04060	0.4
163.05943	2.8
163.41327	0.4
164.07181	0.4
165.09232	0.4
169.12396	0.5
177.04044	0.3
179.03474	3.1
180.03752	1.6
181.12326	5.3
182.12724	0.4
183.10255	12.2
184.10538	0.8
185.32916	0.4
199.13383	1.1
223.82289	0.4
225.11317	6.7
226.11636	0.4
239.12856	0.8
243.12357	28.5
244.12743	2.7
285.04233	0.8
285.13446	8.6
286.13745	0.4
293.13980	0.5
315.14355	2.6
345.15485	9.7
345.19394	0.7
346.16199	0.4
387.16547	0.5
403.16061	0.4
404.16589	0.5
405.17590	9.3
406.17871	0.8
421.17026	2.4
422.17508	4.0
550.23114	0.5
568.23956	24.2
569.24628	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	568.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.2
61.98830	100.0
69.24643	0.4
69.25060	0.4
71.16199	0.1
75.00870	0.1
79.77493	0.1
89.02432	0.1
104.28654	0.1
109.02956	1.0
119.00095	0.1
181.01390	0.5
207.14952	0.1
251.56528	0.1
284.26819	0.1
328.85507	0.1
438.31186	0.2
462.48679	0.1
476.46097	0.1
507.27396	0.2
508.27576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38176	0.1
57.03456	0.2
59.01377	1.7
61.98830	100.0
62.58249	0.1
63.07411	0.2
64.84849	0.2
71.01385	0.6
71.52049	0.3
73.02942	0.3
75.39661	0.2
78.33163	0.2
79.13625	0.2
83.01393	0.5
83.81682	0.2
85.02993	0.2
87.00884	0.2
90.03207	0.1
94.02991	0.2
96.00950	0.3
97.03014	0.2
97.92676	0.1
98.02453	0.2
101.02452	0.2
107.03786	0.4
107.05058	0.4
113.02480	0.2
119.05060	0.3
121.05348	0.7
122.06129	2.1
130.08713	0.3
132.04559	3.2
135.04553	2.3
136.04886	0.8
136.07683	0.3
137.06117	0.2
139.11290	0.5
149.04861	0.2
152.07166	4.9
160.04120	0.2
162.05643	0.4
163.72420	0.1
164.03587	0.5
164.04857	0.2
164.07230	0.2
166.05045	0.3
167.05933	0.3
171.15544	0.1
176.03511	1.1
179.03549	0.4
179.07114	0.3
180.07524	0.2
181.13588	0.2
183.10304	0.6
183.15135	0.2
184.10684	0.2
190.05215	0.6
191.05908	0.3
216.30698	0.2
225.11310	0.2
226.11646	0.4
227.14146	0.7
239.08324	0.4
243.12462	0.8
244.12848	0.7
251.12067	0.2
285.13492	0.2
292.51978	0.2
295.11035	0.2
297.12500	0.2
312.10974	0.2
313.12048	0.3
324.10907	0.2
341.11371	3.2
341.15369	0.2
342.11530	0.2
355.13013	0.9
356.13629	1.2
388.12756	1.6
388.16843	0.2
404.16409	0.3
421.17545	0.6
422.17401	1.0
492.21613	0.7
508.27930	0.2
508.47775	0.2
524.24072	2.5
525.24854	0.3
532.08087	0.2
533.30096	0.6
536.20074	0.8
568.22467	4.3
568.33234	0.3
569.23236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19400	0.1
57.03444	0.1
59.01379	1.8
60.36810	0.1
61.98830	100.0
69.33720	1.0
71.01395	0.5
73.02945	0.2
74.51472	0.1
82.95428	0.7
88.98815	0.2
89.02460	0.1
99.92612	0.4
101.02465	0.2
109.02971	0.1
113.02483	0.3
116.92867	1.5
117.92854	0.3
118.92688	0.3
122.06177	0.1
137.09866	0.2
138.05797	0.1
152.07152	0.3
171.10266	0.1
183.62967	0.1
239.12735	0.2
241.14522	0.5
243.12454	0.2
248.10768	0.1
492.17938	0.2
568.21918	0.3
568.41345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89078	0.1
59.01379	1.2
61.98828	100.0
69.03429	0.1
71.00529	0.1
71.00861	0.2
71.01394	0.4
85.02967	0.1
86.26565	0.1
89.02495	0.1
100.12290	0.1
104.41096	0.1
116.92870	0.3
125.69116	0.1
173.21269	0.1
183.10410	0.1
204.74139	0.1
240.42433	0.1
331.32294	0.1
367.66266	0.1
373.66470	0.1
410.06342	0.1
461.05322	0.1
508.35529	0.1
555.20996	0.1
568.28326	0.4
569.26404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78567	0.8
57.03467	1.3
59.01379	100.0
59.47084	0.8
60.01717	0.7
61.98824	22.1
68.99803	0.7
69.27013	4.5
69.27425	1.8
71.01384	11.9
72.99319	0.8
73.02953	3.7
78.95911	1.2
79.39430	0.8
83.01385	1.4
85.02960	3.8
87.00906	1.5
89.02443	4.9
95.01418	0.9
96.95982	0.8
97.87460	0.7
99.00871	1.2
99.04488	0.8
101.02429	6.6
104.48604	0.8
107.03509	0.9
113.02448	7.3
116.92882	2.2
119.03487	1.4
143.03532	0.9
151.00409	1.8
155.10796	7.8
155.75919	0.7
159.62910	0.7
161.04588	2.9
162.02864	0.7
165.75719	0.8
171.10315	1.0
179.05635	1.0
199.09821	1.4
285.04205	2.3
329.85104	1.0
343.73392	0.7
392.01346	0.7
453.15369	0.8
465.28772	3.7
483.29886	4.5
525.30444	1.1
531.15210	3.0
569.29987	9.5
570.30084	0.7
578.06134	0.8
578.60632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02531	1.0
57.03440	3.0
57.27360	0.9
59.01380	100.0
59.75377	1.0
61.98830	86.2
71.01381	9.3
71.52012	1.3
73.02953	3.9
83.01384	1.3
85.02954	3.8
87.00880	1.6
88.98840	1.3
89.02435	3.5
95.01379	1.2
95.11295	1.1
96.96011	1.5
99.00900	1.4
99.04520	1.1
99.92582	2.5
101.02454	6.5
106.06617	3.3
113.02438	7.1
115.92078	2.7
116.92861	5.6
119.03532	1.6
125.02421	1.7
134.06123	30.7
152.99629	1.8
158.02473	1.1
160.03935	1.3
161.04533	2.4
162.05653	1.0
171.10262	1.8
176.03481	1.7
190.05098	4.2
222.90840	1.0
224.09541	1.3
239.11908	4.0
242.95970	1.0
243.12370	1.8
253.06041	1.3
273.33090	1.1
283.10904	12.3
294.09988	1.2
295.10846	3.9
325.82297	1.1
337.12207	1.1
430.17679	7.1
462.20184	2.2
465.28522	15.2
474.16702	17.6
475.17062	1.9
483.29620	8.1
506.19305	23.4
507.19467	3.1
525.30530	3.6
569.27716	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	569.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56693	0.5
57.03436	1.6
59.01378	100.0
59.19488	0.5
60.01703	1.1
61.98833	10.6
69.36845	4.1
70.76130	0.5
71.01380	7.8
72.99310	0.7
73.02941	2.3
83.01401	2.0
85.02954	3.5
86.95461	0.5
87.00884	0.7
88.98796	3.5
89.02450	1.0
95.97188	0.5
96.43301	0.6
96.96004	1.0
98.95646	1.2
99.00883	1.6
99.04534	0.9
99.73416	0.5
99.92585	9.3
100.92608	0.9
100.93330	0.9
101.02441	4.9
113.02439	2.7
114.94955	1.5
115.92065	5.6
116.92860	54.3
117.92901	2.3
135.04564	0.8
148.05283	1.0
148.69872	0.6
156.95999	0.6
158.94000	0.6
161.04512	3.5
162.05635	1.0
163.06024	0.8
163.07634	1.3
175.55344	0.5
181.05121	0.9
181.08775	0.9
182.97562	1.6
183.10387	0.8
183.94760	0.6
225.11436	0.7
226.96484	5.9
227.97438	0.7
235.49086	0.5
243.12444	1.9
345.15714	1.2
405.17566	0.7
483.29550	5.7
525.30566	3.5
533.08264	1.4
569.09674	9.7
569.26135	2.4
570.09589	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01379	53.7
61.98829	100.0
62.98544	1.3
62.99260	0.6
63.99252	0.7
69.22606	4.4
71.01387	4.4
73.02953	2.1
80.96497	0.5
83.01390	0.6
83.25285	0.5
85.02923	2.7
88.98806	1.5
89.02460	1.3
96.96009	0.5
99.00907	0.8
99.92608	1.9
101.02429	4.2
113.02441	1.6
115.92083	0.7
116.92863	6.8
121.02938	0.7
125.02460	0.8
135.03336	0.5
137.06142	0.5
153.68913	0.4
155.10796	1.0
161.04601	1.7
172.97888	0.5
201.71550	0.4
243.12407	0.8
269.14331	0.5
273.17215	0.6
375.01141	0.5
387.16962	0.8
402.05096	0.5
465.28580	1.2
483.29852	1.9
484.22916	0.5
484.30017	0.5
525.23340	0.6
525.30914	2.2
569.08813	0.8
569.30084	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	570.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
61.21050	0.1
61.98829	100.0
64.92608	0.1
69.25508	0.2
69.68520	0.1
71.01373	0.2
71.52174	0.2
87.04948	0.1
101.02489	0.2
113.02455	0.2
121.58030	0.2
129.12236	0.1
133.35368	0.1
137.09746	0.4
139.41968	0.1
146.65665	0.1
239.12935	1.1
243.12587	0.2
273.12543	0.2
298.09943	0.2
335.12488	0.7
444.04233	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50815	0.3
59.01386	1.9
61.98532	0.6
61.98829	6.7
66.26803	0.3
71.01388	0.6
94.06616	0.6
102.03505	1.3
107.03735	0.3
108.08198	4.6
116.92854	0.4
121.05347	3.1
122.06134	2.9
130.03000	0.4
132.04549	4.7
134.06120	1.3
135.03333	0.5
136.07678	82.1
137.08017	1.6
144.04547	0.7
145.11266	0.4
150.05612	1.7
153.04298	1.4
158.02509	1.5
160.04019	4.5
162.05617	1.0
164.07141	0.7
168.06660	0.7
172.04021	0.6
174.05557	0.6
176.03564	2.7
176.07156	0.4
190.05081	5.6
191.05757	0.6
211.06413	0.4
211.12364	0.7
212.10902	0.5
213.10249	0.4
215.11871	1.2
223.08728	2.8
224.09384	2.9
227.08165	0.6
236.09497	0.6
237.10289	0.7
238.11049	1.2
239.08211	0.9
239.11884	12.7
240.10300	2.0
240.12372	0.4
241.06047	0.4
241.09827	1.4
250.07478	0.7
251.08124	0.8
251.11922	3.8
253.06177	3.5
253.09891	0.6
254.06610	0.5
255.07730	1.1
255.11389	1.1
256.08429	0.6
265.05914	0.4
265.09766	1.7
267.07742	3.1
267.11319	1.0
268.08490	3.3
268.11462	0.6
271.10901	0.5
279.07794	0.6
279.11420	0.9
280.08493	1.3
281.09320	1.4
281.12604	0.5
281.74637	0.4
282.10123	0.4
283.10867	43.2
284.11264	2.2
293.09341	0.5
295.10873	8.6
296.11578	2.7
297.12500	0.5
307.10965	1.0
309.08865	0.9
315.13538	0.8
325.11841	1.7
339.13580	1.2
388.20233	1.1
390.17972	0.5
402.17917	0.8
404.19931	3.0
405.20343	0.4
416.16089	0.5
417.16620	0.7
430.17682	2.5
432.19232	25.0
433.19519	2.6
458.16989	1.8
464.21716	1.1
476.18231	100.0
477.18582	9.8
508.20868	35.4
508.28717	0.7
509.21280	3.3
571.28058	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	571.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.2
61.98827	20.4
66.08771	1.3
69.24965	10.5
71.01344	1.1
101.02407	2.2
105.26008	1.2
108.08167	4.5
121.05300	3.1
122.06128	3.0
132.04555	7.7
134.06117	1.9
136.07680	97.2
144.04567	1.5
150.05643	1.8
153.04337	1.9
153.16628	1.2
158.02443	2.1
158.21521	1.1
160.03990	5.9
162.05548	1.7
176.03508	6.0
190.03737	1.6
190.05133	15.2
191.05774	1.2
215.11816	2.0
223.08742	4.5
224.09462	3.2
239.11877	11.9
240.10291	3.1
241.09921	2.6
251.11873	4.2
253.06111	3.5
265.09622	1.9
267.07761	2.3
268.08539	1.9
283.10876	47.7
295.10901	10.6
296.11551	4.9
307.10742	2.4
325.11859	5.1
339.13318	4.8
404.19586	3.8
430.17554	1.9
432.19272	27.1
433.19403	1.9
442.76962	1.4
458.17206	1.9
464.21765	5.0
476.18253	70.0
477.18295	4.7
508.20844	100.0
509.21231	10.8
526.35919	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	571.2885
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
59.01358	0.8
61.98823	3.3
78.91891	2.3
78.95902	59.1
96.96968	13.1
98.20756	1.4
146.13457	0.6
152.99583	58.8
171.00685	1.0
193.40437	0.8
223.00102	2.0
241.01186	32.8
255.23285	72.3
256.23608	3.1
315.04825	8.4
316.05176	0.8
391.22455	4.2
465.27316	0.7
571.28857	100.0
572.29138	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45606	0.3
55.01872	0.5
57.03444	0.6
57.15147	0.3
59.01378	100.0
60.01723	0.5
61.98833	1.8
65.17970	0.3
66.50800	0.3
69.26227	1.5
69.26650	1.2
71.01385	6.0
73.02938	2.0
83.01396	1.0
85.02945	3.6
87.00871	0.3
89.02486	0.8
94.01118	0.3
95.01373	0.5
99.00894	1.1
101.02444	4.8
113.02453	2.8
116.92854	0.7
117.40549	0.3
119.05070	0.3
125.02483	0.4
127.70469	0.3
129.01891	0.4
159.03055	0.3
161.04590	1.7
182.91063	0.3
236.09233	0.3
243.12521	0.3
276.96524	0.3
309.98602	0.3
351.14618	0.3
351.76822	0.3
373.25912	10.6
374.26251	0.5
467.30112	0.7
485.31216	3.9
527.32196	4.7
528.32526	0.4
529.30402	0.8
571.21289	0.3
571.29108	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34317	2.5
59.01379	100.0
61.98832	28.4
69.28020	21.1
71.01370	7.2
83.01390	2.6
85.02943	7.1
88.21164	2.7
89.91572	2.4
99.92592	3.1
101.02427	3.9
113.02461	4.0
115.92099	2.9
116.92879	10.0
145.11673	2.4
149.06046	4.5
160.84177	3.1
209.11914	2.5
210.14645	2.4
287.15091	4.8
335.07822	2.5
354.84711	2.9
403.04694	3.7
467.30069	8.2
485.31104	8.3
571.30023	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	571.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01380	100.0
61.98832	11.6
62.92469	0.7
64.21564	0.6
68.80796	0.7
71.01383	9.3
71.52850	0.8
73.02956	3.1
78.95910	1.8
83.01395	1.8
85.02959	5.3
88.98814	1.1
89.02456	2.1
97.06593	0.6
99.00880	1.5
99.04440	0.8
101.02465	7.8
113.01825	0.7
113.02436	4.1
116.92884	0.9
117.48001	0.8
119.03586	1.0
125.02454	1.2
128.95929	0.7
136.07658	1.0
152.99582	1.3
161.04601	2.8
171.10352	1.4
174.01740	0.7
225.14978	1.0
227.03566	1.8
255.02959	4.0
284.03241	3.6
285.04041	4.9
343.25021	1.2
449.29117	1.5
467.30106	11.8
467.36145	0.9
485.31131	8.4
486.31595	0.9
511.29926	1.0
527.24847	1.3
527.32147	8.3
545.58948	0.7
571.18579	2.9
571.29358	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	573.2914
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
55.01880	1.6
58.00601	2.2
59.01381	52.0
61.98832	16.2
62.87443	1.0
66.99681	0.9
69.20184	2.9
69.20599	6.4
71.01385	46.7
72.99303	2.4
73.02947	11.7
83.01373	2.9
85.02946	6.7
87.00874	1.6
89.02447	60.5
95.01389	1.6
96.16629	1.0
97.02956	2.0
98.79848	1.2
99.00273	1.5
99.00886	18.3
99.04531	1.5
101.02441	30.8
111.00896	1.2
113.02454	11.8
119.03522	7.2
120.58962	1.0
125.02441	3.1
131.03496	9.3
137.02441	1.6
149.04559	36.7
152.99574	1.3
158.58455	1.0
161.04517	4.3
179.05630	2.1
191.05617	7.4
221.06689	2.8
233.87164	0.9
251.07713	4.4
293.08679	2.9
311.09842	1.7
381.22733	2.5
466.54205	1.1
513.27014	100.0
514.27301	6.8
575.76007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59340	0.8
59.01378	100.0
61.98830	7.6
69.57684	4.8
70.96925	0.7
71.01382	12.8
73.02951	7.6
83.01403	2.6
85.02960	3.3
89.02451	8.0
95.01437	1.2
98.19910	1.6
101.02445	7.6
113.02435	9.2
119.03503	2.0
131.03554	1.2
137.02490	0.8
149.04572	1.6
161.04626	2.6
167.81349	0.9
170.82217	0.8
179.05713	1.2
218.50125	0.7
281.74106	0.8
284.87576	0.7
303.84863	0.7
364.98898	0.8
469.31989	2.1
487.32907	2.7
513.27313	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	574.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54181	1.2
59.01373	1.6
61.98837	8.0
71.01386	11.7
71.52353	1.6
72.99311	1.5
83.01418	1.3
89.02423	2.0
115.00362	29.6
116.92865	1.6
119.05028	21.8
128.03554	1.5
133.01428	100.0
134.01836	1.2
163.04008	30.9
173.42575	1.4
231.07271	1.2
233.19826	1.2
257.91922	1.4
279.05222	2.6
574.29871	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63099	0.5
57.03439	1.2
61.98825	1.8
63.02401	0.7
65.00313	0.6
69.26728	2.9
69.27149	1.4
93.03490	0.7
99.04501	0.7
101.02463	0.6
107.01382	2.0
108.09661	0.5
116.92832	0.8
117.03443	0.5
132.02179	1.0
135.00883	1.5
151.00349	2.0
163.00360	1.5
165.38504	0.5
169.42987	0.5
173.35999	0.5
183.04411	0.9
185.06084	1.0
187.03993	1.1
190.99789	0.8
199.04022	1.2
211.03979	2.1
213.05597	0.7
227.03496	31.9
228.03937	1.7
229.05043	4.6
239.03468	1.3
241.05237	0.7
255.02977	70.8
256.03531	5.3
257.04507	2.7
283.02521	1.5
284.03250	100.0
285.03995	42.4
286.04340	2.3
410.77518	0.5
471.09241	3.4
489.10095	0.8
531.11414	68.7
532.11780	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	575.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
58.87231	0.6
59.01364	12.8
60.81477	0.6
61.98822	6.0
69.33709	1.3
69.34122	3.8
72.23596	0.6
72.26692	0.6
73.02947	1.4
83.01388	1.1
85.02975	1.1
89.02439	0.8
92.12302	0.6
95.01375	0.8
98.20726	1.1
99.04521	1.1
101.02431	2.3
107.01382	1.5
113.02463	1.0
116.92851	1.9
119.05016	3.6
125.02469	1.2
132.02118	1.2
135.00893	1.6
151.00374	2.1
159.04474	1.0
163.00337	1.6
163.04001	2.7
183.04474	1.8
185.06070	1.1
187.03943	2.0
189.05493	0.9
199.03976	1.0
209.35135	0.6
211.03947	1.8
213.05548	1.3
227.03500	28.0
227.05762	1.4
228.03831	1.3
229.04997	7.0
239.03514	1.4
255.02989	65.5
256.03564	4.6
257.04559	3.2
283.02432	5.0
284.03256	100.0
285.04013	74.5
286.04407	3.3
371.24295	1.3
471.09140	3.3
489.10367	1.3
531.11389	43.9
531.28082	8.3
532.12000	2.7
549.73077	0.8
575.30206	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	575.1415
Annotation	Maysin
Peak:m/z	Relative Intensity
57.03449	1.2
59.01386	10.1
71.01377	4.0
73.02934	3.2
78.95909	2.4
85.02924	1.8
87.00893	1.6
89.02431	3.5
96.01016	1.2
101.02431	2.5
103.00360	4.0
113.02385	1.1
117.03457	4.6
119.05015	1.8
133.03012	1.3
135.04514	1.3
145.02875	1.2
161.02286	2.4
163.03981	2.2
163.06091	4.8
163.41092	1.1
165.67979	1.3
177.01881	2.3
191.03432	1.8
203.03537	1.5
205.04965	1.7
207.03053	2.8
229.56317	1.3
257.31381	1.3
267.06665	1.5
272.61469	1.1
281.04440	2.2
282.05515	2.4
283.06085	10.1
295.06122	8.5
296.06808	2.2
297.07693	13.7
307.06094	2.8
309.07455	1.9
311.05603	9.6
323.05704	5.6
325.07129	6.5
328.05933	1.4
339.04913	1.8
341.06534	2.9
351.05249	6.1
353.06644	30.3
354.06851	1.8
365.06439	2.5
369.06128	17.1
381.06097	2.7
383.07715	13.2
395.07886	1.7
399.07071	8.7
400.07510	1.4
431.09476	1.8
455.09937	3.5
459.09262	1.4
473.10745	14.1
487.08789	2.5
489.10397	24.3
533.18146	4.3
557.13434	2.3
575.13983	100.0
576.14148	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	575.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68797	1.1
54.33568	0.9
54.41948	1.1
57.03447	1.3
58.00580	3.2
59.01377	92.1
60.01684	1.2
60.20758	0.9
69.92822	1.2
71.01379	30.5
71.30418	1.9
72.99298	4.2
73.02944	36.3
83.01399	1.8
85.02956	13.2
86.00105	1.6
87.00865	8.8
87.04517	2.9
89.02444	29.0
96.95996	3.5
99.00827	1.3
99.04484	3.0
101.02439	58.6
103.00368	2.3
103.04010	27.3
113.02423	3.9
115.03978	5.1
116.92881	1.1
117.03473	1.3
119.03513	10.8
125.02419	3.1
127.03954	3.1
131.03485	8.0
134.16454	1.1
137.09718	1.9
143.03494	10.3
145.05051	9.0
161.04543	1.6
163.06117	100.0
164.06494	1.9
167.45946	1.2
202.58586	1.0
205.07141	18.9
235.08208	1.2
239.12808	3.9
250.03056	1.2
265.09283	6.9
278.17700	1.2
283.06155	2.3
289.09430	1.5
297.07510	2.9
307.10263	1.7
311.05573	3.5
325.11288	1.9
351.05487	1.3
353.06592	4.2
369.06158	1.4
383.07629	2.0
399.07123	1.4
473.10901	2.5
489.10104	2.1
575.13916	10.9
576.14563	1.6
584.71338	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
59.01380	12.6
61.98818	1.6
66.99682	0.4
67.12385	0.3
70.69296	0.8
70.69640	0.7
71.01392	2.3
73.02935	0.8
73.09467	0.4
74.62800	0.3
88.90216	0.3
89.02457	1.9
94.80386	0.3
100.94353	0.3
101.02442	2.5
113.02516	1.8
119.03476	0.8
123.32369	0.4
143.03488	0.4
150.31123	0.3
161.04549	1.0
179.05600	0.4
235.08257	1.6
253.09285	12.9
254.09816	0.4
279.23285	100.0
280.23611	4.5
308.85321	0.4
434.55267	0.4
598.83783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85586	1.2
59.01380	100.0
61.98830	36.6
63.92716	1.2
67.78722	1.3
69.85571	6.9
71.01383	18.2
72.99297	1.3
73.02935	6.9
76.70869	1.1
83.01392	3.4
85.02954	5.2
89.02443	12.8
95.01393	1.8
99.00867	1.5
101.02448	10.2
113.02464	10.0
119.03493	2.6
131.03542	1.6
149.04503	1.9
161.04585	3.2
171.10320	1.7
174.01727	2.0
311.33310	1.2
326.08768	1.4
383.24365	1.8
447.48047	1.2
471.33173	7.1
489.34384	3.6
515.28522	13.2
539.26123	1.8
565.52887	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	576.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02585	0.7
57.02838	0.8
57.03162	0.9
57.03451	24.4
59.01380	20.5
61.98830	100.0
69.31711	4.1
69.56780	0.5
71.01378	7.5
72.99334	0.9
73.02946	6.2
75.11068	0.5
76.84960	0.5
77.28650	0.4
80.71081	0.5
82.71238	0.5
83.01403	2.3
85.02965	1.6
87.47779	0.6
89.02444	3.0
94.49927	0.6
97.06584	0.6
98.20600	1.3
99.04525	24.7
100.04899	0.6
101.02440	14.4
103.00388	0.8
113.02456	5.6
113.06116	1.0
119.03513	1.3
119.05105	0.5
123.04530	5.1
125.02451	12.6
125.03342	1.0
131.03548	1.1
141.05632	0.7
143.03503	3.0
149.04530	2.5
153.05602	0.8
161.04549	5.3
179.05585	0.9
221.06723	2.3
256.03354	0.8
284.03354	0.6
285.03766	1.2
372.46738	0.6
469.24335	0.7
513.23407	15.2
514.24152	1.6
532.28778	1.8
576.31805	2.3
577.32947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75659	0.3
57.02571	0.8
57.02874	1.4
57.03452	21.3
59.01380	19.3
60.01717	0.4
61.98832	100.0
71.01379	6.2
71.01739	0.6
73.02949	5.9
81.03458	0.5
83.01422	1.7
84.57586	0.4
85.02962	1.1
87.00878	0.6
88.98822	0.3
89.02441	2.9
93.31937	0.3
95.01389	0.6
97.06619	0.8
99.04523	23.3
100.04848	0.4
101.02448	11.8
101.03110	0.7
109.06592	0.5
113.02444	4.2
113.06126	0.7
119.03486	2.4
123.04534	5.1
125.02448	11.4
125.09671	0.7
126.02788	0.6
131.03497	0.6
136.07675	0.5
141.05550	0.9
143.03510	2.5
149.04562	2.1
153.05609	1.1
161.04533	4.6
171.10289	0.9
179.05646	1.0
180.04057	0.3
187.09753	0.4
187.59846	0.4
203.05612	0.4
206.99870	3.2
210.33400	0.4
221.06639	2.1
239.12144	0.4
261.09885	0.6
294.17157	0.4
305.08920	0.6
513.10651	0.9
513.23395	23.8
514.23877	2.1
515.32520	0.7
516.32489	2.7
517.33636	0.4
530.27100	0.9
534.33722	1.1
547.62085	0.5
576.34851	0.5
577.28839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00175	0.2
59.01378	0.7
61.98830	100.0
62.98104	0.1
70.45745	0.3
70.46106	0.4
71.01402	0.2
89.02467	0.4
114.70549	0.2
116.92943	0.2
149.06178	0.2
156.17661	0.1
193.31099	0.2
217.05035	0.2
217.69952	0.2
266.62354	0.2
313.37906	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.2
61.98830	100.0
68.33540	0.2
71.01387	0.2
78.98621	0.2
79.69135	0.2
79.95723	0.2
80.96516	1.3
85.79688	0.2
94.98119	0.2
117.59517	0.1
152.98549	0.2
164.98589	0.2
169.27232	0.2
216.60034	0.2
225.00821	0.3
278.22040	0.3
388.34091	0.2
577.26801	3.0
593.00348	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75150	0.2
59.01393	0.2
61.98830	100.0
62.98523	0.2
71.01379	0.4
78.98566	0.3
79.95754	0.7
80.96519	4.1
94.69022	0.2
94.98101	0.6
98.20744	0.4
106.98074	0.3
147.55228	0.2
148.99135	0.3
152.98738	0.4
164.98668	0.7
182.74998	0.2
225.00815	0.6
277.21854	0.2
278.22064	0.4
279.22455	0.3
280.22861	0.2
299.04337	0.3
577.26868	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	576.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.7
61.98820	0.5
62.71009	0.2
65.59703	0.2
69.67356	1.0
71.01418	0.2
71.08627	0.2
71.15387	0.2
76.98395	0.2
78.95903	6.3
90.45837	0.2
98.20630	0.3
113.05968	0.2
115.39870	0.2
118.26150	0.2
118.27093	0.2
152.99615	2.1
155.67796	0.2
168.04300	1.6
224.06932	1.1
233.22719	0.6
242.07973	3.4
251.53853	0.2
259.20694	0.6
275.20105	0.5
277.21704	100.0
278.22049	5.2
325.53250	0.2
474.25894	0.2
502.29382	43.8
503.29819	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	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	24.9
61.98835	0.7
69.19460	3.4
78.95902	24.0
152.99579	4.5
155.91559	0.4
168.04332	4.3
224.06923	9.6
242.07979	2.3
275.20337	0.4
277.21707	100.0
278.22095	4.9
401.37057	0.4
418.32199	0.4
502.29376	94.1
503.29721	6.3
551.93976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41445	0.8
55.33876	0.9
57.03429	1.3
58.00590	2.4
59.01379	66.6
61.98822	3.9
65.06546	1.1
66.13525	0.8
71.01380	45.1
71.52158	1.2
72.22514	1.0
72.99303	2.3
73.02946	13.5
83.01410	1.0
85.02943	6.5
89.02444	100.0
89.53851	0.9
95.98470	0.9
96.95988	1.3
97.02958	1.1
99.00881	30.8
99.04489	1.1
101.02441	43.7
103.00359	2.1
113.02415	7.3
115.03960	1.2
119.03477	3.8
125.02468	4.7
131.03497	14.4
143.03474	5.9
149.04550	77.9
150.81403	0.9
153.29245	0.9
158.10040	0.9
161.04533	6.0
163.04028	1.1
191.05608	20.5
205.12335	1.4
221.06622	10.8
251.07701	5.3
260.16873	1.0
290.09567	0.9
293.08713	8.6
311.09860	10.7
326.81143	0.8
577.11945	2.0
577.20490	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	577.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.6
58.00591	1.5
59.01378	69.4
61.98829	5.9
63.84515	0.9
68.99564	1.3
69.03452	0.9
69.38419	6.3
71.01379	45.6
72.99306	2.3
73.02943	14.7
82.21590	0.6
83.01389	0.9
83.27946	0.7
85.02945	4.9
87.00848	1.2
87.48168	0.7
89.02442	100.0
97.02960	1.8
98.19883	1.0
99.00880	29.3
101.02441	47.0
103.00368	0.9
112.98557	2.1
113.02446	7.7
115.03966	1.9
116.24345	0.8
119.03516	3.0
125.02454	3.8
131.03496	16.4
143.03485	5.8
149.04550	85.1
150.04848	1.8
161.04594	6.0
191.05611	20.6
192.57774	0.9
221.06644	12.4
247.23232	0.8
251.07761	7.8
275.07751	1.3
281.08829	1.2
293.08771	6.2
311.09839	11.7
577.14386	0.9
577.29260	2.1
578.28473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99610	0.4
54.14738	0.3
59.01392	0.8
61.98830	11.7
63.96235	0.9
68.89053	0.3
69.03459	0.7
70.00335	0.7
70.00726	0.7
71.01382	6.0
73.02955	1.3
78.98591	5.5
79.95729	8.9
80.96515	57.9
81.03474	0.7
85.02946	2.6
87.00865	2.1
94.98087	15.0
96.96020	0.8
97.02939	1.6
99.00891	0.6
101.02440	1.6
106.98086	3.2
122.97567	2.2
125.02467	2.2
127.03973	0.5
134.97594	4.4
136.99136	1.2
142.71193	0.4
146.97580	0.4
148.99127	5.9
152.98634	4.4
164.98624	9.8
167.00224	0.5
206.99646	2.1
225.00735	11.9
277.21664	1.0
299.04327	2.5
577.26843	100.0
578.27130	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	577.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.1
59.01380	20.1
61.98830	34.5
69.03452	1.2
69.50950	1.7
69.51348	5.1
71.01384	9.7
72.57557	0.7
72.99284	1.0
73.02944	2.0
81.03461	0.8
83.01377	1.5
83.04989	0.8
84.02168	5.1
85.02946	2.5
87.00878	1.2
88.98797	0.8
89.02443	7.5
95.01420	1.1
95.04936	0.8
97.02952	1.1
97.06583	5.7
99.04513	3.4
99.92567	0.8
101.02436	7.9
113.02460	4.6
116.92850	3.3
119.03469	1.6
119.05019	9.6
125.09700	2.1
129.38269	0.7
129.89743	0.7
144.20595	0.8
153.12814	4.5
157.12314	6.2
161.04565	3.1
163.04008	6.0
171.10268	19.7
171.74161	0.7
182.13054	1.0
183.13951	1.1
185.84184	0.7
193.12309	9.0
207.13864	1.3
209.11819	0.9
211.13383	2.2
221.11903	1.6
225.14935	14.9
243.15982	5.6
253.09277	29.3
253.14465	1.0
291.19580	2.3
311.25955	4.2
341.23291	100.0
342.23685	4.6
355.24872	28.3
355.29291	1.3
356.25183	1.9
360.59271	0.8
379.24628	1.0
394.11795	0.8
455.15305	0.8
516.32147	1.1
517.32806	2.6
533.29889	0.9
535.34387	0.9
577.14368	1.1
577.22870	2.8
577.35138	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	578.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	33.6
59.01381	55.3
60.01698	0.9
61.98831	100.0
69.14504	3.9
69.14936	3.1
71.01384	10.1
73.02944	3.5
75.00899	0.7
76.87766	0.9
79.05581	0.7
81.03464	1.1
83.01403	3.0
85.02963	5.1
87.00898	1.0
89.02460	3.1
95.01365	1.3
99.00879	1.7
99.04520	50.3
101.02446	16.2
113.02435	3.8
119.03469	1.3
125.02445	27.8
125.03334	1.4
143.03490	4.5
146.06107	1.0
161.04556	3.4
161.05757	0.8
221.99449	0.7
225.40923	0.7
253.05272	1.3
353.19809	2.8
371.20651	8.9
391.50769	0.7
413.21857	13.2
453.25064	2.3
471.26157	1.4
515.24939	28.0
516.25201	1.9
519.31305	0.8
534.29376	1.2
578.32690	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	578.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
61.98830	100.0
69.22808	0.4
69.23237	0.5
71.01387	0.2
78.93360	0.1
78.98600	0.1
79.95738	0.2
80.96508	1.5
80.96954	0.1
94.98107	0.2
98.19944	0.2
101.02440	0.1
115.53835	0.1
116.34895	0.1
133.01585	0.1
148.99117	0.1
164.98660	0.2
214.45538	0.1
225.00810	0.4
240.73634	0.1
253.09244	0.1
279.23370	0.4
280.23499	0.6
281.23999	0.2
300.76306	0.1
536.36548	0.2
579.28363	2.1
579.36572	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	578.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98829	100.0
63.96251	0.3
67.80882	0.3
71.01378	2.0
71.47598	0.3
73.02953	0.4
78.98573	1.8
79.72866	0.3
79.95730	2.3
80.96517	15.0
81.03484	0.3
85.02963	1.1
87.00874	0.7
94.98079	3.6
96.96061	0.3
97.02955	0.5
101.02512	0.6
106.98106	0.6
122.97598	0.9
125.02483	0.7
134.97598	1.0
148.99164	1.3
152.98660	1.2
164.98642	2.8
167.00203	0.4
206.99762	0.9
225.00731	4.0
279.23392	1.1
280.23627	0.4
281.23898	0.5
292.46616	0.4
299.04556	0.9
319.91409	0.3
579.28406	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	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55496	0.2
52.45477	0.2
59.01378	15.8
69.99137	0.9
71.01368	0.2
78.95901	5.4
79.95709	0.4
80.96509	2.1
84.01351	0.2
85.02898	0.2
94.57722	0.2
94.98074	0.5
135.90059	0.2
152.99606	1.1
164.98621	0.3
168.04277	1.4
224.06920	0.9
225.00690	0.5
242.07928	2.6
261.22211	0.5
279.23270	100.0
280.23618	5.0
463.34372	0.3
504.30954	36.3
505.31293	2.7
519.26996	0.3
578.27228	4.0
579.27295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24931	0.4
59.01379	22.0
61.98829	1.0
64.98758	0.4
71.01384	1.6
71.21628	0.9
78.95905	21.6
78.98592	1.2
79.95736	2.1
80.96519	12.4
82.96090	0.6
94.98096	2.0
95.00109	0.4
98.62721	0.4
106.98117	0.5
117.51908	0.4
122.97589	0.8
122.98476	0.5
134.97566	0.8
148.99141	1.2
152.98650	0.8
152.99588	2.3
164.98648	1.6
165.98882	0.4
168.04332	3.3
192.80405	0.4
199.86443	0.4
205.15796	0.4
224.06924	9.2
225.00706	2.6
225.07173	0.5
226.00821	0.5
242.07951	1.6
260.70193	0.4
278.21973	0.5
279.23288	100.0
280.23593	5.1
504.30963	68.4
505.31192	6.6
560.83710	0.4
578.27155	19.9
579.26947	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	578.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42448	0.3
60.38795	0.3
61.98830	100.0
63.38939	0.4
70.51201	1.0
85.25852	0.3
98.20009	0.4
117.62732	0.4
160.70230	0.4
194.14192	0.3
197.11813	0.5
202.81815	0.3
204.76064	0.4
284.87256	0.4
578.38202	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74372	1.7
57.03435	2.2
59.01379	14.2
61.98833	17.6
65.00320	1.9
68.58124	1.7
71.01378	7.4
71.13150	1.8
71.17091	1.7
71.51995	2.9
73.02940	3.3
75.00852	7.1
85.02954	2.5
89.02438	5.2
101.02443	8.6
103.00402	2.0
103.04097	1.7
110.00100	3.1
113.02434	2.9
139.00363	2.9
139.04024	2.2
149.02412	5.7
163.06128	1.8
164.98251	5.2
165.98999	4.8
175.00328	6.9
177.99054	4.5
178.99820	2.7
189.01797	1.8
199.03941	1.9
215.03479	4.4
227.03537	4.7
229.05080	2.2
231.02953	5.8
243.02962	7.5
255.02904	3.2
259.02441	3.6
270.01801	2.6
271.02408	13.5
284.03177	4.1
285.03952	5.1
287.01965	33.2
295.93839	2.0
315.01443	84.5
316.02145	22.2
330.03784	44.1
331.04562	26.5
433.24634	2.3
446.49261	1.9
493.09860	4.2
494.44006	2.1
519.25000	2.3
535.10925	100.0
536.11383	9.2
578.26178	3.8
579.13550	7.2
579.28418	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	579.1351
Annotation	Neocarlinoside
Peak:m/z	Relative Intensity
58.00583	0.5
59.01379	6.2
61.98824	2.8
70.83694	0.9
70.84010	0.5
71.01381	5.8
73.02950	2.2
78.92554	0.4
82.50658	0.4
83.01352	0.5
85.02940	1.0
85.03400	0.4
89.02448	6.4
97.02943	0.7
99.00851	1.7
101.02433	3.8
109.02953	1.5
113.02450	0.8
119.03521	0.6
120.92912	0.5
123.08143	1.2
125.02445	1.1
131.03500	1.0
133.02954	8.7
133.06602	0.5
135.04507	1.6
137.02448	1.0
149.02425	1.0
149.04536	3.4
151.03979	0.6
159.04495	0.6
160.68236	0.4
161.02379	1.1
161.04428	0.7
163.03978	1.0
163.11258	1.8
175.03969	2.4
177.01901	1.9
177.05545	0.9
179.03516	0.9
182.12459	0.4
189.01848	0.8
189.05583	0.8
189.12796	1.2
191.03615	0.5
191.05540	0.8
201.01917	1.1
203.03447	1.3
205.01411	0.5
205.05150	0.6
207.02911	0.4
207.13890	1.0
213.05554	0.9
217.05023	0.8
219.03119	0.5
221.06682	0.4
233.04536	0.8
233.06625	0.7
239.07198	0.7
241.05049	0.8
245.04636	0.5
251.07469	0.6
253.04994	0.8
265.05109	0.6
267.06537	1.0
269.04514	0.8
270.05026	0.5
283.06015	1.4
284.03159	0.5
284.06812	0.7
285.04108	0.5
293.08649	0.9
295.06113	0.6
297.04019	2.9
298.04773	6.6
299.05502	2.4
309.04001	1.2
310.04510	0.9
311.05582	6.3
312.06375	7.5
313.07104	8.3
323.05539	2.0
325.07043	1.0
327.05005	5.4
338.04178	0.5
339.05038	11.3
340.05640	0.7
341.06647	6.7
344.05402	0.6
345.25278	0.5
351.05054	1.3
353.06622	3.0
357.06012	1.4
367.04309	0.9
369.06122	42.3
370.06476	2.5
371.07724	0.7
381.06125	5.7
383.07739	1.0
395.07907	1.0
399.07172	32.4
400.07477	2.9
405.06158	0.6
411.07156	5.7
413.08786	0.9
423.07074	1.1
429.08176	5.4
441.08401	2.3
453.07935	1.1
459.09317	8.5
460.09589	0.8
471.09326	1.6
489.10376	22.3
490.10620	1.1
519.11975	4.0
519.24420	15.0
520.24829	0.8
561.12183	3.2
579.13507	100.0
580.13800	8.7
595.01019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29117	0.3
57.67607	0.3
58.02976	6.8
59.01382	2.0
59.01610	0.3
61.98819	1.2
69.87309	1.6
70.02983	5.4
71.01376	2.1
72.00894	1.8
72.04541	1.5
73.02938	0.8
74.02473	33.5
85.02950	0.3
86.02484	1.1
89.02430	1.2
89.81791	0.3
94.08580	0.3
98.02474	8.1
99.00876	0.5
101.02427	1.4
113.02405	0.5
116.03550	9.9
116.05051	12.7
130.06616	1.0
142.06610	3.4
149.04604	0.6
159.09259	2.9
159.84300	0.3
161.04523	0.5
183.09192	0.8
186.05641	0.8
201.10315	3.2
203.08250	37.5
204.08582	1.3
221.06602	0.4
225.14934	0.4
245.09291	100.0
246.09598	4.0
266.50620	0.4
289.08359	0.4
475.22028	0.4
519.24347	7.1
588.03809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.1
59.01378	61.9
61.98829	67.7
63.06400	4.0
65.30636	4.3
70.78649	12.0
71.01381	32.9
73.02955	28.2
83.01407	6.7
85.02958	6.1
88.98804	24.8
89.02443	18.4
89.86026	5.2
99.04486	5.0
101.02443	100.0
107.60472	4.7
113.02457	11.8
125.02395	9.1
139.11322	25.1
143.03477	11.7
145.03058	4.4
154.08406	4.0
181.12373	6.8
183.10251	34.1
225.11317	23.9
238.47319	4.4
241.60548	4.7
243.12340	39.2
267.12018	5.5
281.13986	6.9
285.13260	9.2
286.49878	4.9
288.79205	4.2
323.33167	4.7
327.14462	17.0
345.15378	8.9
405.17438	5.8
429.17719	11.6
489.19656	25.1
501.30878	6.0
516.20544	28.1
519.31665	64.3
520.32294	4.6
589.31281	5.0
597.99127	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	579.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.3
61.98830	100.0
64.84383	5.8
70.08489	24.3
71.56887	5.2
75.90890	5.7
96.96048	11.8
99.49276	6.2
116.92835	9.6
187.41093	5.8
194.91467	6.9
305.27032	7.6
359.14282	5.8
374.66574	6.0
392.94904	5.8
579.25366	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	579.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	17.4
61.98824	100.0
71.21426	9.7
71.21797	11.9
82.49931	6.9
96.96001	17.6
116.92841	8.0
129.52190	7.4
140.77374	6.4
157.40315	7.7
192.68474	7.0
203.99744	7.8
289.18021	15.0
293.02820	7.6
307.19049	8.5
415.10928	7.5
450.69211	7.1
579.25513	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	579.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	8.0
59.01386	20.2
61.98833	100.0
63.05392	3.3
69.31010	13.3
69.31439	16.1
71.01382	13.0
72.61820	3.0
73.02937	5.9
76.19754	3.7
85.02938	5.5
88.98815	6.7
89.02423	5.5
90.17323	2.9
96.96016	4.8
99.04483	6.5
101.02451	8.4
132.14153	3.9
161.04483	4.9
171.10222	3.6
209.74738	3.4
211.13347	4.1
253.09293	5.5
343.24954	22.1
543.28052	21.8
579.25787	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	579.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01081	3.2
56.59447	3.5
57.03438	5.6
59.01379	31.3
61.98831	100.0
70.08263	12.2
71.01376	12.1
75.72887	4.2
89.02438	5.4
99.04507	7.1
101.02438	7.2
113.02431	5.7
116.92862	6.3
122.82234	3.9
171.10161	5.9
215.56355	3.6
253.09293	4.4
253.35666	3.6
291.88165	4.2
343.24658	7.6
381.69891	4.3
399.62122	4.5
519.31537	4.2
579.25549	36.5
580.27124	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	579.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69627	0.7
57.03443	2.8
59.01379	22.3
61.98829	12.0
64.58248	0.9
69.03462	1.2
69.68541	4.7
71.01382	27.4
71.05045	0.9
73.02940	8.1
74.99094	1.9
75.00869	1.0
83.01393	2.7
85.02941	6.9
87.00887	1.9
87.04487	1.0
88.98774	0.9
89.02443	23.8
97.02936	2.8
98.20706	1.5
99.00891	6.0
99.04508	3.2
101.02447	15.5
103.00384	1.2
113.02466	6.0
115.04018	2.2
119.03575	1.7
120.01183	0.9
125.02438	5.6
131.03490	3.7
133.01447	0.9
136.99185	3.4
138.06847	5.2
143.03528	1.6
149.04527	3.6
153.09215	19.2
161.04532	3.4
168.39436	1.0
191.05528	2.5
207.13908	2.0
221.22232	0.8
225.14952	21.7
230.27908	0.9
233.06648	3.4
280.96140	1.0
285.17035	4.7
293.08728	3.4
357.79776	0.8
369.05960	1.3
387.20126	3.3
519.24445	100.0
520.24713	9.0
579.13080	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
63.96228	0.6
69.03473	0.6
70.51785	1.3
71.01380	6.8
73.02949	1.5
75.61950	0.5
78.98592	5.3
79.95740	9.1
80.85020	0.4
80.96516	58.0
81.03448	0.7
83.01364	0.5
85.02954	2.8
87.00856	2.5
94.98093	13.8
96.96020	1.9
97.02972	1.3
101.02439	2.1
106.98096	2.9
122.97600	2.3
125.02428	2.1
127.04025	0.9
130.52040	0.4
134.97601	4.1
136.99170	1.1
148.99120	5.4
152.98643	4.4
164.98634	9.9
167.00235	0.5
179.00185	0.4
194.76387	0.4
206.99728	2.0
223.19565	0.4
225.00743	12.8
234.96410	0.5
279.23346	1.4
285.79160	0.4
299.04489	2.2
354.73834	0.5
453.72427	0.5
544.98059	0.5
579.28418	100.0
580.28778	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19514	1.1
55.01859	4.6
57.03437	3.0
58.00561	1.7
59.01381	51.7
60.36025	1.0
61.98597	0.8
61.98833	9.2
69.03449	1.5
71.01384	48.2
71.51640	1.1
72.99307	2.7
73.02949	21.7
75.00877	1.2
83.01393	12.0
85.02954	21.9
87.00874	3.7
89.02446	12.6
95.01366	2.7
97.02937	2.8
99.00877	5.4
99.04527	1.1
101.02448	42.1
102.02785	1.3
103.00356	2.0
103.03989	3.5
113.02450	16.8
115.04004	1.4
117.08163	1.1
119.03493	3.6
121.37586	0.9
125.02432	4.6
131.03497	1.2
143.03493	4.0
145.05093	2.2
156.59337	1.0
159.02933	2.9
161.04544	13.2
163.06082	9.4
201.40729	1.0
205.07108	1.8
211.16989	1.3
227.07069	3.8
243.15787	1.7
243.56522	1.1
247.08115	2.4
300.84286	1.1
307.10330	1.3
315.01465	3.1
330.03732	1.9
331.04462	1.1
373.22299	30.2
374.22681	1.5
408.43915	1.2
433.24542	5.0
461.18744	1.1
519.28101	100.0
520.28729	7.4
535.10376	1.9
579.16974	3.3
579.30609	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.2
61.98830	100.0
66.81538	0.1
69.22758	0.2
69.23167	0.7
78.95907	0.3
104.60486	0.1
117.20297	0.1
124.27182	0.1
151.12218	0.1
152.99623	0.3
243.54781	0.1
277.21677	1.6
277.24402	0.1
278.22073	0.5
279.22394	0.3
280.22656	0.3
381.55756	0.1
431.22311	0.1
462.17590	0.1
502.29321	0.9
503.29749	0.1
504.30652	0.1
505.30475	0.4
579.30756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
61.98828	100.0
75.83199	0.2
78.95892	0.8
83.17433	0.2
89.19746	0.2
148.54938	0.2
152.99574	0.3
204.80151	0.2
223.31052	0.2
277.21759	1.7
278.21997	0.4
279.22473	0.2
282.76791	0.2
363.25861	0.2
365.26611	0.2
431.22464	0.3
502.29285	1.3
504.30289	0.3
505.30521	0.6
579.30951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25106	1.8
56.17305	2.1
57.03432	2.4
59.01363	1.7
61.98819	4.2
62.20976	2.0
71.05014	4.9
83.04999	2.2
86.09079	1.8
97.02959	5.9
97.06554	3.9
98.20760	4.3
99.00873	23.7
99.85503	2.1
123.08170	3.0
125.09721	15.3
135.08095	2.0
138.31622	1.9
142.02640	2.2
153.12811	3.8
163.11298	23.4
164.11615	1.8
181.12338	62.6
199.13393	14.9
207.10233	40.5
225.11308	100.0
226.11710	2.4
228.83736	2.2
243.12325	48.7
279.23276	79.8
280.23572	5.0
299.14886	13.9
317.16019	40.5
378.78000	2.6
579.38989	76.8
580.39258	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	580.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
59.73205	0.2
61.98830	100.0
71.01391	0.6
71.52067	0.3
73.02943	0.2
74.99104	0.5
88.98824	0.2
89.02467	0.6
101.02470	0.5
103.00373	0.8
115.00398	0.2
125.02466	0.2
131.03545	0.2
136.99179	0.5
149.04584	0.2
167.03499	0.6
228.10374	0.5
243.12460	0.2
383.82700	0.2
447.14429	0.2
490.11447	0.2
491.12045	0.2
520.25165	0.2
521.25983	0.2
580.14178	0.6
580.22522	0.6
581.21521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.8
61.98829	100.0
65.35553	0.2
71.01379	1.1
71.10654	0.2
73.02956	0.4
78.61781	0.2
85.02956	0.3
89.02430	0.9
98.19884	0.5
99.00879	0.2
101.02460	0.6
103.00401	0.3
124.09483	0.2
125.02470	0.3
136.99120	0.2
149.04590	0.2
188.85695	0.2
209.04669	0.4
370.06525	0.4
400.07147	0.2
460.09772	0.2
490.11102	0.2
519.24359	0.3
520.24750	2.2
521.25708	1.4
535.76184	0.2
551.91595	0.2
580.13409	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.7
61.98829	100.0
62.98537	0.1
63.17442	0.1
63.85450	0.1
70.52238	0.2
71.01390	0.4
72.69585	0.1
73.02972	0.1
85.02976	0.1
89.02448	0.6
101.02460	0.5
103.00392	0.3
128.03615	0.1
131.03499	0.1
147.45226	0.1
149.04610	0.2
167.03580	0.1
172.25839	0.1
174.66515	0.1
192.81142	0.1
195.06660	0.2
196.07050	0.2
239.08322	0.1
254.53777	0.1
267.07751	0.3
315.32275	0.1
357.12296	0.2
358.12576	0.2
421.16226	0.1
447.14078	0.7
517.14929	0.4
580.25122	0.4
599.35297	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	580.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	17.4
59.01070	0.5
59.01379	20.3
61.98830	100.0
69.29380	3.4
69.66604	0.4
71.01382	4.1
73.02950	1.4
75.00891	0.3
81.03477	0.4
83.01385	0.8
85.02954	2.1
87.04562	0.4
89.02476	0.9
92.51003	0.4
98.20688	0.8
99.00879	0.5
99.04516	23.7
101.02438	8.5
113.02450	1.8
116.92868	0.6
125.02451	7.6
134.03770	0.4
143.03517	1.7
161.04474	1.9
193.05153	0.4
257.40738	0.4
355.10446	0.4
357.26443	1.0
358.26935	1.4
373.22269	4.2
415.23221	3.0
455.26788	0.9
517.26398	15.7
518.27216	1.5
526.90240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82491	0.2
52.26212	0.3
57.03445	1.0
58.99726	0.2
59.01384	5.0
61.98830	100.0
70.27039	1.0
71.01389	3.6
72.99306	0.4
73.02946	0.8
85.02953	1.6
87.30308	0.3
89.02449	2.0
95.01389	0.4
96.96026	0.4
99.00889	0.4
99.04504	0.4
101.02444	2.9
113.02438	1.6
116.92857	0.5
119.03519	0.5
125.02441	0.6
132.44135	0.3
151.42523	0.2
153.12892	0.3
211.64969	0.3
227.72452	0.3
236.76237	0.3
251.65894	0.3
311.25989	0.4
334.21228	0.3
357.26666	0.4
517.30188	32.4
518.30511	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	580.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
57.03448	0.7
59.01379	4.1
61.98830	100.0
63.93817	0.3
71.01381	4.4
72.99316	0.5
73.02953	1.4
75.00857	0.4
83.01411	0.8
85.02952	2.0
87.00916	0.5
88.98812	0.4
89.02462	1.0
95.01398	0.5
96.96024	1.3
97.02945	0.4
98.19917	0.5
99.00893	0.6
99.04561	0.4
101.02446	2.8
106.24585	0.2
111.00868	0.4
113.02425	1.4
116.92901	0.9
119.03590	0.3
119.05021	0.3
125.02510	0.4
143.03421	0.3
148.74925	0.2
161.04602	0.6
182.61235	0.3
243.12505	0.3
358.26797	0.3
499.29269	0.7
517.30188	30.7
518.30524	2.6
520.31842	0.4
548.13489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.1
61.98830	85.0
62.98541	1.0
62.99255	0.9
63.99255	9.0
71.01386	1.8
78.95898	5.9
78.96597	0.4
78.98604	1.4
79.95745	2.8
80.96516	15.3
81.96477	0.5
82.96095	0.6
85.02957	0.7
87.00888	0.6
93.14124	0.5
94.98077	3.1
96.97636	0.4
101.02468	0.5
106.98108	0.7
122.97576	1.1
134.97585	0.6
138.32741	0.4
141.92303	0.4
148.99156	0.9
152.98640	1.2
152.99667	0.8
154.14412	0.4
164.84291	0.5
164.98592	2.3
168.04379	1.4
176.75256	0.5
224.06921	0.9
225.00647	2.6
226.01065	1.8
242.08028	2.2
279.22974	0.5
281.24850	100.0
282.25198	4.9
299.04449	0.7
371.96460	0.5
379.47174	0.4
506.32513	39.5
507.32916	3.1
580.28772	29.2
581.28424	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	581.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78946	1.1
55.01899	1.2
56.35130	1.6
57.01887	1.2
57.03450	1.4
69.03472	1.7
69.42428	2.6
69.42838	5.9
71.01388	3.0
73.02946	1.2
81.03458	13.3
83.01392	11.4
93.03461	3.4
94.88528	1.1
95.01398	4.4
95.05023	7.3
96.61512	1.2
97.02948	8.4
98.19923	2.7
99.04512	5.7
101.02440	1.2
107.05029	2.5
109.02959	5.2
109.61726	1.2
110.05042	1.1
111.04516	4.8
112.98599	1.2
113.02445	4.8
117.03441	2.5
119.05031	2.1
121.02938	6.2
121.06597	1.7
123.00924	1.3
123.04525	26.8
125.02451	45.4
135.04527	4.9
137.02441	15.7
137.06053	4.1
139.04001	5.1
147.04506	2.2
149.02499	2.5
149.06046	1.5
151.04016	7.0
153.05588	5.9
155.03545	1.9
163.04024	3.0
165.01863	2.5
165.05556	4.1
167.03493	63.8
177.01953	1.9
177.05489	3.1
179.03517	15.8
181.05061	3.9
191.03502	2.5
193.05237	2.5
197.04573	19.8
206.02234	1.5
207.03033	1.4
209.04546	96.5
210.04919	2.1
221.04523	6.3
233.04692	1.5
239.05600	100.0
240.06021	4.6
251.05650	6.1
257.06564	1.3
269.06662	46.2
277.03418	2.0
281.06598	10.2
293.06720	1.5
299.07690	18.6
307.04471	1.6
311.07806	10.7
329.08813	15.6
341.08774	3.7
359.09763	2.3
371.07687	36.6
372.07761	2.3
383.07974	1.9
401.08704	33.5
402.09088	3.2
419.11945	13.2
431.09805	11.8
443.09637	3.9
461.10858	24.0
461.16843	2.0
462.11093	1.8
465.84833	1.6
473.11029	6.0
491.11929	16.0
491.36200	1.2
492.12836	2.2
521.12854	2.6
563.13959	2.0
581.15137	17.7
581.24091	2.2
582.15466	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	581.1821
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
59.01368	1.5
61.98824	1.2
62.96404	1.1
70.57542	2.1
70.57906	2.1
71.01360	1.4
78.95901	100.0
88.98784	1.6
89.02463	1.0
96.95988	2.9
96.96954	4.3
98.95625	1.2
99.92578	10.7
100.93380	1.4
115.92080	34.9
116.72573	0.9
116.92242	1.4
116.92862	29.4
142.94417	1.4
150.97961	3.1
152.99579	23.0
164.90465	2.2
171.00642	10.4
172.95465	8.3
178.88422	12.9
179.89209	37.6
180.90009	26.3
189.91263	1.1
194.87878	4.5
196.89474	48.6
204.89931	1.0
205.90773	5.5
206.91481	4.2
208.89449	1.5
218.91690	1.3
219.92366	1.7
221.90303	2.7
234.91022	1.1
235.91815	12.2
236.92598	26.6
237.92717	1.5
245.04259	1.7
252.92120	3.4
253.21577	1.3
270.93057	1.7
276.95758	2.9
278.93594	5.1
292.95230	1.9
309.95447	1.8
310.96213	7.8
330.06372	1.0
473.13879	5.4
481.25940	1.9
490.14392	6.0
533.16028	5.0
545.16272	7.5
563.17310	7.6
581.18231	85.3
582.18481	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	581.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39477	0.2
55.01882	0.4
57.03449	1.2
58.00593	0.8
59.01379	7.6
61.98832	8.2
69.21980	2.6
71.01380	3.1
73.02946	6.7
75.00870	0.6
82.21382	0.3
82.81300	0.3
83.01388	8.1
85.02951	1.0
87.04507	1.7
89.02470	0.3
93.03448	0.6
95.04980	0.4
96.96012	1.2
98.19921	0.5
101.02434	4.1
106.04234	0.4
109.02953	0.6
109.06570	0.5
111.08212	0.4
113.02430	0.7
121.02969	1.7
125.02462	0.6
127.07642	0.5
133.02982	2.6
134.03738	63.9
135.04231	1.0
137.02441	11.7
137.06049	0.4
139.04034	2.9
139.07776	0.5
139.11290	7.3
140.11691	0.3
143.03546	0.3
144.24664	0.3
149.02361	0.4
149.06078	18.5
150.03238	1.3
150.06427	0.7
151.11240	0.8
163.11320	0.5
165.09216	1.1
167.10748	0.9
169.12355	2.7
178.02704	43.0
179.03311	1.4
179.10773	1.5
181.12341	2.8
183.10248	12.9
193.05045	100.0
194.05388	3.3
195.13945	0.7
197.11867	2.0
199.13222	0.3
205.06038	0.3
205.12386	0.4
207.10254	0.5
225.11311	14.5
226.11627	0.5
231.10168	0.3
239.12865	0.7
243.12347	14.8
244.12730	0.5
249.11276	1.2
263.12964	0.5
267.12445	2.1
285.13431	2.3
291.12381	2.9
292.83875	0.3
297.13327	0.4
309.13348	0.9
327.14481	6.4
327.17746	0.2
328.14612	0.5
369.15182	0.6
387.16571	13.2
388.16885	0.7
563.22253	0.4
581.22351	30.6
582.22906	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	581.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03828	0.3
57.03452	1.2
58.00602	0.5
59.01379	6.1
60.46332	0.4
61.98829	4.9
63.61965	0.3
69.81931	1.7
71.01377	2.6
73.02950	4.3
78.95923	0.3
83.01391	6.0
85.02950	0.9
85.82722	0.3
87.04529	1.2
89.02448	0.4
98.19973	0.5
99.04494	0.4
101.02438	3.3
109.06598	0.5
111.00870	0.5
113.02469	0.9
121.02962	1.0
125.02428	2.0
125.06065	0.5
133.02934	2.1
134.03738	45.9
135.04053	0.4
137.02448	8.4
139.04047	2.6
139.07634	0.4
139.11293	5.4
149.02449	0.4
149.06081	14.3
150.03145	0.5
150.06509	0.4
151.00345	1.3
151.11282	0.6
165.09212	1.2
169.01401	1.1
169.12347	2.1
178.02708	32.6
179.03313	1.3
179.10760	1.2
179.35692	0.3
181.12370	2.1
183.10262	11.0
184.10565	0.3
187.75934	0.4
193.05048	100.0
194.05371	2.5
195.13974	0.4
197.11823	1.8
199.13350	0.4
218.97536	0.3
225.11324	12.1
239.12885	0.5
243.12347	14.0
249.11275	1.0
263.12909	0.5
267.12396	1.8
269.34167	0.3
285.13315	2.0
291.12457	2.1
297.13370	0.4
303.42941	0.4
309.13327	1.2
327.14471	5.8
337.91632	0.3
387.16580	13.7
388.16922	0.8
521.33075	1.8
581.22522	9.6
581.35461	1.0
582.22754	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.7
57.03439	5.9
59.01380	44.7
61.98829	63.7
71.01381	29.8
71.41950	5.1
73.02945	8.2
81.84942	3.1
83.01376	3.8
83.62637	3.2
85.02982	5.9
89.02448	13.9
96.96004	3.6
99.04551	4.1
101.02441	16.9
104.63091	3.6
113.02464	14.8
114.53173	3.7
116.92867	8.5
161.04550	10.4
169.38197	3.3
171.10291	4.2
173.95137	3.5
193.53442	4.2
309.20520	8.1
333.20416	6.5
399.23782	11.6
545.29663	100.0
546.29877	8.7
581.27319	68.3
582.27277	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	581.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00152	3.4
59.01387	43.1
61.98831	69.0
71.01393	31.0
71.41686	5.2
73.02947	6.6
83.01382	4.5
85.02939	12.3
87.00895	4.6
89.02442	15.3
95.01353	3.5
96.96024	4.2
99.04501	11.4
101.02422	20.6
113.02441	15.7
115.76282	5.2
116.92903	5.7
119.03490	6.9
125.02456	4.6
131.03461	6.0
136.07663	10.1
143.03453	6.4
161.04524	12.7
212.24203	3.3
249.09698	4.3
253.09248	3.5
291.82346	4.2
309.20508	7.6
333.20599	5.3
358.95435	3.5
374.71722	3.6
395.99503	3.6
399.23914	17.4
414.95020	3.5
537.27521	6.8
545.29724	100.0
546.29846	6.9
581.27747	52.6
582.27533	4.2
586.13141	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	581.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69984	0.1
59.01374	0.2
61.98830	100.0
62.98530	0.1
69.22346	0.5
69.22771	0.2
78.95915	0.3
98.19843	0.2
152.99556	0.5
157.18105	0.1
169.32483	0.1
180.32608	0.1
235.78009	0.1
279.23279	2.2
280.23669	0.8
281.23941	0.5
282.24170	0.4
354.72604	0.1
367.35388	0.1
504.30841	1.0
505.31265	0.3
506.31708	0.2
507.31729	0.5
533.06732	0.1
581.33453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14812	0.1
59.01373	0.3
61.98829	100.0
62.98539	0.1
66.27122	0.1
67.04592	0.1
69.22787	0.4
69.23205	0.4
78.95921	0.7
82.96091	0.1
88.25738	0.1
90.47446	0.1
117.12376	0.1
119.15334	0.1
129.82912	0.1
152.99612	0.2
154.15636	0.1
168.04260	0.1
204.23080	0.1
211.16154	0.1
224.06924	0.1
279.23257	1.6
280.23608	0.6
281.24039	0.3
282.24402	0.2
309.04288	0.1
433.23813	0.2
504.30856	1.1
505.31665	0.2
506.31573	0.2
507.31924	0.6
581.32971	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	5.0
61.98835	8.4
64.95250	6.6
68.68270	1.4
70.02974	4.5
71.01373	2.6
71.05022	5.3
71.24353	3.1
72.00908	2.5
74.00701	6.5
74.02473	19.2
78.66895	1.5
81.03458	3.1
82.02991	9.3
83.01395	5.0
85.04092	2.7
86.02488	9.6
86.94553	1.4
87.05670	3.6
95.01317	1.6
95.05025	1.8
95.71533	1.5
97.02983	3.4
97.04071	12.7
99.04546	3.7
99.05642	12.2
100.00413	13.4
101.07175	1.5
102.00197	5.1
102.05611	2.1
105.99689	13.3
107.06138	2.4
109.04085	2.4
111.05597	3.0
112.03973	1.7
114.00183	2.3
116.01754	2.8
123.04507	5.5
123.05544	1.4
124.04874	2.4
125.02448	10.8
125.03482	2.1
126.02838	2.0
127.05106	4.3
128.01772	6.1
128.03546	77.2
130.03326	2.6
131.02867	2.5
135.05635	7.4
137.02463	4.4
138.02800	2.2
141.03117	3.4
143.04626	44.6
145.06200	2.8
146.04607	6.1
146.08231	29.0
151.05132	4.2
153.06699	7.1
160.00763	8.5
166.09996	1.8
167.03534	15.3
167.04762	2.4
167.08243	2.2
168.03854	6.0
169.06177	16.5
175.01797	15.5
179.04698	16.7
180.03784	1.8
182.09229	1.6
185.03973	5.8
185.05626	1.5
197.04332	2.4
197.05878	3.3
199.54695	1.6
203.04932	4.0
209.04552	24.4
210.04929	12.5
210.06656	2.1
210.08853	10.5
213.52322	1.5
217.11890	3.3
226.08362	3.0
239.05589	17.1
240.05981	14.0
252.06206	2.1
254.07843	20.1
266.37192	1.7
269.06699	7.6
270.06973	7.4
272.08875	86.2
275.10739	7.0
277.12164	9.9
286.05078	7.6
293.04562	1.6
299.07745	2.9
300.07977	4.2
304.06079	95.1
305.06433	2.8
306.04095	1.6
306.07687	3.3
309.09445	13.0
312.08105	2.6
329.08768	3.5
330.09442	3.1
371.07840	4.2
372.08197	9.5
401.08511	2.5
402.09152	8.7
420.12299	3.6
432.10263	3.1
452.12732	2.5
453.14883	4.7
462.11566	5.4
474.11465	3.4
492.12335	3.9
564.18250	10.9
582.19153	100.0
583.19568	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.98829	100.0
69.62285	0.3
69.62691	0.5
71.01387	0.3
75.00869	0.1
88.98821	0.7
98.19934	0.2
101.02478	0.2
103.00391	0.5
114.05651	0.2
119.05060	0.2
132.86363	0.1
133.01518	0.2
138.19955	0.1
138.98682	0.1
167.03467	0.2
170.74684	0.1
195.05078	0.3
243.12424	0.2
331.01227	0.1
421.16806	0.2
497.67297	0.2
522.25519	0.2
538.30786	0.2
582.23151	0.2
583.22369	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63314	0.2
59.01360	0.3
61.98829	100.0
62.18789	0.2
63.63837	0.2
64.76961	0.2
69.58971	1.5
71.01363	0.5
81.03465	0.9
83.01392	0.7
85.02941	0.3
89.02446	0.3
95.01408	0.3
95.03069	0.2
95.05030	0.5
97.02956	0.4
99.04549	0.3
107.05013	0.3
109.02996	0.5
111.04549	0.4
113.02515	0.3
121.02947	0.3
123.04517	1.5
124.04877	0.3
125.02444	2.2
126.02798	0.6
135.04469	0.2
137.02469	0.9
153.05637	0.3
157.15439	0.2
165.05606	0.2
167.03482	3.0
168.03874	0.8
175.26398	0.3
179.03514	0.9
180.03979	0.4
197.04610	1.0
198.04861	0.5
200.00713	0.2
209.04562	3.6
210.04878	2.6
239.05634	3.5
240.05965	2.0
251.02518	0.2
251.05589	0.3
252.05989	0.3
269.06644	1.8
270.06824	1.0
281.06879	0.3
282.07071	0.4
299.07889	0.5
300.08063	0.3
311.07773	0.3
312.08148	0.5
329.08966	0.4
330.09280	0.6
342.08673	0.3
371.07788	0.8
372.07953	1.6
401.09012	0.4
402.09122	1.3
420.12527	0.6
462.11133	1.1
474.11429	0.3
492.12659	0.8
582.15619	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51355	0.3
53.19477	0.2
57.03447	13.2
59.01068	0.4
59.01379	14.5
61.98828	100.0
65.68977	0.3
70.76199	0.3
71.00394	0.5
71.01381	2.7
72.44735	0.3
73.02962	0.7
78.88696	0.3
83.01385	0.8
85.02961	0.9
93.09222	0.3
96.96026	0.6
97.02950	0.3
99.00896	0.5
99.04517	17.6
101.02441	6.4
113.02451	1.5
116.92867	0.4
125.02445	6.2
136.39966	0.3
141.14966	0.3
143.03471	1.3
151.00362	0.5
152.00694	0.3
152.07205	0.3
161.04601	1.1
169.01485	0.6
169.53258	0.3
193.60587	0.3
234.19449	0.3
375.23874	2.8
417.24722	1.9
421.20380	0.3
457.28198	0.6
519.28027	13.3
520.28522	1.2
521.33643	0.4
522.33582	0.5
577.68524	0.3
582.18701	0.6
608.46936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.2
59.01381	0.8
61.98831	100.0
62.98551	0.2
66.03831	0.1
69.22418	0.5
69.22850	0.6
71.01390	0.4
71.03052	0.1
75.00883	0.1
82.31771	0.1
83.01386	0.1
89.02496	0.1
94.55742	0.1
101.02503	0.1
125.02441	0.2
151.00464	0.2
163.87981	0.1
169.01474	0.3
195.05133	0.3
228.75168	0.1
366.87289	0.1
377.34857	0.1
510.99246	0.2
522.33496	0.8
523.35034	0.6
583.20563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.2
61.98818	2.2
63.44025	0.6
69.15714	2.6
69.16146	2.6
78.95902	19.8
80.53886	0.6
80.96490	0.9
83.26085	0.6
115.92083	1.0
133.98012	0.5
152.99580	3.5
168.04329	3.2
179.89125	0.7
196.89464	0.7
224.06885	8.6
241.76123	0.6
242.08003	2.0
283.26410	100.0
284.26880	5.0
508.34064	77.3
509.34216	5.4
582.30664	2.2
583.19788	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	583.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.8
61.98833	19.5
66.86560	1.0
69.94795	1.0
71.01397	1.4
78.95904	86.6
96.96947	5.0
99.92577	7.5
100.93402	1.9
115.92078	37.4
116.92107	1.3
116.92856	26.7
117.92859	1.1
150.98004	4.7
152.98367	2.1
152.99590	28.6
162.88857	1.6
163.89720	1.1
164.90425	2.1
171.00671	5.6
172.95476	7.4
178.88457	11.3
179.89229	27.1
180.90041	18.3
194.87799	2.4
196.89488	44.4
204.90080	1.9
205.90810	3.9
206.91533	1.6
222.69064	1.2
235.91826	9.1
236.92607	18.7
252.92084	3.1
255.23288	10.8
278.93750	1.2
309.95386	1.9
335.67673	1.3
409.23511	1.6
475.15610	4.9
483.27408	2.3
492.16003	5.6
509.34015	1.3
535.17383	4.1
547.17438	5.3
548.18030	1.2
583.19769	100.0
584.20129	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	583.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12438	1.5
57.03435	1.5
57.42775	1.7
59.01382	32.4
61.98540	2.3
61.98836	35.6
71.01356	2.8
73.02953	1.6
80.05044	7.6
85.02958	2.3
88.70392	1.7
96.96004	4.9
98.20638	4.5
99.04488	2.7
101.02450	3.5
104.05066	2.5
106.06608	4.6
108.04550	2.2
108.08197	4.2
113.02444	3.0
115.53495	2.0
115.92050	2.7
116.92857	11.4
126.19249	1.5
134.03696	2.3
134.06131	6.8
136.07677	58.5
137.08014	2.4
149.05988	2.7
152.07144	2.7
160.07635	1.9
174.05559	2.0
180.06671	6.5
188.07141	16.2
211.08659	2.5
225.10359	4.5
226.11156	2.2
227.11861	3.3
229.13414	4.6
238.07385	2.0
251.11909	3.2
252.08884	2.5
253.09799	8.3
265.09644	3.1
267.11346	4.2
277.09790	3.6
279.07843	4.0
279.11346	4.6
293.09216	2.3
294.10236	2.4
295.10855	27.5
296.11261	2.2
307.10867	15.1
321.08682	2.8
335.22113	4.6
402.17703	2.2
416.19852	3.5
442.17316	2.1
444.19250	46.2
445.19495	3.7
460.18738	2.4
468.16904	2.2
470.17380	2.3
481.28070	1.9
488.18277	100.0
489.18442	9.6
520.20911	37.0
521.20654	2.5
539.28815	2.9
545.30017	3.0
583.14978	2.3
583.25677	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	583.276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37815	0.5
57.03444	2.9
59.01376	8.8
59.80378	0.4
61.98826	5.0
69.03439	2.3
69.81181	1.2
69.81597	1.1
71.01376	2.4
71.05018	1.0
73.02958	2.5
75.19801	0.5
79.05541	0.5
83.01383	0.5
83.05024	1.7
85.02957	1.1
96.95969	0.6
97.06586	6.9
99.04517	14.9
101.02419	1.3
107.05056	0.8
108.98341	0.4
113.02456	0.9
116.92857	1.0
119.08658	3.6
121.02905	0.4
125.09749	1.2
136.07678	0.6
137.09711	6.8
153.09215	1.2
153.12776	0.5
163.07648	1.0
167.10750	7.9
181.08690	2.8
247.17017	1.1
265.18048	0.7
274.11011	0.5
308.99063	0.5
317.21255	0.6
318.97662	0.5
335.22253	100.0
336.22565	5.4
349.23795	1.3
349.29874	0.5
349.35614	0.4
377.23276	2.8
385.25674	0.7
393.27951	0.6
463.26926	0.6
475.97992	0.6
539.28729	1.0
583.25909	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.2
59.01380	30.0
61.98831	12.3
62.73483	0.7
69.03449	3.8
69.46643	1.4
69.47044	3.6
71.01380	6.1
71.05003	1.6
73.02957	7.1
79.07201	0.7
83.01400	1.4
83.05020	1.4
85.02936	1.1
86.48904	0.7
87.04565	0.8
89.02462	1.2
93.07081	1.3
95.05037	2.0
96.96039	1.1
99.04524	8.0
101.02446	5.9
109.06593	0.9
110.67709	0.6
111.08139	3.3
113.02438	2.5
113.06068	1.6
121.10248	0.9
123.08086	0.9
125.02441	2.5
133.05255	0.9
135.25204	0.7
137.06087	1.3
155.07137	6.3
161.04472	1.6
179.14363	0.7
203.17979	1.7
216.21155	0.7
221.15564	1.5
226.59802	0.7
244.99864	0.7
247.17038	1.1
255.03049	4.5
283.02551	4.3
284.03223	2.4
317.21036	3.0
319.22772	0.9
335.22260	100.0
336.22617	6.6
349.23853	2.3
368.19901	0.9
377.23242	2.1
442.10507	0.8
463.26855	1.1
523.30060	0.8
539.28741	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75336	0.2
59.01378	0.3
61.98830	100.0
62.98520	0.2
63.99248	0.3
68.12321	0.1
71.01391	0.3
71.68376	0.1
76.90076	0.1
85.02972	0.2
85.53915	0.2
88.04070	0.2
103.00384	0.5
110.04188	0.1
113.02470	0.2
119.05023	0.9
134.03764	0.2
145.02914	0.3
163.04028	0.6
167.07201	0.3
233.29082	0.2
501.12781	0.5
524.27325	0.5
585.13354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53270	0.1
52.14982	0.1
57.34565	0.1
59.01387	0.3
61.98829	100.0
62.98539	0.2
71.01389	0.3
73.02952	0.1
98.19879	0.3
101.02453	0.2
103.00352	0.3
119.05050	0.5
125.09728	0.8
133.01489	0.2
145.01364	0.1
153.21648	0.1
159.18379	0.1
163.04042	0.3
187.09698	0.6
224.92230	0.1
231.83569	0.1
270.87482	0.1
291.37289	0.1
315.45657	0.1
394.10559	0.1
395.10287	0.3
524.27209	0.2
584.23895	0.2
585.13568	0.3
585.24060	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37225	0.1
54.40905	0.1
56.07808	0.1
57.03456	0.3
59.01378	2.1
60.71971	0.1
61.98830	100.0
63.99269	0.3
68.99588	0.6
71.01386	0.8
71.52612	0.2
73.02958	0.3
73.48871	0.1
83.01404	0.3
85.02969	0.4
87.00869	0.2
89.02470	0.2
94.03015	0.2
99.01024	0.2
101.02467	0.4
103.00372	2.1
108.02178	1.0
109.02946	0.9
112.98588	0.8
113.02480	0.2
119.05029	1.7
121.02956	0.2
122.06181	0.3
125.02450	3.3
125.03339	0.2
132.04535	0.2
134.03709	0.2
135.04533	0.2
145.02962	0.3
146.02547	0.1
148.04054	0.8
149.06088	0.3
151.00380	0.4
152.01143	1.0
152.07288	0.1
153.01904	1.6
155.10681	0.1
160.04033	0.8
160.36858	0.2
161.04518	0.2
161.06123	0.2
163.03987	1.2
175.02495	0.7
178.05098	1.3
178.99927	0.2
181.55774	0.2
183.10303	0.2
197.04585	0.2
205.05057	0.2
225.11394	0.2
243.12381	0.4
250.04776	0.2
387.16705	0.2
405.17419	0.3
513.19635	0.8
524.34875	0.3
542.33081	0.1
547.98975	0.1
584.26306	0.2
584.35876	0.3
585.21930	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	584.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.1
59.01378	1.0
61.98831	100.0
62.98541	0.1
69.27319	0.4
69.27741	0.4
71.01391	0.4
75.60810	0.1
87.18587	0.1
88.98829	0.3
89.02449	0.2
95.13680	0.1
95.64079	0.1
96.33183	0.1
97.02970	0.1
101.02477	0.2
113.02452	0.2
116.92850	0.1
135.04544	0.1
148.04082	0.2
162.05727	0.1
166.05174	0.1
182.18756	0.1
186.22803	0.1
193.05057	0.1
232.77673	0.1
247.80547	0.1
260.38593	0.1
284.03333	0.1
285.04172	0.2
345.11029	0.2
446.16977	0.1
472.15247	0.1
490.16864	0.2
499.29633	0.1
508.17847	0.1
524.35364	0.3
584.24908	0.1
584.35791	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	584.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94920	0.1
59.01374	0.6
61.66233	0.2
61.98828	100.0
70.64190	0.3
74.82076	0.1
76.20458	0.2
76.86176	0.1
79.47842	0.1
86.20817	0.2
87.61878	0.2
88.48714	0.1
94.02998	0.3
99.14268	0.1
101.02448	0.3
102.65205	0.1
103.89796	0.1
104.37958	0.1
132.81226	0.2
165.83386	0.1
224.58775	0.2
524.34796	0.3
581.26617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.9
61.98828	1.3
71.01389	0.6
71.52527	0.3
72.99315	0.5
96.96014	0.7
98.95599	0.4
99.00877	0.4
99.92581	16.5
100.92619	0.6
100.93365	1.2
103.00346	0.7
114.93476	0.3
114.94905	0.3
115.92077	26.2
116.92858	100.0
117.92892	3.3
121.03027	0.2
125.02504	0.3
135.04497	0.3
140.92847	0.4
141.93633	0.9
142.94418	1.2
149.06073	0.4
151.00392	0.3
156.92366	0.4
158.93930	0.7
170.93869	0.3
171.10384	0.5
174.93404	0.5
183.94612	0.5
184.91841	1.4
185.92694	0.3
186.93344	0.3
196.95534	0.4
200.52086	0.3
226.96530	0.3
227.40277	0.2
230.36533	0.3
244.97525	0.6
259.96259	1.1
277.99481	0.3
283.81519	0.3
285.07587	0.3
321.11642	1.4
345.96405	0.3
353.10596	0.4
456.16962	0.2
463.14291	0.8
481.15271	7.6
481.22147	0.5
482.15527	0.7
499.16452	3.3
499.29315	0.3
505.15149	0.4
511.16318	0.8
523.16418	2.7
524.16711	0.4
533.40674	0.3
533.49072	0.3
541.17474	4.8
542.17853	0.5
549.14148	2.6
550.14563	0.4
554.70502	0.2
567.15448	0.8
585.16412	20.1
586.16797	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	585.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73323	0.5
52.76569	0.4
57.03446	2.9
59.01381	0.7
61.98836	1.6
63.02398	1.3
65.00323	14.9
69.44000	1.4
69.44434	1.6
83.01385	5.7
106.04278	0.5
107.01389	19.7
107.05061	1.0
107.31986	0.4
108.02178	1.5
108.99295	0.4
109.02962	1.7
125.02444	23.1
132.02132	0.7
133.02963	4.7
134.03752	10.6
135.04527	100.0
136.01653	1.6
136.04800	2.4
140.34189	0.4
147.04524	0.9
149.06075	7.3
151.00369	72.9
152.00732	1.9
159.04488	2.2
161.02438	26.7
162.02791	0.7
164.01169	3.2
165.01923	0.6
169.01453	0.8
174.03242	1.3
175.04033	0.6
177.01935	3.9
188.04768	0.4
196.00113	3.5
199.03973	3.4
201.01942	1.8
201.05647	1.0
213.05687	0.5
215.03514	0.9
225.05638	0.8
241.05145	1.0
242.05907	1.1
243.06619	5.6
285.04047	4.4
286.04816	9.4
287.05603	8.4
433.16620	3.1
459.14471	4.2
461.25513	0.4
473.12430	0.8
541.18524	1.2
567.16455	3.5
585.17627	62.7
586.18103	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	585.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.6
59.01374	1.2
61.24418	0.7
61.98814	2.5
63.02392	2.1
64.99976	0.9
65.00323	17.0
71.51965	1.3
80.76204	0.7
83.01379	6.5
83.05022	0.8
85.73692	0.8
99.53216	0.8
105.28125	0.8
106.04279	0.8
107.01395	21.0
107.05032	1.1
107.86432	0.8
108.02178	3.3
109.02966	2.8
125.02445	21.4
133.02942	3.5
134.03752	11.6
135.04523	100.0
136.01640	3.2
136.04828	2.8
149.06082	6.3
151.00366	95.4
152.00703	1.5
159.04500	4.5
161.02443	18.9
164.01132	5.1
165.01915	1.8
174.03192	2.8
177.01906	2.7
196.00130	6.2
199.04002	4.0
201.01828	4.5
201.05569	2.5
215.03386	2.1
225.05598	1.2
241.05138	1.4
242.05783	1.6
243.06599	8.7
258.05267	1.5
285.04086	4.2
286.04813	17.0
287.05597	17.6
288.05954	0.9
298.15979	0.8
314.70386	0.8
433.16290	2.8
459.14456	2.8
473.12561	1.7
491.13531	1.2
519.39355	0.8
541.18445	1.8
567.16571	7.5
585.17627	87.2
586.17828	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	585.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
59.01375	3.5
61.98823	3.6
63.02400	1.3
65.00325	16.9
69.32413	5.2
83.01389	5.6
93.03463	2.2
99.92593	3.1
106.04247	1.8
107.01386	23.6
107.05022	0.6
108.02181	1.5
109.02939	11.3
115.92063	3.6
116.92850	19.7
117.92904	1.2
119.05073	0.8
121.02953	1.8
125.02426	6.1
134.03735	25.0
135.04532	8.4
137.19984	0.7
147.04457	3.0
149.06070	24.1
150.06381	0.8
151.00359	100.0
152.00716	2.6
161.06071	3.1
161.44032	0.6
165.75365	0.6
167.03525	0.6
169.01401	1.9
173.06094	4.3
241.08653	2.5
254.05618	0.8
265.08621	1.4
267.06616	2.5
268.07285	0.9
281.08038	0.7
282.09003	4.5
283.09753	16.5
309.07562	0.9
321.11182	4.4
337.23795	1.5
339.12662	0.8
415.15451	3.3
433.16486	42.5
434.16867	3.1
459.14532	7.2
460.14462	1.0
481.15442	1.0
506.31165	0.7
541.30267	0.9
567.16791	1.7
585.17554	55.4
586.17975	6.5
604.85858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04279	0.7
51.73299	0.7
56.60467	0.6
57.03448	19.8
58.02970	1.7
59.01380	100.0
61.98829	7.9
70.02982	3.0
70.08849	1.4
70.09235	1.7
71.01390	7.0
72.00903	1.1
73.02945	2.9
74.02473	13.9
74.02861	1.1
78.61646	0.7
83.01405	1.5
84.04553	1.8
85.02967	2.9
87.04520	0.9
89.02478	1.8
96.14463	0.7
96.95997	0.7
97.06618	1.2
98.02473	3.4
99.00912	0.8
99.04521	19.3
101.02436	10.4
102.05208	0.8
113.02473	3.1
116.03548	3.1
116.05063	6.7
116.92886	0.7
119.03478	0.9
121.05334	1.1
125.02472	4.7
128.03580	5.6
130.03043	1.0
134.03740	1.4
134.06094	2.0
136.07678	29.9
142.06621	1.3
143.03426	0.8
149.06055	1.3
158.02469	5.8
159.09361	1.2
161.04573	2.8
163.03882	0.8
169.12378	1.9
171.10263	1.1
190.05092	20.7
192.06741	0.8
201.10374	0.8
203.08261	9.9
217.69775	0.8
231.09161	1.1
245.09286	17.9
246.09613	1.1
251.11914	1.0
269.04529	1.3
271.69174	0.7
279.11450	1.1
307.10791	4.9
324.11502	0.8
337.23837	10.6
339.13477	45.0
340.13806	3.1
441.28647	5.0
456.19223	13.8
465.28598	4.3
483.29709	3.2
525.30994	1.5
553.21118	1.7
585.15265	0.9
585.24139	2.4
585.32776	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	586.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.2
59.01378	2.0
60.73870	0.1
61.98829	100.0
62.98539	0.2
63.98974	0.1
63.99257	0.9
69.26443	1.3
71.01385	0.8
73.02940	0.3
74.02484	0.2
85.02971	0.3
88.98829	0.2
89.02444	0.4
94.12205	0.1
96.96053	0.2
99.04533	0.4
101.02469	0.5
113.02434	0.3
115.00424	0.2
116.92890	0.3
119.05051	0.3
121.02985	0.3
125.02454	0.2
128.27460	0.1
136.19856	0.2
145.03017	0.2
149.04422	0.2
155.10771	0.2
163.04071	0.2
165.01964	0.3
171.10274	0.3
175.02562	0.3
179.03584	0.2
193.05031	0.2
195.05238	0.2
227.03487	0.2
243.12296	0.2
255.02974	0.2
285.04138	0.4
377.90735	0.1
383.96411	0.2
453.19812	0.1
482.28690	0.2
483.29263	0.2
489.10916	0.2
586.28149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.8
59.01383	10.4
61.98820	2.3
62.97916	0.6
68.99815	1.4
69.03454	1.9
71.01382	21.3
72.99299	2.8
73.02933	1.7
75.00871	36.1
78.95900	1.1
83.44249	0.6
85.02953	4.9
87.00877	4.8
87.98893	0.7
89.02455	2.4
92.79914	0.7
93.00568	0.7
93.03460	1.6
96.96018	15.7
96.96947	1.0
97.02913	2.1
99.00880	9.2
101.02437	1.9
103.00352	2.6
111.00868	2.0
112.43837	0.7
113.02474	1.3
117.03474	1.7
119.05029	70.9
120.05354	2.0
129.01942	13.2
131.03461	1.9
133.06541	1.8
137.02457	1.2
141.01936	2.0
145.02951	12.8
158.84964	0.7
159.02982	1.4
161.06100	4.2
163.04007	52.5
164.04372	1.4
177.04039	14.6
193.88820	0.8
195.05116	6.3
205.05093	5.2
212.05981	0.8
220.57462	0.7
231.06532	1.1
261.07639	1.7
323.07779	6.2
323.38281	0.8
341.08783	4.5
409.14984	2.2
471.72446	0.8
525.19745	0.9
551.17615	8.0
587.19751	100.0
588.20319	8.2
611.55920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.4
59.01379	72.0
61.98829	25.6
69.22339	6.5
69.22758	7.0
71.01381	14.8
73.02937	5.5
83.01381	4.3
85.02941	8.0
87.00877	2.0
88.98827	2.8
89.02435	5.9
95.01353	2.2
96.96012	3.3
99.04513	5.9
101.02445	7.6
103.00380	2.0
105.42924	1.5
113.02448	11.7
115.00455	2.0
116.31519	1.3
116.92832	4.4
119.03532	2.2
119.05011	6.7
120.04555	1.7
124.03972	1.6
125.02419	3.3
132.04485	1.5
134.03699	2.0
136.07664	2.2
144.17896	1.4
146.02486	10.8
147.03253	6.7
148.04039	4.3
149.04639	1.8
150.09106	1.7
157.01378	1.8
161.04553	4.5
163.02695	1.9
163.03996	5.8
173.24902	1.3
174.01961	22.9
175.02675	14.4
176.03502	10.9
176.07111	2.2
177.04254	1.4
204.10193	3.3
206.04573	11.5
206.66196	1.4
239.08206	2.6
240.06711	2.1
241.06212	1.5
242.06982	2.9
243.07664	3.7
254.08115	4.2
254.10590	1.8
255.03038	4.7
255.07729	2.1
255.08911	2.3
255.11375	3.4
256.09659	5.1
268.04819	5.1
269.05591	5.5
269.09225	4.5
270.06339	1.9
270.10004	1.8
271.10892	3.8
280.08502	2.0
281.09290	3.0
282.06476	3.4
283.02377	2.5
283.07245	32.1
284.03162	4.6
284.07648	3.0
285.04086	7.6
296.08221	2.3
297.08762	16.6
298.09567	87.3
299.10287	29.3
324.07401	3.0
325.08344	2.3
325.11856	3.4
342.08405	3.4
413.82379	1.7
425.16098	6.6
425.25226	3.0
433.57758	1.5
443.26196	1.8
448.18759	100.0
449.18964	10.1
474.16605	3.0
483.29703	19.7
489.10278	2.4
492.17761	70.7
493.18103	7.7
501.30814	7.1
524.20355	66.2
525.20544	8.6
529.75928	1.7
587.17615	2.6
587.30463	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	587.307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47140	0.8
52.25516	0.9
55.01873	2.1
57.03457	1.5
58.98572	0.8
59.01377	56.5
61.98829	2.9
70.26498	2.5
71.01379	22.2
73.02948	7.8
75.00919	0.9
83.01382	4.7
85.02949	11.1
87.00853	1.3
89.01338	0.9
89.02428	4.1
95.01392	2.0
97.02926	1.2
99.00876	3.0
99.92574	2.5
101.02431	14.2
113.02442	8.2
116.92857	1.7
123.69592	1.0
159.02882	0.8
161.04517	3.6
165.05721	0.8
165.12822	3.3
168.49136	1.0
171.10059	0.8
231.37581	1.0
253.09286	2.8
291.19617	21.5
291.22659	1.7
292.19891	1.3
295.26361	2.2
366.15158	0.9
457.31760	1.2
483.29498	1.6
501.30551	3.5
543.31732	100.0
544.31927	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	587.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	9.0
59.01378	14.3
61.98830	5.3
70.82471	4.1
71.01369	4.5
71.05022	5.3
72.78687	1.3
73.02941	2.3
83.01334	1.2
83.04991	2.0
83.20510	1.3
85.02927	2.2
85.06609	1.4
89.02435	1.5
89.57231	1.3
93.03397	1.6
94.00095	1.3
95.05035	1.6
97.06584	3.5
99.92587	4.2
100.92597	2.0
101.02419	2.9
110.48666	1.6
111.08147	5.3
113.02440	2.6
113.09700	1.4
115.92080	4.3
116.92124	2.8
116.92860	14.1
117.91994	1.8
117.92857	8.3
118.92663	6.7
125.09722	1.8
134.03664	1.8
135.04536	3.8
149.06038	2.0
157.08676	2.1
165.12805	2.8
171.10283	6.3
175.39874	1.4
183.13815	1.5
195.17535	17.5
197.11853	5.9
202.86690	1.5
207.02946	1.8
209.19086	1.9
224.22646	1.6
226.81488	1.6
237.22195	4.6
242.05862	1.7
253.09331	1.8
279.23343	10.4
291.16449	2.6
291.19644	13.2
295.26392	25.5
339.25369	100.0
340.25690	6.1
353.26904	3.7
363.25375	6.6
381.26474	2.1
483.15240	2.5
493.15030	2.6
527.28540	1.6
543.17682	2.3
543.31659	3.5
587.18353	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	588.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82068	1.8
53.28532	1.6
59.01381	24.0
61.98832	100.0
62.98527	1.8
63.99251	2.2
66.99741	1.5
69.15189	11.3
69.15617	4.7
71.01378	2.6
72.06038	1.5
73.02933	2.7
82.59691	1.6
85.02941	1.9
89.02422	1.9
93.64162	1.5
96.96001	1.9
101.02429	3.1
103.00333	1.9
117.69760	1.4
127.23415	1.6
134.06123	2.0
139.11269	12.5
152.07147	2.6
181.12354	3.5
183.10225	13.8
192.88269	1.6
213.41646	1.7
225.11266	6.5
243.12349	38.8
257.69073	1.7
279.38321	2.1
285.13361	13.0
287.12265	1.7
315.14609	3.2
317.89886	1.6
345.15460	19.3
388.85919	1.8
405.17642	49.6
406.17914	3.1
493.17917	4.6
515.35522	2.0
524.67859	2.0
525.20850	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	588.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08432	0.5
57.03448	0.9
59.01374	3.3
61.90576	0.5
61.98830	51.7
69.72363	2.9
69.72734	0.9
71.01378	17.3
72.99319	0.8
87.00893	0.9
88.97650	0.6
89.02460	1.8
89.40215	0.5
101.02459	1.5
115.00372	27.7
118.93271	0.5
119.05023	37.6
120.05392	1.3
130.08774	0.6
133.01428	100.0
134.01810	1.3
142.24374	0.5
143.62292	0.5
163.04004	72.6
164.04396	2.4
178.40785	0.7
191.05618	1.0
253.98869	0.6
279.05099	7.1
280.05746	0.9
333.98904	0.7
438.61920	0.6
441.02090	0.6
443.18927	1.3
444.19638	2.3
486.20782	2.1
588.23090	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
59.10137	0.3
59.66523	0.3
61.98829	23.1
62.69385	0.4
63.99249	0.4
69.33456	3.2
71.01378	10.3
71.82614	0.3
72.99303	1.5
87.00862	0.4
89.02450	1.5
101.02423	0.6
115.00373	28.6
119.05029	22.3
120.05377	0.4
133.01430	100.0
134.01790	1.3
163.04007	30.4
164.04333	0.8
279.05157	5.0
298.09717	0.4
367.32767	0.4
443.19516	0.4
444.19406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01083	2.2
59.01379	60.2
61.15889	2.9
61.98850	3.2
65.48786	3.1
69.14770	6.1
69.15176	24.0
71.01381	9.8
75.00861	10.1
87.00845	4.1
98.19917	5.5
99.00873	9.7
99.04509	8.6
103.00364	7.9
115.03992	6.8
117.05590	4.5
119.05029	11.0
129.01938	10.8
145.02959	5.0
161.08194	100.0
163.04001	19.5
177.04019	11.2
190.59494	3.1
192.92400	3.0
195.05106	32.7
203.09258	18.9
295.87817	3.4
341.08768	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	0.3
69.21626	0.4
69.22033	1.5
72.99303	1.3
75.00871	100.0
75.20587	0.2
76.01221	0.4
114.69438	0.2
168.90421	0.2
198.71770	0.2
277.21735	0.4
454.56317	0.3
465.88693	0.3
481.96472	0.2
532.29224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38137	1.0
50.59913	1.0
55.01880	1.6
57.03446	2.4
59.01381	100.0
61.98826	2.5
64.32101	0.9
69.84971	1.5
69.85390	4.0
71.01012	1.8
71.01382	29.8
72.99313	1.3
73.02951	13.6
83.01380	3.7
84.07926	0.9
85.02961	10.2
87.00905	1.2
89.02451	17.6
93.87051	0.9
95.01385	2.5
99.00851	1.9
101.02444	19.0
111.00832	0.9
113.02451	27.8
119.03516	6.1
125.02413	1.4
131.03499	5.2
136.07732	1.1
143.03481	2.7
147.11813	2.1
149.04556	8.4
161.04524	8.8
173.11839	1.5
179.05562	4.3
191.05582	1.2
217.19432	0.9
243.12254	2.3
379.13351	1.1
381.13873	2.4
385.25931	2.0
440.41364	1.2
485.31207	24.8
486.31207	2.2
503.32236	14.4
504.32565	1.8
527.31647	1.8
529.19006	0.8
529.26428	18.4
545.33282	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.4
59.01379	23.6
61.98837	3.7
69.47101	1.8
69.47498	0.7
71.01379	4.8
71.05009	2.6
73.02946	1.2
83.01381	0.8
85.02955	1.2
87.00877	0.5
89.02443	4.4
97.02950	0.5
98.19917	0.7
99.00883	0.5
101.02441	4.8
107.13850	0.4
113.02454	2.6
119.03487	1.2
134.89418	0.7
143.03493	0.8
143.10753	1.2
161.04556	1.9
179.05589	1.0
209.11807	1.4
209.15494	0.6
221.15573	0.6
223.17101	2.1
231.21149	1.0
235.08237	1.0
235.17027	17.7
236.17268	0.5
253.09273	24.6
254.09525	0.9
263.72485	0.5
275.20142	24.0
276.20584	1.0
291.19339	0.5
293.21216	100.0
294.21539	5.1
352.04706	0.4
375.88483	0.5
485.39713	0.5
529.30896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95101	1.2
59.01376	26.1
61.98824	8.6
63.52328	1.4
64.82745	1.1
70.07590	5.5
70.29405	1.6
71.01385	4.8
89.02437	4.4
96.96012	1.3
101.02460	7.0
113.02428	3.3
113.09696	1.9
116.92891	2.3
119.03485	1.6
121.10225	4.4
159.43640	1.4
171.10268	20.0
231.21239	2.2
234.95874	1.4
235.08177	1.7
235.17137	1.5
235.29108	1.4
252.66895	1.4
253.09262	24.8
258.82056	1.4
275.20111	22.4
276.20544	1.8
293.21207	100.0
294.21487	5.6
456.80600	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	589.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	3.0
59.01381	100.0
61.98833	6.0
65.30087	1.2
69.72430	2.7
69.72832	4.5
71.01386	23.7
73.02950	4.4
83.01379	2.3
85.02967	10.4
89.02446	12.0
95.01388	1.7
98.19910	1.4
99.00895	1.8
100.27687	1.2
100.37007	1.1
101.02447	10.8
109.82468	1.3
113.02445	13.8
115.76908	1.3
119.03545	2.8
125.02422	2.3
131.03476	1.4
143.03516	1.4
149.04585	1.5
153.16536	1.2
161.04570	3.5
171.10344	1.4
203.29362	1.4
223.49033	1.3
305.36151	1.2
306.68665	1.3
341.26895	3.8
401.41086	1.3
409.05185	1.2
467.30075	2.6
485.31186	49.6
486.31528	4.1
495.02026	1.5
503.32269	16.6
529.26642	4.3
545.33264	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	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
57.03438	2.3
59.01379	50.8
61.98829	7.1
66.47932	0.6
68.99532	0.6
69.03449	0.6
69.35197	4.6
71.01381	20.4
71.01778	1.2
72.01723	0.7
72.62584	0.6
72.99306	1.0
73.02947	6.7
75.00860	0.9
79.30032	0.7
83.01374	4.8
85.02954	8.6
86.00072	0.8
87.00872	1.8
89.02425	3.3
95.01379	2.5
97.02965	1.1
99.00855	1.4
101.02436	11.4
113.02450	7.6
116.92886	0.9
119.03453	1.4
125.02386	0.8
128.46600	0.6
157.12357	1.2
161.04541	1.4
171.10287	0.9
178.34415	0.7
199.13353	0.7
211.13486	0.7
272.06528	0.6
365.26932	0.8
459.33218	1.5
485.30927	2.6
503.32419	3.0
529.30066	0.7
545.33276	100.0
546.33575	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	24.7
61.98834	13.3
63.50167	1.8
69.03493	1.9
69.17458	12.7
69.17870	4.8
71.01376	4.4
84.18104	1.6
85.02950	2.4
88.45672	1.8
89.02430	3.5
101.02439	4.5
113.02441	4.3
116.92807	2.0
129.55418	1.6
161.04541	2.6
171.10307	2.5
195.13913	8.5
223.13417	4.1
253.09265	32.1
254.09604	2.4
275.20178	6.6
293.21237	100.0
294.21460	6.7
460.12778	2.1
471.66772	1.9
545.33081	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	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38137	1.0
50.59913	1.0
55.01880	1.6
57.03446	2.4
59.01381	100.0
61.98826	2.5
64.32101	0.9
69.84971	1.5
69.85390	4.0
71.01012	1.8
71.01382	29.8
72.99313	1.3
73.02951	13.6
83.01380	3.7
84.07926	0.9
85.02961	10.2
87.00905	1.2
89.02451	17.6
93.87051	0.9
95.01385	2.5
99.00851	1.9
101.02444	19.0
111.00832	0.9
113.02451	27.8
119.03516	6.1
125.02413	1.4
131.03499	5.2
136.07732	1.1
143.03481	2.7
147.11813	2.1
149.04556	8.4
161.04524	8.8
173.11839	1.5
179.05562	4.3
191.05582	1.2
217.19432	0.9
243.12254	2.3
379.13351	1.1
381.13873	2.4
385.25931	2.0
440.41364	1.2
485.31207	24.8
486.31207	2.2
503.32236	14.4
504.32565	1.8
527.31647	1.8
529.19006	0.8
529.26428	18.4
545.33282	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57352	0.8
55.01876	1.4
57.03454	5.9
57.18426	0.8
59.01380	100.0
60.01717	0.8
61.66187	0.9
61.98834	14.7
71.01016	1.3
71.01388	23.0
72.99296	3.1
72.99675	1.0
73.02943	6.8
75.00857	1.5
78.60050	1.0
83.01382	4.4
85.02954	11.6
87.00855	2.1
87.04514	3.9
88.04054	0.9
88.98804	3.6
89.02445	10.7
95.01395	3.2
96.96044	1.1
97.02961	2.1
99.00884	3.7
99.04507	5.6
101.02436	15.5
103.00359	1.9
103.51456	0.8
107.69902	0.8
111.00867	1.8
113.02448	14.5
116.92844	1.9
118.38773	1.0
118.86043	0.8
119.03507	2.9
125.02449	2.8
131.03691	1.1
137.02431	2.1
141.74199	1.0
143.03493	2.1
147.04459	1.1
149.04576	2.6
159.02972	1.1
161.04561	5.2
229.59273	0.9
251.08041	0.8
267.11322	1.0
282.10028	0.9
295.10641	1.0
311.10233	0.9
311.45157	0.9
345.83408	0.9
397.26071	1.2
418.17685	5.4
419.17795	1.0
427.26807	3.3
445.27866	1.6
457.28137	1.1
462.16641	3.1
467.30228	1.4
485.31171	46.8
486.31552	4.0
494.19165	8.7
495.19339	0.9
503.32242	19.1
504.32077	2.0
526.21838	3.3
529.30603	9.1
530.30890	1.4
545.33673	7.0
547.31458	5.4
589.32043	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	589.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.3
56.53973	0.9
57.03456	5.6
59.01382	100.0
60.01719	1.8
61.98830	13.1
70.15031	2.9
70.59211	1.0
71.01379	20.7
72.99315	1.8
73.02959	4.8
83.01371	3.3
85.02946	8.0
87.00867	2.6
88.98805	3.2
89.02451	10.1
95.01405	1.7
96.96021	1.1
99.00871	3.2
99.04506	3.0
101.02452	12.8
103.00379	1.7
113.02450	9.9
116.92896	1.0
119.03521	1.8
119.04988	1.4
125.02441	2.8
131.03513	0.8
133.41714	0.9
137.02454	2.0
143.03499	2.3
149.04547	2.6
161.04536	4.0
171.10246	1.2
179.05542	1.2
227.03496	1.2
255.02916	1.2
257.96091	0.9
284.03256	1.8
341.26917	1.8
349.48541	0.9
362.60809	0.9
369.38611	0.9
422.50974	0.9
427.27060	1.1
436.57242	1.2
467.30148	4.1
485.31207	33.4
486.31516	2.8
503.32333	14.0
529.29718	5.2
545.33246	1.2
547.31042	1.7
557.17572	0.9
571.19208	3.1
589.20007	6.7
589.31616	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	590.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	30.8
60.15937	4.2
60.99306	9.4
61.98821	5.1
71.01391	9.9
71.52619	7.8
73.02943	6.3
78.95911	6.5
83.01369	7.2
88.98817	43.0
90.85027	4.6
94.02992	36.8
103.00397	5.2
109.02959	57.4
112.01326	4.2
128.46342	4.4
139.11345	9.9
147.04503	33.4
159.04507	75.4
170.13881	4.4
183.10254	14.4
225.11295	9.1
233.09544	11.7
243.12376	12.7
268.98627	5.1
269.08157	42.2
313.07278	9.2
334.27225	5.1
351.34021	4.7
357.06168	11.0
387.16916	5.8
470.19843	9.9
482.20123	22.5
500.21371	100.0
501.21985	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43968	0.3
59.01380	0.7
61.98822	0.5
70.39410	1.0
71.01379	7.9
72.99317	1.5
83.86413	0.3
87.00885	0.5
89.02470	1.0
96.96017	0.3
97.04050	0.3
98.19942	0.4
99.92578	0.7
107.04987	0.3
115.00368	28.2
115.92065	0.5
116.92825	1.7
118.26315	0.3
133.01428	100.0
134.01801	1.4
134.03758	1.4
135.04518	20.5
158.93938	0.5
167.74435	0.3
179.03490	24.3
180.03857	0.5
220.82111	0.3
225.15092	0.3
293.48370	0.3
295.04562	5.1
295.07684	0.5
296.05035	0.3
591.13672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1354
Annotation	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
57.03447	6.3
59.01368	2.4
59.94489	0.5
61.98825	1.1
62.81406	0.5
69.24026	2.4
69.24447	2.4
73.02972	0.7
76.35645	0.6
83.01390	1.1
88.98827	0.9
93.03465	1.1
93.16683	0.6
98.02438	0.6
98.19875	0.9
99.04517	1.3
101.02414	1.4
107.01387	1.8
109.02979	0.6
113.96847	0.6
125.02445	0.9
132.02118	0.8
135.00899	1.8
151.00348	2.1
157.06563	0.7
159.04495	0.9
163.00359	2.3
165.01758	0.6
167.05034	1.0
169.06508	0.8
179.32558	0.7
183.04474	0.7
185.06087	1.8
187.03999	3.2
189.05527	0.8
195.04474	0.7
197.06018	1.0
199.04036	1.1
211.03993	2.7
213.05505	1.6
227.03481	28.0
228.03908	1.5
229.05058	9.5
239.03435	2.3
241.04984	1.1
255.02983	59.0
256.03644	4.0
257.04538	7.5
267.02887	0.9
284.03247	89.5
285.04025	100.0
286.04401	4.8
429.58557	0.6
447.09286	45.8
448.09540	3.8
489.10367	57.5
490.10773	6.3
529.13458	23.9
530.13849	1.5
531.11255	1.3
547.25470	1.7
591.13458	14.7
592.13965	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01403	1.6
51.50257	1.8
57.03452	3.1
58.00611	2.4
59.01380	57.1
61.98835	9.3
67.90619	1.6
71.01385	37.9
72.99287	4.1
73.02938	21.2
77.35218	1.8
83.01397	4.6
83.16679	2.0
85.02957	12.4
87.00874	7.6
89.02438	20.3
97.02967	4.4
99.00898	2.8
99.04522	3.1
99.92580	6.2
101.02447	36.4
103.04011	16.7
113.02460	5.0
115.00374	3.4
115.04015	4.9
115.92059	8.0
116.92857	22.5
119.03522	8.1
119.04996	4.4
125.02454	12.2
128.00380	1.8
128.03587	2.4
131.03491	3.3
133.01443	6.3
135.01770	2.5
138.06860	6.7
143.03499	6.7
145.05070	5.5
149.06046	2.4
149.99631	2.1
150.84557	1.7
151.07681	5.3
152.08403	12.8
153.09203	22.2
154.38358	1.9
158.93951	3.2
163.03990	6.7
163.06119	29.5
163.11234	2.0
164.00685	1.8
164.04292	2.3
203.12808	3.2
205.07117	11.0
205.12317	49.4
247.08145	3.4
255.02950	2.7
265.09259	3.5
272.67047	1.9
274.61240	2.0
283.02518	3.6
285.00452	2.3
285.04007	2.3
299.01950	3.0
300.02679	2.3
307.10306	5.6
313.00006	3.6
328.02280	7.4
329.03052	6.4
342.03833	5.5
343.04526	9.8
372.04578	2.9
386.06604	9.6
387.07111	18.4
531.24469	100.0
532.24780	8.7
591.13470	16.3
591.21838	2.8
592.13715	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	591.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12685	1.1
59.01376	61.7
60.99303	4.4
66.21045	1.2
71.01380	3.4
75.00889	1.0
85.02936	2.0
85.06582	2.7
88.98803	29.0
89.02433	2.6
91.27197	1.1
98.19892	3.2
101.02449	2.1
101.06081	3.2
101.17490	1.1
103.00368	12.8
113.06108	7.4
113.09747	2.2
129.05547	7.1
131.07118	3.0
157.08698	2.5
175.09744	100.0
176.10126	2.5
197.15433	7.6
217.10788	24.8
225.14970	8.6
243.15985	48.9
244.16275	1.9
261.09729	1.5
285.17062	28.7
286.17068	1.4
328.01962	1.2
343.04669	1.3
386.06473	1.6
387.07083	2.4
447.21832	1.2
547.10895	2.1
547.27533	2.1
591.12769	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	591.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.5
58.00577	3.0
59.01379	88.9
61.98531	2.1
61.98828	22.2
62.11553	1.2
62.44192	1.5
69.03429	1.8
69.21275	8.9
69.21686	3.0
71.01382	69.6
72.99294	5.0
73.02942	20.5
83.01389	4.2
85.02951	15.6
87.00878	3.3
88.98824	7.4
89.02444	89.9
94.74319	1.3
95.01392	1.9
97.02976	2.4
99.00264	2.2
99.00879	25.6
99.04541	1.9
101.02442	47.0
103.00374	6.7
113.02460	16.1
119.03469	5.0
125.02427	7.1
131.03505	15.5
143.03456	4.8
149.04552	70.7
161.04550	9.3
171.10139	1.9
178.68060	1.3
179.05594	1.8
191.05598	14.2
201.11218	2.2
221.06593	6.9
233.06714	1.9
251.07790	9.3
261.66623	1.6
293.08755	4.7
311.09769	6.3
385.10562	1.5
387.02695	1.6
399.23822	11.8
443.81509	1.5
487.32489	2.7
495.01242	1.4
531.28076	100.0
532.28571	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	591.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96249	0.1
57.03449	0.4
59.01378	10.4
59.41992	0.1
60.01728	0.2
61.98829	100.0
63.86771	0.1
66.91584	0.2
69.03425	0.2
69.75349	0.3
69.75741	0.5
71.01383	5.1
72.01733	0.3
72.99313	0.4
73.02950	1.6
81.83464	0.1
83.01395	0.5
85.02942	1.1
87.00880	0.5
88.98789	0.2
89.02441	7.6
90.02814	0.2
94.02991	0.5
94.91226	0.2
95.01353	0.2
97.02943	0.3
99.00884	2.0
101.02435	3.9
102.02805	0.2
103.02868	0.1
111.00891	0.2
113.02444	1.3
119.03503	0.4
125.02469	0.3
127.22781	0.2
131.03499	1.0
143.03484	0.4
147.11833	0.3
148.12175	0.2
149.04555	5.9
150.04970	0.2
159.10258	0.2
161.04591	0.9
163.69470	0.1
191.05569	1.1
221.06633	0.7
251.07619	0.9
257.52341	0.2
274.10715	0.2
290.93103	0.2
293.08908	0.5
311.09888	0.6
367.79135	0.2
399.23160	0.3
487.32617	3.4
488.33221	0.2
505.33484	1.2
526.84650	0.2
530.26941	0.4
531.27380	5.1
532.28284	0.3
551.07776	0.2
591.32611	0.2
597.31458	0.2
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
50.56181	1.0
55.01865	2.3
57.03438	3.2
59.01380	100.0
60.99304	1.6
61.98830	10.9
62.88530	1.0
67.38972	1.0
69.03455	1.6
71.01379	35.5
71.52934	1.5
72.01744	1.3
73.02947	8.7
75.00897	1.7
80.02056	1.0
83.01384	3.7
85.02941	14.0
87.00863	2.9
88.98808	10.5
89.02454	20.7
90.37884	1.1
95.01393	3.0
99.00867	5.5
99.04465	1.1
101.02448	22.9
103.00367	2.5
113.02453	13.2
119.03475	2.9
125.02409	2.8
131.03484	4.1
134.78209	0.9
143.03494	2.7
149.04567	13.7
159.02931	1.7
161.04546	7.1
170.60069	1.0
171.10370	1.7
191.05603	2.9
201.11270	1.3
207.27008	1.0
208.74037	1.0
342.61777	1.0
399.23773	3.3
469.31686	3.7
487.32718	41.0
488.32779	3.7
505.33667	12.1
531.27966	47.3
532.28394	4.5
547.34875	2.5
572.77429	1.2
591.33118	2.2
610.44812	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02405	0.6
53.97332	0.6
55.01872	1.2
57.03461	1.3
59.01380	100.0
61.98827	8.1
69.03447	0.7
69.21374	0.7
69.21740	6.1
71.01384	22.7
72.99317	1.2
73.02950	5.8
76.91551	0.6
77.70947	0.7
83.01385	3.0
85.02951	11.6
87.00896	2.4
88.98802	0.6
89.02438	7.7
89.02851	0.7
94.03008	0.9
95.01418	2.6
97.02940	0.9
99.00895	3.4
99.04534	0.8
101.02452	12.9
111.00906	1.8
113.02451	12.2
117.09035	0.6
119.03521	1.9
125.02473	1.7
131.03537	1.0
143.03546	2.0
147.78543	0.7
149.04576	2.7
159.03113	0.9
161.04552	6.6
171.10336	0.8
171.13966	2.4
173.50310	0.7
186.73920	0.6
191.05670	0.7
204.49466	0.7
241.22777	0.6
315.18201	1.0
325.27432	1.0
333.19406	1.7
343.28583	2.2
487.32745	54.5
488.33078	5.5
505.33868	20.0
505.41083	1.2
506.34326	2.0
531.32709	6.3
547.35034	6.0
556.40997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03444	2.5
58.00575	1.3
58.42314	0.9
59.01380	100.0
61.91835	0.9
61.98829	47.3
71.01382	20.2
71.05014	1.3
71.51914	2.1
73.02943	5.3
83.01369	4.1
85.02947	9.4
87.00871	2.4
89.02448	10.7
95.01373	2.4
99.00856	1.4
101.02441	17.3
111.00883	1.4
113.02451	11.1
116.92815	1.0
119.03502	3.6
125.02411	1.8
143.03549	1.9
149.04578	2.5
157.12360	1.6
161.04567	4.6
171.13864	2.3
179.05585	1.6
213.08978	1.0
254.62869	0.9
279.23090	1.1
325.27280	1.3
331.43698	1.1
343.28635	4.8
367.28546	2.9
439.30606	1.3
463.43912	1.1
487.32748	66.9
488.33041	7.0
492.06512	1.2
505.33923	22.9
506.33957	2.6
531.27686	5.6
535.23401	1.2
547.35187	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	592.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98829	100.0
62.98515	0.1
69.21564	0.8
71.01391	0.4
85.02958	0.1
89.02455	0.4
101.02449	0.3
144.27652	0.1
149.04556	0.3
188.27345	0.1
191.05536	0.1
389.20337	0.1
414.47028	0.1
488.33160	0.2
506.34464	0.1
532.28162	0.4
533.29425	0.2
540.73206	0.1
577.16870	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	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
61.98828	100.0
70.88876	0.4
73.01724	0.4
78.95898	0.5
79.95731	0.7
80.96038	0.5
80.96507	2.2
90.22618	0.4
90.24857	0.5
94.98107	0.9
121.02969	1.1
200.79753	0.5
209.04553	0.8
225.00842	1.0
283.47211	0.4
295.22482	0.6
593.14288	0.4
593.17645	0.5
593.26428	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	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.7
61.98828	100.0
71.01392	0.8
71.52007	0.8
79.95734	1.1
80.96513	3.6
94.98144	0.6
130.66615	0.5
149.28374	0.4
152.98643	0.5
165.74091	0.5
193.35370	0.5
225.00839	0.9
268.54971	0.5
280.79379	0.4
301.25314	0.5
367.63315	0.5
377.16278	0.5
395.28024	0.9
437.76550	0.4
592.25214	0.9
593.26111	8.0
593.34167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84787	0.8
59.01378	1.9
61.98831	100.0
70.65807	1.6
70.66131	1.4
71.01374	2.6
73.02957	1.0
78.95955	0.9
78.98613	1.5
79.95732	3.3
80.96519	20.7
94.98106	5.2
94.98669	0.9
121.02956	47.9
122.97536	0.9
123.40701	0.8
125.02454	1.4
136.99121	1.1
148.99141	2.0
152.98605	2.4
164.98627	3.9
165.01942	3.5
181.06528	1.7
209.04536	32.3
225.00725	5.9
249.94083	0.9
299.04385	2.0
313.07120	1.1
314.09610	0.9
420.15631	1.0
505.11475	1.2
549.10382	3.1
593.13019	6.8
593.26337	38.1
604.92902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1509
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
59.39945	0.5
71.01385	0.5
71.08502	0.4
71.13858	0.4
71.14195	0.9
72.86108	0.4
73.64295	0.5
79.47699	0.5
83.01423	0.5
93.03448	1.3
98.58852	0.5
104.71775	0.5
117.03446	5.6
119.04988	1.2
133.06580	0.5
135.04500	1.9
147.04492	0.9
148.08383	0.5
149.02403	0.6
149.06009	0.6
159.04485	0.8
161.02454	2.2
162.03137	0.5
163.03992	1.2
175.03990	1.8
177.05603	1.7
187.04005	0.9
189.01854	0.9
189.05522	0.8
191.03513	1.0
203.03525	1.1
205.05127	0.7
221.04442	0.6
233.04413	0.5
251.07121	0.5
267.06607	1.2
268.02991	0.5
268.07239	0.6
281.04568	1.2
282.05225	1.6
283.06006	2.9
290.53503	0.5
294.05383	0.6
295.06055	5.0
296.06937	2.2
297.07657	21.3
297.11050	1.1
298.07971	1.5
307.06143	1.9
309.07529	2.7
311.05466	2.7
322.04877	0.8
323.05661	3.6
324.06543	1.0
325.07114	10.7
326.07480	0.7
328.05820	3.0
335.05539	1.2
337.07144	3.1
349.06915	0.5
351.05002	0.8
353.06625	45.9
354.07031	4.1
355.08148	1.3
365.06619	5.1
383.07700	28.4
384.08026	2.2
395.07623	4.5
397.09244	0.7
413.08801	3.1
425.08234	0.7
473.10864	11.0
474.11218	0.7
503.11682	2.3
561.70996	0.5
575.13953	0.6
593.15070	100.0
594.15466	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	593.2634
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01365	2.0
61.98831	38.7
63.96223	1.0
65.48695	0.9
66.03260	0.9
69.03461	0.9
71.01377	5.1
71.21826	1.8
73.02947	1.3
78.98579	4.9
79.95734	8.0
80.96516	55.5
81.03480	1.0
85.02931	2.7
86.42118	0.8
87.00857	2.6
94.98081	12.7
96.95989	1.1
97.02944	1.9
101.02413	1.5
106.98090	1.8
121.02954	100.0
122.03281	2.8
122.97562	2.3
125.02408	2.6
134.97546	3.4
136.99084	1.3
148.99107	5.1
152.98619	5.4
164.98648	9.1
165.01912	3.4
181.06548	1.9
197.06013	1.4
206.99651	2.3
209.04543	59.7
210.04845	2.1
225.00729	11.3
225.05563	3.4
265.14209	0.9
299.04401	2.9
313.07260	2.0
357.06137	1.1
361.77182	0.9
405.38998	0.8
417.09863	1.2
499.82675	0.9
505.10959	2.4
549.10370	6.9
593.12964	12.3
593.26312	91.0
594.13367	1.2
594.26611	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	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78492	0.4
59.01373	1.0
59.81054	0.5
62.66553	0.4
62.96400	0.4
67.29634	0.5
70.73910	0.6
70.74247	0.9
78.95904	64.2
96.96962	12.0
100.32301	0.5
115.09394	0.4
140.52733	0.5
145.37695	0.4
147.83069	0.4
150.98007	0.8
152.99583	92.1
153.99878	0.7
171.00641	2.5
182.15152	0.5
214.15324	0.5
220.18156	0.5
222.50635	0.5
223.00114	10.8
241.01178	23.4
250.30084	0.5
259.02167	1.6
263.49881	0.5
275.20227	0.6
277.21719	46.8
278.22037	3.0
315.04874	15.4
333.06082	0.7
593.27301	100.0
594.27582	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	594.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	57.0
61.98827	1.6
62.73926	1.3
71.01387	2.2
85.02905	2.0
98.06755	1.2
99.04529	8.6
103.00360	5.4
115.04005	6.2
115.07686	1.7
117.03433	1.6
117.05563	4.9
119.05025	5.0
143.07100	2.7
161.08192	100.0
185.09531	1.5
203.09248	24.2
268.30856	1.5
297.07516	5.2
298.07993	5.6
313.07135	2.7
325.07083	2.4
353.06760	8.6
354.06955	16.5
355.08258	6.5
383.07471	4.2
384.08008	10.2
385.09149	5.1
415.10040	1.8
474.11163	7.9
475.12274	4.3
496.70068	1.4
594.15387	56.0
595.16272	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.1
61.98829	100.0
62.98528	0.1
69.21371	0.2
69.21770	0.6
71.01375	0.2
91.18965	0.1
126.15569	0.1
221.61656	0.1
225.16528	0.1
265.53384	0.1
336.82852	0.1
534.29370	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	594.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39698	0.2
51.61047	0.1
53.50823	0.1
57.03438	0.3
59.01377	0.9
59.30263	0.1
60.99303	0.2
61.98829	100.0
62.98548	0.2
64.13177	0.1
69.19679	0.8
69.20098	0.6
71.01389	0.6
85.02999	0.3
88.98795	0.9
89.02430	0.2
96.96037	0.3
99.00893	0.2
99.04549	0.3
101.02464	0.3
102.02773	0.1
108.58735	0.2
116.92859	0.3
119.05051	0.4
125.02482	0.2
126.88931	0.2
143.59206	0.1
163.04044	0.3
171.10251	0.2
231.22870	0.1
285.04135	0.2
309.09085	0.2
345.04242	0.3
361.03580	0.5
390.03928	0.4
391.04767	0.4
531.28442	0.2
534.30463	0.3
595.11090	0.7
595.31793	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81282	0.1
57.03458	0.2
59.01364	0.6
61.98829	100.0
63.08575	0.1
69.91849	0.5
71.01398	0.3
81.38313	0.1
83.01401	0.1
99.92558	0.2
101.02435	0.3
113.02456	0.2
116.92893	0.4
142.32890	0.1
149.04633	0.1
155.10779	0.2
181.86902	0.2
261.88687	0.1
357.26392	0.1
411.64417	0.1
488.06143	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	594.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65225	0.1
55.53535	0.2
56.09848	0.1
57.03157	0.2
57.03434	0.3
59.01371	1.2
61.98829	100.0
70.66013	0.4
71.01384	0.5
74.02461	0.2
78.66998	0.2
85.02955	0.2
88.98816	0.5
89.02441	0.2
91.11166	0.2
99.92609	0.4
101.02454	0.2
158.96925	0.2
165.04370	0.2
239.55034	0.2
263.99442	0.2
283.55267	0.2
300.36450	0.2
382.39038	0.2
450.20627	0.2
534.30182	0.5
550.27411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1666
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
51.15942	0.6
57.61637	0.7
58.07959	0.7
59.01363	2.5
68.99791	1.3
69.03445	0.7
70.70805	0.7
70.99915	1.1
71.00248	1.1
71.01377	1.6
79.01897	1.6
81.03464	1.3
83.01391	2.9
93.03469	6.5
95.01385	2.6
97.02953	3.6
99.00844	1.4
99.31561	0.8
107.01385	5.5
107.04982	1.1
109.02934	2.4
111.04508	1.6
116.92843	1.2
119.05030	37.4
121.02940	4.0
123.00905	1.4
123.04508	2.4
125.02410	6.7
133.02962	1.1
135.04536	1.9
136.01642	1.0
137.02455	5.5
137.06049	0.9
139.04022	5.4
143.05025	5.9
145.02936	5.8
147.04541	2.7
149.02412	4.7
150.03223	1.0
151.00369	4.3
151.03951	2.1
155.03445	1.1
159.04446	1.0
161.02403	1.2
161.06068	2.3
161.08156	2.1
162.08446	0.8
163.00349	3.2
163.04004	3.3
164.01111	0.7
165.01920	6.0
167.02393	0.8
167.03511	8.7
173.05914	0.8
175.04036	1.4
177.01913	4.5
177.05518	1.2
178.02661	1.7
179.03477	2.9
181.05066	1.0
185.06044	1.1
187.03969	6.4
189.01860	1.3
191.03557	3.5
192.00500	0.8
193.01414	9.1
193.05061	1.1
197.04533	2.7
199.07590	2.6
202.99905	1.0
203.09241	0.9
205.01395	6.6
206.02138	1.8
207.02989	4.2
209.04550	4.3
217.01453	1.7
219.02963	2.9
221.04506	1.7
223.02481	2.2
227.07162	2.0
231.02954	0.8
233.04570	0.9
235.02461	13.0
239.05443	1.7
241.08766	0.9
243.06635	1.1
245.08186	0.9
247.02344	2.4
249.03902	1.4
251.05800	0.7
261.03918	1.9
265.03488	6.3
265.08499	1.3
267.06570	0.8
269.08270	0.8
271.06018	4.4
283.06165	1.4
295.04623	1.0
313.07138	16.9
325.07193	7.7
339.08810	1.2
343.08160	6.1
343.22690	0.7
353.06512	1.3
355.08188	76.1
356.08490	5.4
367.08179	2.9
369.09595	0.8
385.09280	56.7
386.09634	3.9
397.09164	2.7
399.10742	1.0
415.10287	18.0
427.10251	1.6
457.11331	7.9
475.12445	34.9
476.12646	3.2
487.12286	4.0
505.13464	9.7
506.13342	0.8
577.15582	4.5
595.16626	100.0
596.16895	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	595.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.6
59.01380	26.8
61.98830	42.3
69.25630	2.2
69.26051	4.2
71.01380	7.2
71.28938	0.7
72.99303	1.0
73.02943	7.7
74.98004	0.6
75.00889	1.0
80.91680	0.9
83.01383	13.5
85.02955	3.7
88.98835	1.4
89.02464	1.8
93.03457	1.4
97.02898	0.9
99.00914	0.9
99.04513	1.2
101.02451	6.7
103.00384	2.0
111.44274	0.8
113.02454	2.8
117.03509	0.9
119.05027	100.0
120.05383	1.6
125.02419	1.6
134.03760	2.2
139.00331	0.9
139.11282	1.8
149.06134	0.9
155.10793	1.6
157.01379	4.7
161.04546	1.2
163.04008	60.6
164.04352	1.4
167.10750	1.7
171.10283	7.4
175.04030	0.9
181.12350	1.2
181.50626	0.7
183.10251	2.2
193.05016	1.7
209.11813	2.4
217.05028	0.9
225.03801	0.9
225.11366	1.6
225.14964	2.9
227.03618	0.8
227.12869	11.8
228.03931	1.1
228.13188	0.8
235.05995	1.0
243.12350	7.1
255.03018	1.9
256.03253	1.1
257.03580	0.9
269.13776	2.3
283.11996	0.9
284.03268	1.8
285.03772	3.8
286.04135	3.1
287.04477	1.3
287.14957	6.1
291.18039	2.4
371.17105	0.9
373.25891	0.9
377.48709	0.8
401.14023	0.9
419.15656	1.5
423.22403	15.8
431.19244	5.3
503.16321	1.1
507.18881	1.3
577.22919	2.9
595.13776	5.2
595.23810	50.0
596.15070	0.9
596.23834	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	595.2888
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01384	0.6
61.98841	0.7
69.08826	0.5
72.13673	0.6
78.22984	0.6
78.95903	62.1
80.91678	2.4
91.90220	0.4
96.96965	12.6
139.38370	0.5
144.73903	0.5
150.22182	0.5
150.98007	1.6
152.99583	93.9
153.99855	1.3
171.00603	2.5
180.76118	0.5
199.40346	0.6
223.00110	10.2
241.01176	21.9
242.01328	0.7
259.02249	1.6
279.23282	66.7
280.23624	5.3
315.04871	12.9
330.50150	0.5
333.05774	1.0
595.28864	100.0
596.29132	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21322	0.4
59.48781	0.4
60.12843	0.4
70.99734	0.7
71.00067	0.7
78.95901	54.8
96.96957	12.1
98.09946	0.4
150.98038	0.7
152.99583	81.3
153.99925	0.9
171.00623	2.6
200.13066	0.4
223.00101	8.4
241.01183	21.6
242.01378	0.5
252.76495	0.4
259.02206	1.6
261.22073	0.6
267.78922	0.4
279.23279	59.1
280.23599	5.0
285.31458	0.5
296.26801	0.4
315.04883	11.1
333.05826	1.2
451.16153	0.5
595.28876	100.0
596.29266	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.289
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.86432	1.1
61.98827	2.3
62.70951	1.3
71.51650	1.5
74.69445	1.2
78.91872	2.6
78.95904	59.5
96.96970	15.3
99.92825	1.0
105.76637	1.3
119.25101	1.1
125.07211	1.1
129.72099	1.2
152.99580	49.7
184.01801	1.2
223.00066	1.9
241.01175	25.7
279.23294	55.4
280.23669	2.1
315.04880	7.8
415.22562	3.9
512.56854	1.2
595.28906	100.0
595.37195	4.0
596.29260	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	595.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03446	1.8
58.00595	1.1
59.01378	33.6
61.98831	100.0
66.03495	0.8
69.03460	2.1
69.71783	2.9
69.72196	1.7
71.01384	29.5
71.05029	3.0
72.99321	2.7
73.02946	11.2
75.00870	1.9
75.76371	0.6
81.03449	3.6
83.01379	9.8
85.02946	11.9
87.00906	3.4
89.02446	12.0
93.03442	1.2
95.01414	2.8
95.05050	2.3
97.02950	4.8
99.00877	4.3
99.04536	1.8
101.02447	22.0
102.98589	2.0
103.00385	1.1
103.04031	4.8
107.05048	1.0
109.02957	1.2
111.00855	0.8
111.04559	2.2
112.02304	2.4
113.02461	8.3
115.04047	1.7
117.03486	0.8
119.03529	5.1
119.05007	0.8
121.02977	2.2
123.04517	8.7
123.08144	0.9
125.02453	16.4
126.02789	0.9
131.03491	1.5
135.04543	1.1
137.02458	3.3
137.06117	1.0
137.09694	0.9
139.04021	1.1
139.07649	2.0
143.03539	2.4
145.05037	1.4
147.04504	1.2
149.04591	2.4
149.06129	1.0
151.04037	2.4
153.05598	1.2
153.09256	1.4
155.10791	11.3
161.04561	6.5
163.00513	0.7
163.04034	1.1
163.06139	5.9
164.07208	1.3
165.05562	1.5
167.03490	13.3
179.03523	3.3
179.05637	1.2
179.24898	0.9
181.05037	0.9
191.03596	1.1
193.05141	0.8
197.04539	4.9
205.07211	2.1
206.08310	2.9
207.02968	0.8
209.04541	26.2
210.04927	1.2
221.04646	1.5
227.16516	16.5
228.16971	1.0
239.05589	22.1
240.05933	1.3
247.08281	2.0
251.05698	1.4
269.06711	9.6
295.08224	1.4
307.10422	2.9
312.06046	1.1
313.06305	0.9
313.09262	3.6
325.09418	1.2
329.08850	1.7
343.10190	1.1
355.07501	1.2
371.07666	13.5
372.08182	1.4
383.08249	1.1
388.64096	0.8
389.21817	12.2
401.08688	11.3
431.10208	2.6
433.13831	2.1
433.21280	1.0
457.11548	1.2
475.12448	6.6
476.12805	0.8
491.12173	2.6
505.14069	1.0
521.12494	0.8
535.27618	84.2
536.28046	9.5
595.15924	10.9
595.26288	0.9
595.29852	1.1
596.17261	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.089
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60751	1.9
71.52591	3.2
86.39763	2.4
130.40865	2.4
158.54474	2.4
163.00327	4.0
187.03842	3.1
227.03458	23.3
229.04898	8.0
255.02974	51.8
256.03360	4.6
260.73083	2.7
284.03250	77.8
285.04013	87.0
286.04349	4.7
332.20383	2.5
348.97174	2.3
489.10349	100.0
490.10608	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	596.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95407	1.1
58.00575	1.8
59.01378	58.1
59.67197	1.2
61.98813	4.2
66.11572	1.3
70.14483	3.9
71.01382	43.3
72.00919	6.2
72.99321	1.7
73.02934	13.7
74.02466	10.2
85.02946	4.5
85.50838	1.2
89.02444	97.6
90.25456	1.1
96.95987	2.1
97.02961	2.3
99.00881	27.9
101.02442	44.3
113.02467	8.8
116.05064	36.8
119.03468	3.9
123.04532	1.3
125.02439	4.5
130.06635	1.8
131.03505	22.8
131.20764	1.4
142.06638	9.7
143.03502	7.1
149.04553	100.0
159.09253	5.1
161.03329	1.5
161.04561	7.6
167.03433	1.4
177.91566	1.4
191.05603	24.3
203.08250	54.6
204.08548	1.5
209.04457	2.3
221.06621	10.0
239.05511	1.4
251.07753	11.4
275.07648	2.1
293.08792	5.9
311.09824	13.4
329.03577	1.1
356.08371	1.2
392.15472	2.6
546.41040	1.3
596.17151	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	597.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.7
59.01376	6.5
61.98837	1.8
69.03453	2.2
69.80065	2.8
69.80453	2.5
71.01382	6.5
73.02940	2.1
81.03452	14.4
83.01376	15.7
85.02956	3.5
93.03452	3.1
95.01400	6.7
95.05023	7.0
97.02940	10.0
99.04514	5.7
101.02452	1.4
102.99731	1.8
103.00375	23.0
104.10220	1.0
107.05029	1.4
108.02098	1.4
109.02969	8.3
111.04528	5.2
113.02458	4.6
115.00341	1.3
119.05008	3.8
121.02946	4.6
121.06561	1.9
123.00871	1.7
123.04529	29.5
125.02443	45.4
125.06067	1.7
133.02945	23.6
135.04494	5.8
137.02431	14.5
137.06064	3.9
138.03192	1.6
139.03992	5.5
145.02951	1.4
147.04475	2.3
149.02432	3.6
149.06018	2.1
151.03993	9.0
153.05530	2.9
155.03479	1.4
158.04929	2.0
158.06113	16.7
158.61273	1.0
161.02435	1.2
163.04056	6.4
165.01837	2.1
165.05524	6.1
166.02739	1.0
167.03493	61.9
167.98181	1.0
171.08124	1.3
175.03961	1.9
177.01927	10.3
177.05562	3.1
179.03491	16.4
181.05048	2.9
183.11864	1.0
191.03474	2.7
193.01328	1.8
193.05069	2.6
197.04538	20.7
198.04716	1.0
198.09158	3.0
205.01459	1.5
206.02129	2.2
207.02873	2.2
209.04543	100.0
210.04926	4.5
218.84227	1.2
219.02766	1.2
220.03619	1.2
221.04477	6.9
233.04523	2.3
235.02478	4.2
236.80542	1.1
238.23143	1.2
239.05583	80.8
240.05977	3.0
247.02556	2.8
251.05609	6.4
262.98438	1.2
263.05499	2.5
265.03281	1.5
269.06644	37.3
270.07172	1.1
277.03555	15.8
278.04144	1.9
281.06671	10.4
289.03604	1.6
293.06845	1.4
299.07693	16.8
307.04523	11.3
311.07651	6.4
329.08734	12.9
337.05557	3.9
341.08774	2.2
349.05576	2.0
359.09662	2.2
367.06708	5.0
383.09616	1.9
387.07196	62.9
388.07574	2.8
397.07730	3.6
399.07089	2.3
401.10718	2.5
404.13229	2.2
417.02866	2.3
417.08243	35.2
418.08459	1.7
419.11829	12.5
422.14352	7.8
447.09378	9.5
453.09393	1.2
459.09317	6.6
477.10345	29.3
478.10736	2.1
487.10870	2.0
489.10379	5.5
507.11319	18.2
508.12531	2.1
579.13422	4.3
597.14624	12.9
598.17871	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	597.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28844	0.8
55.01885	1.2
57.03448	87.6
59.01379	85.7
60.01728	1.0
61.98829	21.5
69.18816	1.9
69.19220	8.3
71.01382	24.0
71.19758	0.8
72.99303	1.1
73.02945	19.0
75.00909	1.0
79.05517	1.2
81.03456	2.3
83.01389	7.5
85.02950	5.1
87.00871	2.1
89.02436	14.1
92.51571	0.8
95.01400	1.6
97.06597	1.1
97.19847	0.8
99.00916	1.0
99.04519	100.0
100.04848	1.4
101.02439	46.7
102.02815	1.0
113.02442	11.5
113.06036	0.8
114.74023	1.1
119.03502	7.8
119.74007	0.9
123.04528	8.2
125.02452	47.9
125.83949	0.9
131.03508	1.7
131.53763	1.1
136.07652	3.1
141.05579	1.8
143.03482	5.3
149.04547	4.7
153.05583	1.5
157.58876	0.9
159.93860	1.0
161.04568	11.0
179.05554	4.8
221.06631	1.8
261.18735	6.1
349.95074	0.9
356.11258	1.1
386.10910	1.0
405.22650	3.7
423.23877	6.3
435.23853	10.6
453.24945	6.8
465.25021	1.4
476.17966	1.9
495.25922	5.3
508.20792	2.6
535.28503	1.3
553.30524	1.4
597.29053	15.1
598.29877	2.4
617.02991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97738	0.4
58.00603	0.6
59.01380	16.3
61.98831	0.5
69.71660	2.5
71.01383	5.0
73.02935	0.6
75.00881	0.9
83.01404	0.7
85.02976	0.9
87.00879	1.0
89.02453	1.7
91.84457	0.4
95.01369	0.6
97.02955	0.7
101.02446	2.0
103.00372	100.0
104.00672	1.0
113.02417	0.9
115.00372	2.2
117.03430	0.8
119.03540	0.7
119.05026	5.4
121.02958	1.2
125.02458	0.7
143.03564	0.4
145.02936	3.1
158.06107	47.7
159.06456	0.9
162.03285	1.1
163.04021	4.0
171.08098	2.8
173.71764	0.4
175.02501	2.6
175.03790	0.5
187.04041	0.5
198.09239	5.5
235.06136	0.5
242.08252	2.1
249.95216	0.4
260.09244	1.7
404.13458	3.4
422.14539	20.1
423.14883	1.3
464.15729	1.6
505.93985	0.5
508.14673	1.4
531.04529	0.5
598.17706	11.4
599.17108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.6
59.01378	15.0
59.34474	0.3
61.98829	0.7
69.60820	2.5
70.06445	0.3
70.24895	0.4
71.01382	4.7
72.99304	0.5
73.02934	0.5
75.00865	0.8
77.66098	0.4
78.06234	0.4
83.01385	0.8
85.02948	0.6
86.81496	0.3
87.00877	1.7
88.14870	0.4
89.02431	1.5
93.03480	0.6
95.01408	0.5
96.55660	0.4
97.02945	0.8
98.20695	0.8
101.02445	2.0
103.00373	100.0
104.00689	0.8
109.02933	0.5
110.02499	0.5
113.02449	0.9
115.00366	2.0
119.03564	0.9
119.05018	5.6
121.02971	0.5
123.04501	0.5
125.02451	1.2
126.02819	0.6
137.02403	0.5
145.02985	2.6
151.03970	0.5
156.05829	0.5
158.06110	39.8
159.06381	1.1
161.06030	0.6
163.03992	4.0
167.03444	0.9
171.08130	3.5
175.02534	2.5
175.03807	0.5
198.09235	5.9
204.95457	0.4
209.04523	1.3
210.04939	0.9
239.05682	0.9
240.06020	0.6
242.08344	0.6
260.09204	2.2
269.06677	0.5
270.06726	0.4
283.98389	0.4
300.08121	0.4
314.10504	0.5
352.07184	0.4
388.07614	1.0
404.13614	5.7
405.13751	0.7
418.08698	1.1
422.14566	20.4
423.14832	1.2
426.33765	0.4
464.15845	1.5
508.14371	1.3
598.17743	13.4
599.18140	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	598.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
60.01751	0.2
61.98819	0.3
64.02509	0.2
66.92363	0.2
69.16396	1.1
69.16821	0.7
79.95735	2.4
92.78689	0.2
95.59682	0.2
96.96011	100.0
97.93121	0.6
97.95919	0.3
113.92606	0.4
114.93426	1.0
119.16680	0.2
120.60458	0.2
137.09700	0.3
148.19855	0.2
161.39777	0.2
161.90942	0.2
239.12889	0.7
241.27048	0.2
337.18582	0.2
500.21808	0.5
598.14301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02668	0.4
58.00599	0.7
59.01379	11.9
61.98829	100.0
69.51527	1.9
69.51933	1.0
70.31516	0.4
71.01382	7.2
72.99306	0.8
73.02950	0.7
83.01392	0.7
85.02953	2.2
89.02446	5.8
93.03481	0.6
101.02446	4.7
103.00402	0.5
104.05076	1.5
106.06670	1.1
108.04562	1.9
113.02434	2.6
119.03498	2.0
119.05062	1.4
127.05157	0.5
129.10359	0.5
130.08775	1.4
132.04550	15.3
132.05499	0.8
133.04955	1.1
134.06111	10.0
145.02979	0.5
148.04053	0.7
152.07173	1.0
155.10774	0.6
156.11024	0.4
158.02548	1.1
158.06133	1.2
160.04036	1.0
163.04045	1.2
172.10898	0.4
176.03494	3.2
179.03468	0.7
182.13014	0.5
188.03571	1.0
190.05067	3.8
225.16344	0.4
227.07208	0.5
235.13153	0.5
243.12169	0.5
243.14552	0.6
251.11984	1.9
255.11406	1.5
279.11359	9.5
280.11920	0.6
288.16092	1.8
289.16455	1.7
290.16629	1.1
295.10892	2.2
309.08032	0.5
314.12372	2.0
318.17065	0.6
322.69669	0.5
323.10324	6.6
323.13739	0.5
379.73199	0.4
431.18311	0.6
435.17737	2.4
459.17789	6.9
460.18005	0.8
475.17209	2.0
503.16687	47.2
504.17065	4.5
517.18188	8.9
518.18591	0.9
535.19312	39.9
536.19751	3.4
537.29297	0.8
538.29877	2.2
598.24933	1.1
598.35822	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	598.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.1
59.01371	3.0
60.99319	5.6
61.98832	20.3
69.66766	3.5
71.01383	2.0
80.05038	1.2
88.98811	18.2
89.02450	1.1
92.74066	0.8
99.04508	2.7
101.02486	1.5
104.05039	1.2
108.08182	3.0
121.05330	2.2
122.06117	2.0
132.04552	3.5
134.06125	1.1
135.03297	0.8
136.07681	71.6
137.08003	2.1
150.05571	1.6
153.04341	1.1
158.02391	1.2
160.04034	3.4
161.04979	0.7
162.05659	1.7
164.07033	0.8
172.04027	0.8
175.73352	0.9
176.03535	2.9
189.87082	0.7
190.05080	5.9
211.12193	1.0
215.11885	1.0
223.08705	2.8
224.07436	0.7
224.09462	3.6
238.11050	1.0
239.08322	1.1
239.11906	11.4
240.10358	1.6
241.09865	2.1
251.11923	3.4
253.06223	2.8
265.09851	2.4
267.07748	2.0
267.11182	0.8
268.08429	2.2
279.07712	1.1
279.11462	1.1
280.08444	1.3
281.09305	1.3
283.10870	39.1
284.11255	2.1
295.10898	9.5
296.11642	3.3
307.10748	1.7
309.08948	0.9
325.11838	2.1
339.13379	1.6
388.20477	1.4
404.19797	4.1
430.17639	3.1
432.19296	24.0
433.19757	2.2
458.17477	1.8
476.18256	100.0
477.18527	9.7
508.20886	38.6
509.21194	3.6
523.23248	2.0
566.25208	1.3
567.22095	2.0
598.26727	0.9
599.24866	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	598.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16240	0.4
57.03437	1.7
58.02975	7.3
59.01383	3.6
61.98830	12.0
63.99242	0.5
66.03499	0.7
69.15924	4.6
70.02963	0.8
71.01375	2.0
72.00901	1.0
73.02922	0.8
74.02472	16.0
81.04565	1.0
82.02970	2.0
84.04562	1.1
85.02920	0.6
86.02474	5.8
86.06104	0.7
86.99113	1.5
87.05627	3.5
87.53756	0.4
88.04028	0.8
89.02441	0.7
90.00191	1.2
96.04565	0.5
96.95992	0.7
97.04097	2.2
98.02512	0.6
99.04520	2.0
99.05636	12.2
101.02430	1.6
101.07191	2.3
102.05602	2.0
107.06140	0.6
109.04076	2.3
109.07703	0.6
111.05631	1.5
112.04050	2.3
113.02446	1.0
113.03524	0.7
113.07201	0.4
116.01746	0.9
116.92820	0.9
120.01200	0.5
123.05648	1.7
124.03094	0.5
124.04014	1.1
125.02535	0.9
125.03561	1.4
127.05146	2.6
128.03540	38.7
131.04642	0.6
135.05641	3.9
137.07214	0.9
138.39507	0.5
141.06691	3.2
143.04620	48.4
144.04980	0.6
145.06160	2.2
146.04590	5.6
153.06717	3.9
155.08276	0.4
160.00737	14.0
166.09863	2.2
167.04601	3.7
167.08249	2.5
170.03323	1.0
171.04193	0.6
171.07765	0.7
171.10271	1.1
177.03372	4.8
179.04622	9.9
181.06169	1.4
185.05675	1.2
192.07774	1.3
197.05692	2.4
198.08807	0.5
209.11914	1.0
210.08824	9.7
238.86533	0.6
242.07889	1.1
254.07808	14.3
255.08264	0.5
263.36871	0.5
272.08865	29.9
273.09064	0.6
288.06592	7.5
291.19678	0.6
306.07639	100.0
307.07892	3.6
335.22568	0.5
456.52020	0.5
469.23648	0.5
471.41415	0.5
537.79474	0.5
580.26752	0.9
598.27911	14.3
599.27777	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	598.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.2
59.01385	1.1
61.98829	100.0
69.37573	0.9
71.01385	0.4
73.02945	0.3
75.00864	0.1
75.75976	0.1
76.79536	0.1
85.02984	0.2
89.02463	0.1
96.96026	0.3
99.04522	0.2
99.92566	0.2
101.02471	0.3
104.33103	0.1
107.97114	0.1
108.36113	0.1
116.92853	0.8
119.03467	0.1
125.02441	0.3
139.11304	0.2
140.62662	0.1
151.00381	0.2
152.07181	0.2
160.78677	0.1
169.01401	0.2
179.03642	0.1
183.10176	0.3
253.85799	0.1
351.21725	0.2
373.25952	0.3
451.91907	0.1
518.27448	0.2
535.31085	1.3
562.29407	0.2
598.21826	0.2
598.30847	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96704	0.3
58.00620	0.3
59.01379	2.2
59.91705	0.3
61.39256	0.3
61.98828	2.6
63.02391	0.4
65.00328	1.6
65.07317	0.2
66.50288	0.3
66.66985	0.3
70.70808	0.7
71.01382	1.8
72.27438	0.3
73.02957	0.5
77.44255	0.3
83.01393	0.7
85.02956	0.5
85.46189	0.3
89.02441	2.0
101.02444	1.3
101.29880	0.3
102.10574	0.3
105.03455	0.4
107.01401	1.9
109.02955	0.5
111.98632	0.3
113.02458	0.6
116.92864	0.5
117.41612	0.4
119.03518	0.4
121.02942	0.5
125.02415	0.3
131.03514	0.5
133.02953	8.7
134.03755	1.7
135.04486	0.7
136.07713	0.4
137.11053	0.3
141.04506	0.3
149.02477	1.6
149.04582	0.9
149.06064	1.6
151.00375	6.0
157.38457	0.4
161.04532	0.4
171.04581	0.4
171.10344	0.6
175.03998	3.0
177.02026	0.4
183.04468	0.3
197.06035	0.3
198.03267	0.8
199.03996	2.8
201.01909	1.0
209.11823	0.6
213.05492	0.5
215.03586	0.6
217.05112	1.4
220.48859	0.3
223.04092	0.3
227.03458	0.5
241.05048	1.2
243.02928	0.8
255.03003	6.8
256.03738	4.5
257.04547	0.4
269.04355	0.6
281.04538	0.7
283.02475	9.2
283.05579	0.6
284.03253	14.2
285.04028	100.0
286.04373	4.4
467.29807	0.5
536.21088	0.6
541.15430	0.6
569.14264	0.5
581.14435	1.6
599.15485	10.6
599.34406	3.8
600.15863	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	93.6
58.00579	1.1
58.03776	1.8
59.01380	100.0
61.98832	7.5
65.13965	1.0
68.99561	2.4
69.32999	3.8
69.33420	3.0
71.01379	31.1
71.14972	0.7
72.08022	0.8
72.99314	1.1
73.02955	10.9
81.03455	2.9
81.53590	0.8
83.01374	4.9
83.05032	0.9
85.02962	5.1
87.00877	1.6
89.02441	18.8
95.01406	1.1
95.93346	0.8
96.96018	2.6
97.17529	0.9
99.04520	92.2
101.02443	37.4
101.02991	0.6
112.98600	0.9
113.02451	14.8
115.92141	0.7
116.92850	1.5
119.03499	8.2
123.04520	3.5
125.02448	40.7
129.37703	0.8
131.03484	2.0
135.04552	0.9
143.03497	6.9
144.89793	0.8
145.16304	0.8
149.04553	2.6
149.06143	0.8
161.04535	7.6
171.10291	1.1
179.05597	11.4
185.28819	0.8
220.06743	0.9
221.06593	1.4
331.22501	0.9
333.38623	0.9
351.21631	1.3
407.24283	4.7
421.05457	0.9
437.25256	4.9
455.26501	17.6
456.27332	1.5
485.22452	1.0
497.27420	5.0
540.88416	0.9
555.31866	1.3
599.22162	1.4
599.30939	24.6
600.31152	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	79.1
58.00598	1.3
58.03791	0.8
58.65929	0.4
59.01379	100.0
60.01715	0.7
61.98838	2.4
69.03455	0.4
70.49105	1.3
71.01379	28.7
72.99316	0.8
73.02943	9.9
75.00868	0.5
79.05534	0.7
81.03454	2.2
83.01387	4.7
85.02956	6.6
87.00879	2.0
89.02443	21.5
95.01369	2.4
97.06586	0.5
99.00898	0.8
99.04517	81.1
100.04864	1.4
101.02441	31.2
113.02451	14.6
113.06063	0.6
114.57136	0.4
114.76791	0.4
115.83258	0.4
116.92860	0.8
119.03517	7.6
123.04506	1.9
123.08126	0.7
125.02448	37.3
126.02827	1.0
131.03494	1.5
136.07680	0.6
143.03481	4.9
143.04491	0.5
149.04544	1.0
153.05611	0.6
161.04546	7.2
179.05611	11.7
209.11755	0.6
209.52531	0.5
221.06761	0.5
250.30164	0.4
263.20276	0.6
312.38876	0.5
351.21750	1.3
407.24219	1.0
425.25357	1.8
428.14545	0.5
437.25455	15.3
438.25815	0.9
455.26486	35.1
456.26907	3.0
497.27606	9.4
498.27994	1.0
523.23016	0.4
537.31091	2.3
555.31451	0.8
599.30743	26.1
600.30969	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	599.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	93.6
58.00579	1.1
58.03776	1.8
59.01380	100.0
61.98832	7.5
65.13965	1.0
68.99561	2.4
69.32999	3.8
69.33420	3.0
71.01379	31.1
71.14972	0.7
72.08022	0.8
72.99314	1.1
73.02955	10.9
81.03455	2.9
81.53590	0.8
83.01374	4.9
83.05032	0.9
85.02962	5.1
87.00877	1.6
89.02441	18.8
95.01406	1.1
95.93346	0.8
96.96018	2.6
97.17529	0.9
99.04520	92.2
101.02443	37.4
101.02991	0.6
112.98600	0.9
113.02451	14.8
115.92141	0.7
116.92850	1.5
119.03499	8.2
123.04520	3.5
125.02448	40.7
129.37703	0.8
131.03484	2.0
135.04552	0.9
143.03497	6.9
144.89793	0.8
145.16304	0.8
149.04553	2.6
149.06143	0.8
161.04535	7.6
171.10291	1.1
179.05597	11.4
185.28819	0.8
220.06743	0.9
221.06593	1.4
331.22501	0.9
333.38623	0.9
351.21631	1.3
407.24283	4.7
421.05457	0.9
437.25256	4.9
455.26501	17.6
456.27332	1.5
485.22452	1.0
497.27420	5.0
540.88416	0.9
555.31866	1.3
599.22162	1.4
599.30939	24.6
600.31152	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47236	5.3
57.10073	4.8
59.01374	7.1
61.98813	15.1
65.52200	4.4
69.55228	32.8
81.03473	6.7
83.01353	4.8
88.20539	4.9
88.61461	4.6
95.02139	4.8
97.02900	4.9
98.19904	9.0
123.04495	6.7
125.09707	21.1
137.09685	6.1
163.11243	18.5
165.12776	11.0
171.10236	5.8
185.11888	10.6
191.14351	13.0
207.10252	10.6
209.11789	74.4
245.19090	28.1
247.20613	5.7
275.55807	5.9
289.18118	100.0
290.18198	6.9
291.19659	34.1
307.19116	78.1
312.63474	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	600.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
66.25023	0.4
68.65560	0.3
79.36010	0.3
144.16656	0.3
151.15387	0.3
155.68121	0.4
544.21393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53716	0.9
52.00666	1.2
61.98831	100.0
69.60185	5.1
69.60590	1.5
72.29661	1.1
93.30133	1.0
100.34480	1.1
199.66629	1.2
233.46178	1.1
244.87503	1.1
267.82074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57502	0.3
55.69186	0.4
57.03451	1.8
59.01385	1.1
61.98828	1.6
62.47731	0.3
62.90940	0.3
63.02391	1.0
65.00325	15.0
70.37059	0.5
70.37425	1.1
70.53673	0.3
70.93180	0.4
71.01373	0.6
83.01387	6.2
91.05507	0.4
98.72304	0.3
106.04214	0.6
107.01391	23.3
107.04993	0.6
108.02196	2.8
108.99335	0.4
109.02939	2.3
116.92870	1.2
117.03456	0.5
119.04976	0.7
121.02966	1.2
124.01658	0.6
125.02443	13.2
131.01282	0.4
132.02182	0.5
133.02939	3.9
134.03743	12.1
135.04524	100.0
136.01656	1.7
136.04874	2.3
143.04918	0.4
145.02940	0.5
147.04538	1.5
149.06094	6.8
150.06499	0.4
151.00365	91.0
151.37245	0.3
152.00713	2.1
155.05075	0.7
159.04465	2.5
160.01636	0.9
161.02438	19.6
162.02760	0.5
163.04051	2.9
164.01134	4.7
165.01901	1.1
165.05476	0.4
169.01410	1.7
171.10242	5.2
174.03163	2.4
175.03879	0.7
177.01900	4.2
187.03978	0.5
188.04688	0.4
196.00099	3.8
198.03174	0.4
199.04027	3.2
201.01843	2.1
201.05591	1.0
211.13379	4.5
213.05519	0.5
215.03529	1.5
225.05479	0.4
227.07080	0.4
239.07182	0.3
240.04283	0.4
241.05110	1.1
242.05836	1.8
243.06622	4.4
252.15611	0.3
257.04474	1.0
258.05325	0.9
269.04431	0.7
285.04041	5.7
285.11462	0.4
286.01624	0.6
286.04803	12.3
287.05609	32.9
288.05978	1.1
313.10809	0.8
400.39014	0.4
449.16122	3.0
452.63086	0.4
457.13266	0.5
475.13919	5.1
476.14209	0.5
489.11990	0.6
507.12589	0.6
557.18024	0.6
571.15839	2.2
583.16016	4.3
584.16541	0.7
601.17139	56.0
602.17352	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	601.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49030	0.5
57.03444	1.9
58.03326	0.5
59.01370	0.7
61.98832	0.7
63.02397	0.9
65.00325	14.1
69.72884	2.9
71.25874	0.5
83.01392	4.4
91.05523	0.7
93.03473	1.1
107.01392	18.5
107.05048	1.0
108.02190	2.1
109.02955	2.7
117.03468	0.5
119.05096	0.6
121.02957	1.2
125.02448	14.2
133.02957	6.7
134.03746	11.8
135.04526	100.0
136.01680	1.6
136.04851	2.3
137.02452	1.2
145.02971	0.7
147.04446	1.4
149.06081	7.5
150.03238	2.1
151.00366	76.4
152.00723	1.7
155.04961	0.7
159.04524	1.6
160.01703	1.0
161.02440	33.0
162.02686	0.7
163.03989	3.6
164.01167	3.1
165.01971	0.6
165.05588	4.7
169.01395	0.7
171.10298	1.8
174.03249	1.4
175.03975	0.8
177.01926	6.9
196.00150	2.4
199.03969	3.5
201.01903	1.8
201.05638	0.7
211.13354	1.6
215.03514	1.0
241.05139	0.8
242.05779	0.6
243.06557	3.3
250.62534	0.6
257.04498	1.0
258.05307	0.5
285.04105	5.3
286.04797	7.8
287.05597	23.3
288.05939	1.0
449.16037	4.6
469.16949	0.5
475.14001	5.7
507.13104	0.6
557.18091	0.7
571.16064	1.7
583.15961	3.2
601.17114	53.9
602.17505	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	601.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81951	0.4
52.60590	0.4
55.01870	0.8
57.03446	97.3
58.00597	0.9
58.03778	0.8
59.01379	96.4
60.01731	0.8
61.98830	4.0
62.62793	0.5
69.03429	0.8
71.01383	22.1
71.01783	1.1
71.53103	0.8
72.99320	0.9
73.02949	7.6
75.41386	0.5
80.91652	0.7
81.03454	2.7
83.01392	3.6
85.02945	7.6
87.00902	1.2
88.98807	0.7
89.02441	11.9
89.02946	1.0
95.01358	1.0
96.96003	2.3
97.02941	0.7
99.00898	1.6
99.04515	100.0
100.04855	1.9
101.02442	33.9
109.73718	0.5
113.02449	7.8
115.91992	0.5
116.92873	0.9
119.03492	5.9
123.04533	0.8
124.21148	0.5
125.02441	34.1
126.02810	0.8
131.03542	0.5
143.03496	4.4
149.04506	1.3
150.42830	0.5
152.99603	0.5
159.02959	0.8
161.04562	6.2
179.05597	4.8
260.98581	0.5
269.18115	0.5
299.01797	0.6
305.95285	0.6
342.07727	0.5
353.23138	1.3
362.56812	0.5
384.34152	0.6
439.27075	5.6
440.20102	0.6
440.26779	0.8
457.28061	28.2
458.28485	2.1
494.07181	0.6
499.29028	6.1
539.32214	0.7
557.30011	1.2
601.32349	18.1
602.32507	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	602.209
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55902	9.4
71.01388	3.7
75.00873	22.6
85.02959	2.3
87.00867	4.9
96.96014	5.2
99.00874	4.2
114.45582	1.8
116.92901	3.7
119.05022	19.0
129.01930	14.1
145.02902	1.9
159.02983	1.6
163.03999	38.3
175.02504	2.0
177.04044	4.4
195.05092	100.0
249.00363	1.6
255.68550	1.6
280.87564	1.8
341.08755	15.9
470.01645	1.9
556.30817	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	602.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19102	0.5
57.03449	1.1
58.00602	0.6
59.01069	1.2
59.01377	35.3
61.98830	100.0
65.47675	0.5
71.01384	8.4
71.51966	0.7
72.99332	0.9
73.02943	9.5
74.03321	0.7
83.01393	4.3
85.02958	2.2
87.00922	0.9
89.02435	3.4
97.02974	0.5
99.04531	1.6
99.92561	0.5
101.02441	10.5
110.45224	0.5
111.53241	0.5
113.02451	4.5
115.92145	0.6
116.92889	1.2
119.03513	2.2
119.05061	0.8
125.02416	1.1
128.03522	0.6
131.03551	1.0
136.07629	1.3
143.03551	1.5
149.04607	2.0
160.96843	0.5
161.04543	3.9
171.10251	0.5
221.06679	1.3
265.75223	0.5
354.23907	0.7
369.65070	0.5
386.76785	0.6
405.23102	0.6
435.24084	2.7
495.26199	2.0
558.30591	0.8
559.31329	0.8
602.26129	0.6
603.24408	0.7
603.33807	0.7
610.52557	0.6
614.34613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
66.01716	0.2
67.17495	0.2
70.09292	0.2
71.43089	0.3
100.78447	0.2
106.96519	0.3
120.68248	0.2
124.65918	0.2
261.70007	0.3
454.52820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94847	0.7
61.98831	100.0
69.53745	3.4
69.54147	2.0
94.10296	0.8
98.19933	1.7
141.43948	0.7
180.98602	0.8
222.55702	0.8
245.00612	0.8
303.61691	1.1
480.74338	0.9
520.12262	0.8
581.51068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
60.99311	17.3
69.17793	4.5
69.18221	3.3
72.42622	0.8
87.00872	3.1
88.00402	9.5
88.98804	100.0
89.02443	72.4
89.99133	1.6
98.19920	1.3
103.21211	0.9
126.72089	0.8
132.08810	0.9
199.06636	0.9
292.40021	0.9
425.82892	0.9
447.34116	1.1
495.97919	0.9
552.08557	1.0
603.19714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24739	0.6
59.01376	1.4
60.99011	1.1
60.99306	17.5
61.98827	0.9
67.22411	0.7
71.43165	0.6
78.95893	1.1
87.00883	1.8
88.00409	6.3
88.98811	100.0
89.02444	36.1
89.99126	0.8
96.96011	1.4
98.19777	1.3
134.39755	0.6
277.21765	1.2
337.38309	0.6
367.66406	0.6
417.65106	0.8
464.55344	0.6
603.19958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
55.96765	1.2
57.03439	3.5
58.00588	1.8
59.01379	39.4
61.98832	8.3
62.21395	1.1
66.85574	1.1
67.73515	1.0
68.28219	1.0
70.81554	1.4
70.81886	1.8
71.01379	40.4
72.99324	2.5
73.02935	11.4
82.78509	1.1
83.01389	5.3
85.02470	1.3
85.02958	20.1
86.00062	1.2
87.00858	4.2
89.02445	15.7
95.01389	3.8
96.95998	1.2
97.02961	1.1
99.00871	3.5
99.04514	1.2
101.02442	25.4
103.04024	2.7
113.02440	19.0
115.61321	1.1
116.92848	4.9
119.03487	5.9
125.02438	2.7
131.03488	1.6
136.07684	2.6
137.02364	1.2
143.03464	3.6
143.04576	1.2
147.11790	11.5
151.00284	1.2
159.02972	2.7
159.06592	4.7
161.04553	10.6
163.06136	2.1
179.05588	5.7
205.07127	1.5
243.06772	1.2
247.08206	1.2
249.09743	3.8
268.36798	1.1
355.24655	5.2
395.15460	7.6
397.22214	9.9
543.28088	100.0
544.28333	9.8
559.30945	3.9
603.32672	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	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49636	0.5
55.01875	1.3
56.29972	0.6
57.03161	0.7
57.03447	20.2
59.01379	25.2
60.02639	0.4
61.98805	1.5
69.03428	1.5
70.53337	1.0
70.53728	1.0
71.01015	0.7
71.01384	10.9
71.05031	0.9
72.99306	1.2
73.02950	6.0
78.41217	0.5
80.30586	0.5
83.01379	2.8
83.05043	1.0
85.02937	5.0
85.06586	8.7
87.00871	1.3
88.98791	0.6
89.02444	5.4
91.12585	0.6
95.01352	1.0
97.02945	0.7
97.06568	0.6
99.00858	0.9
101.01795	0.8
101.02450	11.6
101.09706	0.8
103.04001	2.3
111.08178	0.6
113.02433	3.4
115.03928	0.7
119.03490	2.1
125.02460	1.4
125.06075	2.5
129.09207	10.6
131.03438	0.6
131.47244	0.5
137.02367	0.5
143.03494	1.4
143.10773	17.6
145.05032	0.6
147.11797	4.8
159.06638	2.8
161.04546	2.2
163.06120	10.4
167.14398	6.5
177.62021	0.5
179.05618	1.8
181.15953	8.5
205.07082	2.4
209.15329	0.9
225.71468	0.5
235.20619	2.0
249.09828	1.2
265.09271	1.5
267.23257	7.3
268.23557	1.0
304.71494	0.5
307.10513	0.9
311.25858	9.3
312.26273	0.6
337.74579	0.5
355.24860	100.0
356.25308	7.0
379.24954	8.1
380.25504	0.9
395.15695	4.9
397.22321	4.0
421.26108	0.6
543.28076	17.2
544.28552	2.4
559.31134	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	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	7.6
59.01381	51.1
61.98834	29.2
66.48907	5.2
71.01378	14.8
74.22528	5.6
89.02459	7.3
97.06618	7.9
101.02422	12.7
116.05170	5.1
116.92857	8.0
132.13185	4.9
149.41373	4.8
151.11255	10.7
154.83092	5.1
158.25298	5.2
165.12862	16.9
171.10229	11.6
181.12425	13.1
191.10751	10.7
209.11795	45.3
211.13322	12.1
212.13672	9.6
227.12871	14.2
245.19180	14.4
253.09232	34.7
263.20102	15.6
289.18088	25.0
299.58566	6.0
307.19183	100.0
375.76416	5.7
390.55270	5.5
403.18530	5.6
434.47556	5.6
445.20663	28.7
543.27551	25.6
603.32819	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
57.03440	3.1
59.01379	70.4
61.98830	7.5
69.03443	0.6
69.86986	2.1
70.55086	0.6
71.01382	20.2
72.80586	0.5
72.99281	0.6
73.02946	7.3
75.00842	0.5
80.33987	0.6
83.01384	3.8
85.02946	11.8
85.06580	1.2
87.00872	1.9
88.98788	1.0
89.02451	4.0
95.01368	2.3
97.02976	0.7
98.19929	0.8
99.00884	1.6
99.04544	0.7
101.02444	12.0
113.02462	6.7
115.92098	1.0
116.92876	4.2
119.03528	1.2
120.99609	0.7
125.02441	1.0
143.03520	0.7
159.03047	0.6
160.74796	0.6
161.04558	3.2
171.10199	0.7
211.17073	1.0
311.25977	2.1
313.00226	0.5
319.22641	1.0
337.23737	1.1
355.24872	3.0
356.35794	0.5
384.95914	0.7
419.37299	0.7
455.30341	1.4
473.31277	4.4
481.27725	1.4
483.29907	1.1
499.29099	2.0
517.30212	2.1
541.30011	1.4
559.31195	100.0
560.31488	9.4
603.33075	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	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
57.03437	2.6
59.01378	41.0
60.99281	1.2
61.98830	5.0
69.15815	8.4
71.01379	10.2
73.02938	1.9
81.03465	1.5
83.01367	2.9
83.05029	1.9
83.61262	1.0
85.02946	2.6
87.00871	1.6
88.98804	1.7
89.02437	7.2
94.92281	1.0
95.05025	2.0
97.02939	2.4
97.06560	4.5
101.02436	11.9
109.06632	1.2
113.02438	4.6
116.92850	1.7
119.03493	1.9
119.08636	1.3
121.06602	1.2
123.04522	3.0
123.08204	1.3
124.86015	1.0
125.06113	1.2
125.09702	5.2
135.08185	1.5
137.09695	4.4
143.03407	1.0
149.06137	1.2
161.04518	4.2
161.09822	1.1
163.11267	8.2
165.12843	1.7
171.10234	2.2
177.12744	1.2
179.05717	1.2
179.10876	1.2
181.12248	1.9
185.11865	8.0
186.80174	1.1
191.14401	8.3
207.10173	3.5
209.11824	21.5
210.12112	1.3
211.13333	2.1
225.11249	3.5
232.97177	1.1
235.08243	1.7
237.11327	4.2
245.19096	16.4
253.09288	42.3
254.09666	1.6
263.20132	5.2
271.16956	2.6
289.18088	100.0
290.18405	5.2
307.19147	97.1
308.19476	6.0
348.08081	1.2
445.20520	1.6
502.39651	1.1
525.26978	1.4
543.27826	2.2
584.25525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	9.6
59.01375	53.4
59.35896	3.9
61.98812	19.5
63.01300	4.8
71.01375	19.7
71.52457	5.8
73.03004	5.0
75.66203	4.3
78.89613	4.5
83.05010	5.2
85.02933	6.3
89.02406	4.5
97.06570	12.7
101.02435	7.5
113.02409	7.5
116.92838	6.2
143.03488	5.3
151.11278	10.7
151.70784	4.9
155.10748	8.0
161.04486	9.7
165.12840	15.6
171.10248	15.1
181.12337	20.4
189.21509	4.4
191.10696	8.9
195.84276	4.3
209.11819	48.1
211.13350	7.3
212.13832	6.9
227.12903	13.8
245.19086	9.0
253.09294	31.6
263.20105	20.3
289.18204	29.1
307.19159	100.0
308.19278	9.8
326.61938	4.9
346.67792	4.3
445.20908	23.4
543.28143	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	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46159	1.6
57.03459	3.3
58.19929	1.9
59.01378	34.7
61.98833	11.9
69.16208	6.1
69.16625	11.4
71.01382	10.4
73.02950	2.1
81.03439	3.0
83.01396	4.4
85.02952	3.5
88.98826	1.6
89.02416	9.8
92.94925	1.7
97.06574	5.6
98.20684	3.9
101.02436	11.5
113.02473	3.6
116.92836	2.7
123.04495	2.4
123.08192	2.1
125.09711	6.8
134.20828	1.7
135.04523	2.4
135.08159	2.8
137.02386	2.4
137.06117	2.0
137.09709	4.2
149.06032	2.1
161.04523	4.3
163.11250	9.8
165.05554	3.2
165.12892	4.1
171.10266	4.8
179.10794	2.1
185.11819	10.5
191.14420	7.8
207.10190	5.0
209.11815	19.3
211.13385	2.0
225.11316	4.7
237.11299	4.6
243.17429	2.2
245.19067	21.1
253.09271	43.7
255.08385	2.0
263.20181	5.1
271.16873	3.0
289.18082	96.9
290.18433	6.1
307.19131	100.0
308.19406	6.3
384.21182	1.9
482.35553	1.7
543.28015	6.0
616.38208	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	605.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99301	15.0
61.98825	5.6
71.51815	4.2
88.00416	5.8
88.98277	4.9
88.98812	100.0
89.02444	51.0
93.55852	2.5
281.27313	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.4
57.03439	9.3
58.00603	3.7
59.01381	69.8
61.98824	8.1
65.49489	1.7
69.03439	2.0
69.16314	10.1
69.16743	10.2
71.01382	51.3
72.99310	3.1
73.02945	16.6
83.01389	5.9
85.02958	20.9
87.00880	4.3
87.04511	3.7
89.02444	24.7
95.01372	4.1
99.00873	4.5
99.04508	6.1
101.02446	32.6
103.03999	2.8
107.73070	2.0
111.08183	10.3
113.02450	20.8
119.03476	10.2
125.02452	4.4
143.03465	6.8
159.06621	5.6
161.04552	16.5
163.06107	2.8
169.12363	2.6
171.10330	2.9
179.05557	6.4
197.11815	49.2
199.13353	3.0
205.07224	3.8
211.13377	8.0
249.09821	3.8
253.09291	33.6
263.20154	2.4
291.19662	15.0
309.20724	69.4
310.21066	3.9
364.57858	2.2
381.30038	6.2
395.15521	4.8
399.23938	22.6
542.01636	2.2
545.29626	100.0
546.29810	8.6
605.35480	12.1
606.35095	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66359	1.7
57.03443	5.6
59.01380	100.0
60.01710	1.6
61.98837	13.8
68.39321	1.7
69.18658	17.7
70.64675	2.1
71.01383	30.6
72.99307	2.1
73.02957	9.0
80.91682	2.2
83.01384	3.2
85.02949	13.6
86.21658	1.6
87.00886	2.7
87.02855	1.7
88.98810	3.3
89.02448	11.7
91.10793	1.7
95.01402	5.6
95.15683	1.6
97.02954	2.4
98.20671	4.2
99.00871	3.7
101.02448	16.9
103.00344	2.5
113.02462	19.2
119.03487	3.8
125.02450	3.9
131.03525	2.0
134.03780	2.0
137.09686	1.7
151.11455	2.0
161.04588	3.8
163.04015	2.6
163.11365	2.1
181.99905	1.6
199.03952	1.8
210.12514	2.3
215.03369	2.0
227.03456	2.2
255.02716	2.1
271.02435	2.3
284.03278	2.5
299.02011	10.8
300.02420	2.7
312.80621	1.7
314.04193	3.9
315.05063	2.4
345.16025	1.9
357.26291	4.8
391.37943	1.8
405.17990	2.4
477.45200	2.0
483.29657	9.5
501.30688	94.6
502.31216	7.5
519.31744	27.0
561.12543	6.2
561.32660	5.8
605.31921	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09750	1.0
55.01867	3.4
55.82406	0.9
57.03436	3.0
58.00591	3.1
59.01378	100.0
61.98838	5.7
69.03457	1.7
71.01380	61.9
71.28525	2.1
72.99305	4.4
73.02945	33.0
75.00877	1.1
81.03460	2.1
83.01381	12.7
85.02946	28.9
86.00103	3.6
87.00874	10.0
87.04522	3.2
87.14957	1.0
89.02444	32.3
95.01402	3.1
97.02941	5.2
99.00878	6.1
101.02441	71.8
101.06100	3.0
103.04008	22.9
113.02451	14.4
115.04002	4.9
119.03502	14.7
125.02429	13.5
127.04015	2.0
131.03493	4.9
143.03481	10.2
145.05075	7.1
146.77608	1.1
149.13374	2.9
159.03069	1.3
159.06624	22.5
161.04541	9.8
163.06125	70.1
164.06403	1.7
179.05566	3.0
205.07153	19.5
229.07132	1.3
247.08177	7.0
249.09798	5.8
265.09229	8.7
307.10321	5.9
325.11267	1.2
343.57758	1.1
378.05347	1.6
395.15530	19.9
396.15823	1.1
399.23862	19.2
400.24338	1.1
511.88614	1.0
545.29639	57.5
546.29962	5.4
546.37445	1.2
577.06305	1.1
623.81866	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.7
57.03452	6.0
58.00586	1.3
59.01379	100.0
61.98833	9.9
69.03466	1.2
71.01382	33.2
71.04999	0.8
71.52726	0.8
72.99315	2.5
73.02950	10.9
83.01390	5.9
85.02951	14.7
87.00879	2.8
88.98811	2.2
89.02452	13.0
95.01398	3.2
96.96021	0.8
97.02955	1.1
98.28368	0.6
98.96510	0.7
99.00878	3.6
99.04538	1.2
99.44712	0.6
99.92574	0.9
101.02445	20.5
108.49364	0.7
111.00896	1.2
113.02439	15.1
115.92107	1.0
116.92887	1.8
119.03511	4.1
119.05046	0.8
123.08112	0.6
125.02455	2.3
125.09719	0.8
131.03470	0.9
134.03697	0.7
139.04100	0.7
143.03493	1.8
149.06047	0.8
157.12370	1.0
159.02988	0.8
161.04582	3.6
171.10236	0.8
171.13918	0.8
173.11771	0.7
179.05641	0.9
183.13879	0.8
186.12640	0.8
199.13437	1.2
204.38104	0.7
321.24243	1.2
339.25369	2.3
357.26459	4.5
381.26300	2.6
453.52820	0.6
475.32678	2.4
483.29910	1.2
485.31073	0.8
501.30698	47.7
502.31137	4.4
519.31677	17.6
520.32312	1.3
543.31384	1.9
545.29901	3.8
561.32727	92.6
562.33160	8.3
563.30774	1.2
605.33612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05291	1.4
59.01377	18.0
66.23994	1.3
69.55980	9.1
71.01376	6.2
72.99313	1.5
82.02961	2.8
82.38297	1.2
86.06062	1.3
87.00867	2.7
89.02443	2.4
93.03458	2.1
96.07323	1.3
99.22788	1.3
100.04034	1.4
103.00372	100.0
106.70219	1.3
107.80196	1.2
115.00365	8.4
116.92846	4.0
117.03460	2.5
119.05039	26.2
132.05772	1.5
133.01411	4.6
133.06691	1.6
135.04529	1.9
141.66669	1.3
145.02957	17.1
145.06560	5.8
159.04465	2.1
161.06081	9.6
163.03987	18.5
173.06049	4.4
175.02463	6.7
177.05585	1.8
187.03998	15.6
191.07095	2.7
193.03522	36.5
205.05017	5.1
213.06047	1.5
217.04996	4.2
220.09715	2.0
235.06108	30.0
246.55524	1.3
266.10382	3.1
277.07208	6.2
321.06088	8.7
339.07175	49.1
340.07486	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	606.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.2
59.01379	0.8
61.98829	100.0
66.99993	0.2
70.81886	0.3
70.82230	0.3
71.01380	0.3
80.96518	0.3
91.23339	0.1
99.04506	0.4
101.02482	0.2
117.78625	0.1
125.02428	0.2
185.08043	0.2
412.59875	0.2
450.54929	0.2
486.23538	0.2
497.71335	0.2
607.24756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09802	0.2
56.52163	0.2
58.44970	0.2
59.01382	0.9
60.09576	0.2
60.60569	0.2
61.98829	100.0
69.33899	0.2
71.21696	0.4
89.76220	0.2
118.01053	0.2
125.30723	0.2
134.65881	0.2
137.02519	0.2
167.86925	0.2
220.62978	0.2
275.32407	0.2
290.18658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63321	0.1
55.66192	0.2
57.03439	0.5
59.01376	2.3
61.98829	100.0
62.98525	0.2
69.27145	1.0
71.01385	0.7
71.49944	0.1
72.01231	0.1
81.22647	0.1
85.02947	0.2
89.02429	0.2
89.46933	0.2
99.04535	0.5
101.02445	0.5
113.02482	0.3
119.03488	0.1
125.02409	0.3
136.07678	0.2
156.86519	0.1
159.69228	0.2
209.11821	0.2
242.62878	0.2
358.26834	0.3
423.52203	0.2
487.32849	0.3
524.17322	0.2
546.29352	0.2
562.33441	0.6
606.31226	0.7
607.33716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01376	3.2
61.98827	100.0
62.87159	0.2
66.42961	0.2
70.72049	0.4
70.72406	0.2
71.01389	0.7
72.99317	0.2
73.02946	0.3
75.00866	0.3
83.01423	0.2
85.02960	0.5
87.00866	0.2
88.79968	0.1
89.02455	0.4
95.01434	0.1
96.04741	0.1
99.04530	0.3
101.02441	0.8
113.02462	0.3
116.92848	0.2
125.02417	0.4
161.04494	0.2
163.06137	0.2
171.10382	0.3
211.13379	0.3
292.20129	0.3
357.26590	0.4
358.26865	0.7
359.27975	0.3
445.41830	0.2
485.31146	0.2
486.31760	0.5
528.83344	0.2
543.28448	0.6
544.28882	0.2
546.29675	0.5
562.33264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15711	0.3
59.62003	0.3
61.98830	100.0
71.21218	0.6
71.21534	0.3
79.92970	0.3
89.65334	0.3
97.63697	0.3
131.51903	0.3
143.83806	0.3
150.79956	0.3
212.28880	0.3
441.34692	0.3
478.49329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
71.35435	2.3
78.95904	100.0
96.96950	3.8
99.92593	13.8
100.93370	2.5
112.98614	1.4
115.92083	44.0
116.92233	1.2
116.92863	28.2
117.92825	1.5
120.97041	1.6
146.43871	1.1
150.98012	4.4
152.99596	28.9
155.95255	1.6
163.89648	2.4
164.90523	3.0
171.00632	2.5
172.95438	4.2
178.88416	15.5
179.89241	24.2
180.90027	23.9
181.90735	3.0
194.87904	3.4
196.42177	1.1
196.89488	48.5
196.91286	2.7
197.89557	1.9
204.89990	1.5
205.90739	3.9
206.91541	3.9
208.89354	1.9
218.24504	1.1
218.91422	1.8
219.92284	2.4
234.90961	1.5
235.91832	6.7
236.92590	16.5
252.92151	2.4
253.92874	3.8
279.23300	7.6
295.97684	1.3
309.95401	1.4
433.23495	2.1
435.18323	4.8
459.12326	2.0
462.21338	1.1
498.14563	3.5
499.15527	9.0
507.27249	3.2
515.15234	1.4
516.15906	6.9
559.17743	6.0
571.17737	11.2
572.17920	1.6
589.18951	5.6
603.16388	2.0
607.19806	86.4
608.20020	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	608.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81601	0.4
56.01411	0.7
57.03448	1.0
59.01379	9.2
60.43431	0.4
61.98833	1.0
71.01386	2.1
73.02944	4.4
74.02469	1.1
83.01385	5.5
85.02985	0.8
87.04530	1.1
88.98773	0.6
97.02946	0.5
98.20663	1.1
100.00407	91.1
101.00751	0.5
101.02447	2.6
103.00377	0.6
109.06564	0.7
113.02431	0.7
117.03469	1.1
119.05026	72.4
120.05367	1.7
133.06595	1.2
134.06148	1.1
139.07655	0.8
139.11293	7.7
145.02946	8.6
148.07686	0.6
151.11168	0.6
158.06136	0.7
163.11301	0.6
165.09163	1.3
167.10742	0.6
169.12357	2.0
176.07172	7.6
179.10735	1.8
181.12309	3.4
182.12434	0.4
183.10266	9.4
195.14015	0.6
197.11800	1.9
199.13254	0.8
220.06128	11.3
220.08141	0.8
221.06430	0.6
225.11319	10.3
226.11650	0.7
243.12344	8.9
249.11143	0.8
267.12369	1.0
285.13354	1.3
291.12354	1.1
309.13214	0.5
327.14413	2.9
387.16614	6.9
546.23071	0.8
548.21301	2.9
549.28729	1.0
590.22375	3.3
608.23492	100.0
609.23828	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	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
61.98829	100.0
69.19503	0.7
71.01379	0.2
73.02969	0.1
77.63829	0.1
80.96530	0.2
85.02988	0.1
89.02450	0.1
95.10272	0.1
101.02451	0.2
116.92903	0.2
327.17056	0.1
421.33438	0.1
583.45972	0.1
609.26074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
61.98830	100.0
62.73147	0.2
66.62624	0.2
71.00714	0.3
71.01412	0.2
80.96523	0.4
94.98158	0.2
101.02560	0.2
107.38676	0.2
116.92889	0.2
343.78592	0.2
609.26532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50784	0.1
57.03444	0.1
57.65946	0.1
59.01380	0.6
61.98830	100.0
69.17782	0.2
69.18202	0.4
69.43555	0.1
71.01380	0.3
71.42770	0.1
73.02943	0.2
80.96527	0.5
85.02940	0.2
89.02440	0.1
92.32386	0.1
94.98103	0.1
96.96062	0.1
99.04548	0.1
101.02466	0.2
106.04893	0.1
113.02415	0.1
116.92883	0.2
121.92513	0.1
163.06293	0.1
211.13368	0.1
225.00713	0.1
275.89670	0.1
548.31079	0.1
590.67017	0.1
609.25720	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05732	0.3
65.00327	0.8
67.47008	0.4
69.67834	0.4
70.58979	0.4
71.40667	0.4
79.88589	0.4
87.95525	0.3
93.03468	1.1
98.20676	1.1
107.01381	0.6
117.03468	1.1
133.02911	0.5
151.00385	2.5
154.04231	0.5
155.05045	0.5
159.04477	1.1
163.00363	0.5
167.04922	0.6
169.06537	0.5
171.04474	0.6
173.02461	0.5
183.04527	3.7
185.06047	0.8
187.03955	0.8
195.04579	0.4
201.05711	0.4
211.04005	2.8
213.05525	0.9
215.03613	0.5
227.03496	6.6
228.03787	0.6
229.05095	1.1
239.03378	1.1
241.05055	0.3
243.02966	0.4
255.02969	52.1
256.03452	3.5
257.04547	1.1
269.04529	1.0
281.04504	0.9
283.02466	100.0
284.03116	15.9
285.04028	78.6
286.04373	4.4
297.03961	1.4
303.35794	0.4
307.05783	0.4
326.04324	0.5
327.04987	3.3
369.05740	0.5
380.74454	0.4
446.02295	0.7
446.08511	15.9
447.09290	59.5
448.09576	5.2
459.09402	0.5
461.10779	0.6
463.09399	0.4
489.10278	6.0
531.11627	0.6
609.14575	56.0
610.14862	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	609.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41651	0.3
58.02958	0.5
59.01378	3.3
60.99300	0.5
61.98832	2.6
69.43105	2.4
71.01382	3.1
72.99320	0.5
73.02920	0.4
74.02471	0.4
84.03352	0.4
85.02957	0.6
87.00879	0.8
88.98807	8.6
89.02441	3.1
95.01372	0.4
96.96001	0.6
99.05645	0.7
101.02437	1.3
103.00372	0.8
110.00102	0.4
111.00889	1.1
113.02448	1.1
115.00373	0.6
119.03475	0.4
119.04972	0.3
123.04520	0.8
128.03532	1.2
133.01472	0.7
133.02924	0.8
134.04730	0.3
139.00348	2.5
143.04579	1.8
147.04507	0.5
149.06093	0.5
151.00409	0.3
161.04558	0.5
163.04002	0.6
164.07156	1.3
164.98247	0.8
165.99103	2.6
166.99863	0.8
171.04626	0.4
178.99889	0.4
179.05592	1.1
193.98598	0.7
199.03922	0.8
200.04851	0.4
206.08212	1.5
207.08527	0.8
207.13893	0.4
211.04018	0.7
215.03426	1.6
226.02692	0.9
227.03502	4.9
228.03781	0.4
229.04987	0.6
243.02977	8.3
254.02220	1.0
255.02972	40.6
256.03381	2.2
271.02469	41.9
272.03174	9.1
272.09015	0.6
273.04004	0.6
279.05392	0.3
283.02493	3.3
284.03214	0.8
285.04034	1.6
299.01965	15.4
300.02731	38.6
301.03455	10.1
302.03619	0.6
306.07599	2.9
307.07898	1.2
446.08545	3.1
447.09311	6.2
448.09558	0.6
463.08804	100.0
464.09171	7.1
470.55054	0.3
547.24274	0.5
549.25983	1.0
609.14594	15.9
609.23572	0.6
610.14673	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Germanaism D
Peak:m/z	Relative Intensity
59.01366	1.0
59.57553	0.5
61.98835	1.3
65.00330	1.0
69.25567	0.8
69.25971	4.3
73.02963	0.8
88.98789	0.8
93.03463	2.2
100.50821	0.6
100.90890	0.6
101.02451	0.7
103.28338	0.5
106.73450	0.5
107.01402	2.9
109.02988	0.8
116.13151	0.6
117.03478	6.3
119.05028	18.9
121.02950	4.7
123.04518	1.1
131.05038	0.8
132.02155	0.8
133.02946	0.6
135.00847	1.6
143.05032	0.9
145.02954	12.7
145.04955	1.1
151.00345	3.7
157.06586	0.7
159.04520	1.5
162.03189	1.2
163.00363	2.4
163.04010	10.3
169.06583	0.7
171.04453	1.0
183.04535	1.0
185.06099	2.9
187.03998	3.6
189.05600	1.2
195.04492	0.8
197.06093	1.5
199.03917	0.9
201.05438	0.7
206.53827	0.6
211.03987	3.0
213.05579	2.1
215.03456	0.5
227.03491	30.1
228.03860	1.7
229.05035	13.3
239.03520	2.3
240.04340	0.9
241.05159	1.8
243.02901	1.2
254.14958	0.5
255.02982	53.5
256.03653	4.6
257.04587	8.0
257.07166	1.0
267.02826	1.1
271.02438	3.0
283.02557	4.1
283.99997	1.3
284.03256	49.3
285.04031	100.0
286.04364	4.9
300.02786	4.7
301.03375	1.6
302.17599	66.3
307.10379	0.8
327.05194	1.5
447.09293	1.8
458.23434	0.8
581.50250	0.7
609.14587	91.8
610.14832	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	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33016	0.6
50.79536	0.5
59.01379	0.8
60.99300	1.1
65.00325	0.6
69.52451	3.4
71.01358	0.7
88.98805	7.9
89.02442	0.9
93.03459	0.8
98.19859	0.5
101.02422	0.7
109.02934	1.6
117.03445	0.6
119.32144	0.6
119.74722	0.6
121.02897	0.6
133.02939	6.9
135.04509	1.4
137.02406	0.6
149.02461	1.3
151.00357	2.0
155.05026	0.7
161.02429	0.6
163.00418	0.8
171.04544	0.8
175.04010	1.7
177.01892	2.0
177.05470	0.6
183.04518	2.0
185.06128	0.6
187.04005	1.1
191.03412	0.6
195.85925	0.5
201.01932	0.6
203.03505	0.9
205.01518	0.6
205.05197	0.6
211.04021	1.5
213.05533	1.1
227.03438	5.0
228.37198	0.5
229.05029	0.7
233.04468	0.9
239.03204	0.7
241.04962	0.7
245.04543	1.2
255.02968	31.3
256.03323	1.2
257.04315	0.7
269.04437	0.7
271.02594	0.6
283.02466	68.7
284.03131	9.4
285.04028	50.5
285.06564	0.7
286.04367	2.5
297.04034	3.2
298.04843	6.8
299.05569	2.4
309.03909	1.0
310.04959	0.5
311.05606	5.0
312.06339	5.9
313.07147	6.7
323.05527	1.5
325.07294	1.1
327.05106	5.2
339.05020	8.3
341.06546	4.9
351.04932	1.3
353.06503	2.4
357.06171	1.5
367.04794	0.9
369.06100	27.8
370.06494	2.1
371.08069	0.7
381.05972	3.3
383.07526	0.8
399.07172	20.8
400.07492	1.0
411.06958	2.6
429.08383	4.1
441.08289	1.1
446.08524	10.5
447.09253	39.2
448.09543	2.4
453.08023	0.8
459.09595	0.7
471.09207	1.3
489.10339	22.6
490.10632	1.9
519.11499	5.6
591.13239	1.4
609.14575	100.0
610.14923	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	609.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.6
57.03447	2.5
57.85275	0.5
59.01377	14.7
59.90125	0.4
61.98841	2.5
67.65098	0.5
68.99795	0.5
69.03444	1.5
69.52883	3.2
71.01379	23.7
72.99303	2.3
73.02949	3.1
73.03299	0.5
75.00871	34.6
83.01392	1.9
85.02943	7.7
85.03444	0.3
87.00881	5.1
87.04493	2.2
88.98807	0.9
89.02429	6.4
95.01379	0.9
97.02924	1.8
98.20560	0.7
99.00880	8.6
100.46124	0.5
101.02435	9.8
103.00381	0.9
111.00873	0.9
113.02447	5.1
119.03512	1.3
119.05001	1.3
129.01933	10.2
131.03510	1.2
131.35176	0.4
141.01904	1.1
147.40659	0.4
149.04568	0.5
159.02977	1.5
161.04567	1.1
177.04021	9.2
179.91161	0.5
192.24329	0.5
195.05084	4.8
202.42947	0.4
211.13297	0.6
263.02505	0.4
277.11484	0.5
300.74185	0.5
413.21918	0.7
417.24915	1.6
431.22815	8.1
455.22440	0.6
549.29077	9.0
550.28986	1.0
573.25531	3.8
590.18152	0.5
609.27594	100.0
610.27979	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62758	1.0
55.01879	1.1
57.03436	3.7
59.01379	60.9
60.99313	1.4
61.98547	1.5
61.98834	22.8
69.03454	1.1
70.24615	4.1
71.01380	19.6
71.05029	0.9
72.99307	1.9
73.02952	5.8
82.93398	0.9
83.01380	4.1
83.27267	1.2
85.02953	10.1
87.00867	2.4
87.04473	1.0
88.98803	10.1
89.02442	5.2
95.01389	3.0
96.96024	1.1
97.02945	2.0
99.00872	3.4
101.02446	11.4
103.00331	1.6
113.02448	8.5
115.03978	1.4
116.92862	5.3
119.04971	1.1
125.02405	2.4
126.58445	0.9
129.01961	1.1
135.04468	1.2
143.03442	1.2
161.04568	3.5
164.30762	0.9
167.10753	1.0
183.10240	1.3
185.11774	2.4
201.14975	1.0
211.13356	3.7
285.04233	1.8
294.88107	1.1
315.25348	1.8
343.28220	1.2
359.27826	1.1
361.29474	7.1
397.13123	1.3
405.26440	2.2
503.31683	1.3
505.33777	100.0
506.34152	9.2
523.34802	16.7
549.32782	3.7
554.76697	1.0
565.36365	5.7
609.29181	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	609.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
61.98830	2.2
64.39252	0.5
69.52548	4.1
72.57307	0.5
79.22234	0.6
89.34366	0.5
94.26791	0.6
125.13292	0.6
129.29292	0.6
165.27074	0.7
175.98572	0.6
279.23285	100.0
280.23605	6.6
282.03021	0.6
284.78625	0.6
548.24506	0.6
567.81354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00078	1.0
57.03431	2.5
59.01390	0.9
62.19593	0.9
63.49755	1.0
69.03448	3.2
69.44826	0.8
69.45129	7.3
71.01371	2.7
73.02942	2.7
77.30483	1.0
81.03454	17.2
83.01386	16.1
85.02936	2.5
88.86509	0.9
93.03451	4.0
95.01398	4.8
95.05028	9.7
97.02949	9.8
99.04510	7.9
101.02422	1.3
107.05019	2.4
109.02956	4.3
109.06606	1.1
111.00906	1.0
111.04528	4.3
113.02450	3.6
117.03434	4.4
118.03869	1.0
119.05009	1.4
121.02966	6.4
121.06596	1.0
123.00858	1.5
123.04529	32.8
125.02449	40.9
125.06033	1.1
135.04506	5.7
137.02438	12.1
137.06067	3.6
138.03250	3.1
139.04025	5.8
147.04494	2.8
149.02432	1.7
149.06049	1.8
151.04012	7.5
153.05586	3.1
155.03496	2.6
160.08926	1.0
161.02406	1.3
163.03992	2.3
165.01904	2.2
165.05507	4.1
166.02625	1.3
166.92928	0.8
167.03487	52.9
168.03828	1.7
177.05571	2.6
179.03496	14.6
181.05032	2.1
191.03494	3.2
193.05003	2.5
197.04538	15.3
205.04855	1.1
206.02167	1.2
209.04536	100.0
210.04863	4.1
221.04533	4.3
223.06277	1.0
233.04532	1.1
235.02354	1.7
239.05589	71.5
240.05890	3.5
251.05603	5.7
269.06647	30.6
270.06815	1.0
275.77612	0.9
277.03442	1.6
281.06659	4.2
311.07745	6.9
319.06128	1.1
329.08810	21.8
330.09311	1.4
341.08762	6.7
359.10034	6.7
371.07663	50.3
372.07928	3.8
383.07507	1.6
401.08710	40.7
401.14020	2.0
402.08954	3.4
413.08615	2.1
431.09753	10.1
432.10327	1.5
443.87610	1.0
449.13019	11.0
473.10831	7.5
491.11929	26.1
492.12311	3.2
503.12137	4.4
504.12390	1.1
521.13043	3.9
593.15002	1.5
611.07288	1.7
611.16144	16.4
612.16565	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	611.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97277	1.0
55.01873	1.4
57.03437	2.8
57.87426	1.1
59.01381	5.2
60.99298	2.0
61.98820	7.5
69.03461	1.9
69.59895	6.7
71.01381	6.1
72.99323	1.5
73.02940	2.0
75.00856	1.2
78.47720	1.0
81.03452	19.2
83.01382	18.2
85.02933	2.4
87.00898	1.4
88.98805	10.4
93.03467	6.7
95.01389	5.8
95.05029	9.6
97.02949	12.5
99.00846	2.1
99.04507	10.5
101.02419	1.1
107.05021	2.6
108.02174	1.5
109.02965	5.5
109.06638	0.9
111.04539	4.9
113.02506	5.5
116.92878	1.9
117.03460	9.7
119.05042	2.0
121.02956	6.4
121.06613	2.7
123.04520	32.8
125.02444	56.2
125.06107	2.2
129.38606	1.2
132.02126	1.2
134.03708	1.9
135.04541	5.3
137.02448	16.9
137.06084	4.9
139.04012	8.6
147.04523	4.1
149.02409	5.3
149.06099	1.7
151.04013	7.1
153.05566	5.6
155.03450	2.0
161.02440	1.3
163.00415	2.1
163.04022	4.7
164.01135	1.2
165.01898	2.3
165.05513	5.7
166.02580	1.8
167.03485	91.5
168.03857	2.0
177.01900	3.0
177.05556	1.7
179.03499	18.8
181.05043	3.4
191.03508	8.9
193.05078	3.3
197.04529	25.3
205.01306	1.2
206.02132	2.4
207.02899	2.2
207.06529	1.7
209.04538	100.0
210.04840	3.4
210.06825	1.1
217.05115	1.1
221.04549	7.4
223.06010	1.4
233.04588	1.4
235.02475	3.8
239.05598	95.4
240.05885	3.7
251.05496	5.1
263.05539	2.0
265.03464	1.1
269.06647	48.7
281.06601	9.1
293.06680	1.8
299.07733	16.2
311.07779	9.8
329.09131	16.4
341.08801	3.7
359.09622	3.5
372.92062	1.1
397.07635	4.6
398.07501	1.1
401.08636	34.7
402.09210	1.9
412.70599	1.2
413.08691	1.4
419.11859	13.2
431.09790	41.5
432.09927	3.7
436.51700	1.2
443.09573	1.6
461.10825	12.0
462.11108	1.7
473.10883	5.6
491.11948	32.4
492.12344	2.6
503.11990	6.6
521.13000	15.2
533.13312	2.0
593.15009	3.5
611.16180	19.9
611.25262	1.8
612.15900	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	611.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79876	1.1
57.03447	2.2
59.01393	1.8
59.87149	0.9
61.98830	14.6
68.99803	1.3
69.03456	2.2
71.01382	2.4
71.05152	2.0
73.02967	1.1
81.03467	11.6
83.01382	14.3
85.02956	3.5
93.03461	3.4
95.01392	3.7
95.05031	7.3
97.02946	8.3
99.04520	5.6
103.00362	1.3
107.04990	1.7
108.90182	1.6
109.02953	4.8
110.89930	2.0
111.00880	1.6
111.04539	4.1
113.02450	3.6
117.03459	4.2
119.05037	2.3
121.02951	5.3
121.06632	1.6
123.00900	2.0
123.04527	27.7
125.02454	35.5
125.06071	1.7
135.04536	4.1
135.92157	1.8
137.02455	10.2
137.06075	3.7
138.03183	1.1
139.03999	4.5
144.11673	1.1
147.04541	2.3
149.02396	1.6
151.03940	5.8
153.05569	3.6
155.03467	1.8
161.02429	1.2
162.93962	1.8
163.04013	3.0
165.01955	2.4
165.05547	4.8
166.02742	1.7
167.03493	51.2
172.14297	1.0
175.02428	1.7
177.02049	1.1
177.05606	1.2
179.03505	14.3
181.05013	2.0
191.03511	3.8
193.05008	1.8
195.04950	1.3
197.04536	14.1
207.02980	1.1
209.04552	100.0
210.04892	3.1
221.04556	4.6
223.06107	1.3
235.02415	1.6
239.05597	72.2
240.05988	2.7
251.05646	5.2
255.02974	3.9
256.03336	2.0
257.03531	2.7
261.08920	1.2
269.06662	33.5
277.03604	1.7
281.06662	2.9
283.02390	6.2
284.02908	5.9
285.03470	9.0
286.04401	3.4
287.04596	4.5
311.07733	7.6
323.07663	1.5
329.08795	16.5
341.08868	6.1
359.09924	6.3
368.07620	1.0
371.07712	43.9
372.08112	2.4
383.07678	1.2
401.08740	38.3
402.09015	2.9
413.09543	1.8
431.09882	8.5
447.09427	1.8
448.09363	3.0
449.08521	1.6
449.12961	6.5
473.10941	6.3
491.11893	25.2
503.11896	3.6
521.12933	4.5
593.15027	2.0
609.88397	1.2
611.15710	24.7
612.16516	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	611.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
60.07589	0.6
61.98817	2.1
62.36101	0.7
70.69857	2.0
78.95905	1.1
100.25217	0.6
110.68623	0.6
123.04527	1.6
133.02914	0.7
134.03728	4.4
135.04543	0.9
147.04468	1.0
149.06110	5.5
152.99545	2.0
159.04445	1.0
163.03979	1.7
175.03897	0.8
177.26399	0.6
211.07678	0.9
221.06064	0.9
222.06816	0.6
223.07491	0.8
224.04802	0.7
227.10742	2.1
237.05475	1.7
238.06343	2.2
239.07080	2.1
241.05055	1.6
241.08618	1.1
251.03523	0.8
251.07129	1.2
252.07936	1.4
255.06708	1.7
256.07407	4.3
264.04346	1.2
265.05026	12.6
266.05655	0.8
267.06488	1.0
267.10181	2.9
269.08032	1.0
279.06607	8.2
280.07382	62.9
281.07748	3.9
283.09647	2.3
293.08310	1.3
294.08990	3.1
295.09723	44.5
296.10074	2.0
297.07623	1.1
311.09213	7.2
312.10013	21.0
313.10794	100.0
314.11169	6.1
538.89557	0.7
539.87598	0.8
593.21759	2.1
611.22302	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	611.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54497	0.2
55.01881	0.3
57.03440	2.1
59.01379	22.0
60.70301	0.3
61.92468	0.2
61.98830	3.7
64.17670	0.2
69.03467	0.2
69.56769	0.5
69.57184	1.0
71.01380	3.4
73.02943	2.5
74.02498	0.4
75.90898	0.2
81.03481	0.4
83.01399	0.4
83.05051	0.3
85.02950	8.8
87.00880	2.0
94.98167	0.2
95.01395	0.3
95.05009	0.4
95.08672	0.6
96.96018	0.2
97.02930	0.4
99.00881	0.4
99.04531	0.5
101.02441	2.4
113.02471	1.7
116.92847	0.7
121.02736	0.2
121.06594	10.5
122.06901	0.3
125.02489	0.4
127.21210	0.2
128.03545	0.6
137.09720	29.9
138.10080	0.9
139.11288	21.0
140.11646	0.8
143.04613	1.0
144.34431	0.2
149.06006	0.3
161.04559	1.0
161.09659	0.3
163.11273	0.8
165.09221	0.8
175.11246	0.7
177.12802	0.3
181.12349	5.7
183.10249	27.8
184.10629	0.9
187.11270	0.4
199.13423	0.3
203.10844	0.4
204.11555	1.0
205.12321	8.6
206.12593	0.5
210.08833	0.4
217.09831	0.3
225.11302	5.0
243.12379	2.7
251.12881	0.4
267.12573	0.2
272.08865	0.5
288.06454	0.3
306.07623	2.9
406.07050	0.3
407.07471	0.3
455.19363	0.6
461.20389	0.5
473.20218	2.2
525.43219	0.3
575.28650	0.6
593.29620	4.8
594.29767	0.6
611.30676	100.0
612.31030	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	611.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.6
59.01377	51.4
61.98831	21.1
70.89280	1.1
71.01384	4.1
73.02947	3.3
75.49162	0.6
81.03431	0.7
83.05058	0.7
85.02954	2.0
87.00877	0.9
87.04503	1.3
88.98808	1.8
89.02428	1.0
96.96001	0.9
99.04527	0.8
101.02454	3.9
108.08173	0.7
109.06557	0.6
113.02399	1.4
116.92818	0.8
119.03523	0.8
125.02486	0.7
131.03488	0.6
137.09703	1.9
139.11284	34.3
140.11615	1.3
151.11275	0.8
152.07198	1.2
154.77304	0.6
161.04520	0.9
163.11285	1.2
165.09195	1.7
169.12334	2.0
179.10770	1.5
181.12329	17.1
181.29584	0.6
183.10251	46.4
184.10571	1.3
197.11781	1.4
199.13408	4.6
207.10156	1.0
225.11299	24.6
226.11803	1.1
243.12355	90.6
244.12769	4.4
257.14023	2.4
267.12241	1.4
285.04230	0.7
285.13428	32.4
286.13797	1.8
315.14447	6.5
345.15509	33.3
346.15717	1.4
385.97379	0.6
387.15927	2.0
405.17633	36.8
406.17868	2.3
502.71106	0.6
517.18433	2.6
549.20709	1.3
610.22974	0.6
611.30640	100.0
612.31128	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	611.307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36107	0.4
57.03444	2.1
58.00578	0.5
59.01379	30.3
60.99269	0.3
61.98536	0.6
61.98831	7.7
63.52621	0.3
63.97039	0.3
71.01375	3.4
71.29436	0.7
71.29758	0.4
73.02922	1.6
83.01385	0.8
85.02940	1.4
87.04496	0.6
88.98797	0.6
89.02431	1.2
95.05015	0.8
96.96016	0.4
97.02995	0.4
99.04507	0.5
101.02422	1.7
109.02999	0.3
109.06556	0.5
113.02462	1.1
128.03497	0.7
136.05273	0.8
137.09692	0.8
138.06827	0.8
139.07657	0.6
139.11284	19.2
140.11595	0.8
147.08183	0.4
150.53836	0.4
151.07663	1.1
151.11230	0.5
152.08389	1.5
153.09232	4.4
161.09708	0.8
163.11279	4.9
165.09203	0.8
169.12325	1.1
175.11345	0.6
179.10802	1.0
179.74202	0.4
181.12355	5.4
183.10262	20.7
184.10497	0.5
195.13733	0.5
197.11787	0.7
205.12354	5.4
207.10321	0.4
223.13315	0.6
225.11305	5.9
243.12317	3.1
256.37717	0.4
256.40460	0.4
350.09918	0.4
447.18576	0.4
551.28516	0.5
593.29846	2.8
611.30676	100.0
612.31030	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23093	0.2
57.36327	0.3
58.05688	0.3
61.98819	1.6
69.54851	1.8
95.05017	0.3
106.04228	0.3
106.13943	0.3
107.05051	0.5
107.73940	0.2
108.02164	0.4
109.02946	3.0
114.70104	0.3
116.92876	0.3
119.05087	0.3
122.03734	2.1
123.04524	9.1
130.04279	0.9
131.05029	2.8
134.03743	4.7
135.04517	2.4
136.74863	0.2
137.02495	0.3
137.06081	4.9
147.04544	0.8
148.47232	0.3
149.02434	1.7
149.06075	7.9
150.03224	45.9
151.03577	1.1
163.04056	0.7
164.04808	2.4
165.05568	100.0
166.05920	2.8
171.10278	0.4
193.36917	0.3
225.09753	0.3
297.11319	8.2
298.11636	0.4
299.12900	0.5
307.96320	0.3
314.11600	0.8
315.12378	15.5
316.12820	0.9
318.22122	0.3
406.66132	0.3
407.14859	0.7
560.82172	0.3
595.23236	1.5
613.24438	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	613.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56052	0.2
58.83899	0.2
59.01375	0.5
61.98835	1.6
65.73173	0.2
69.29108	1.8
72.08606	0.3
98.19936	0.6
103.05508	0.4
108.02184	0.4
109.02943	2.9
109.06551	0.3
116.92870	0.9
122.03728	1.7
123.04524	8.9
130.04228	0.9
131.05028	3.6
134.03735	4.7
135.04541	2.4
136.01636	0.3
137.02470	0.5
137.06081	4.7
147.04536	1.0
149.02454	2.4
149.06081	9.0
150.03220	44.0
151.03548	1.2
151.37537	0.3
151.73683	0.3
154.02692	0.5
163.03961	0.4
164.04758	2.5
165.05563	100.0
166.05910	3.0
171.10223	0.5
216.17993	0.3
255.10193	0.3
297.11316	9.5
298.11761	0.7
299.12805	0.6
314.11517	1.0
315.12363	14.6
316.12772	1.0
407.14914	1.1
463.17691	0.5
595.23376	1.6
613.24121	5.0
614.24542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60176	1.1
59.01387	6.3
61.98832	11.4
65.03961	1.2
71.01376	2.9
71.21869	2.1
73.02927	1.2
85.02944	1.1
89.02438	1.9
91.05496	1.2
93.03458	4.8
95.52628	1.1
99.92565	2.0
101.02454	2.6
106.04291	6.8
107.05017	1.5
108.02151	2.8
109.02959	17.8
116.92838	4.1
121.02947	13.7
121.06582	1.8
123.04522	2.4
128.54555	1.0
130.04222	4.9
131.05034	16.8
133.02939	1.8
133.06606	2.2
134.03738	77.6
134.89526	1.1
135.04558	8.5
144.80690	1.0
147.04504	6.6
149.06073	100.0
150.03172	1.8
150.06371	3.0
150.74979	1.2
161.06076	4.3
163.03966	3.9
163.07701	2.7
165.05621	5.6
171.10222	2.6
173.06079	4.6
175.04045	1.8
176.04787	4.9
177.05554	1.7
185.06187	1.2
189.05472	1.0
190.06400	1.5
191.07120	8.3
203.07117	7.6
213.05577	1.2
223.13318	3.1
240.15900	0.9
241.08786	2.4
253.08710	2.1
256.07349	1.0
257.08075	1.8
267.10239	2.0
269.08249	1.6
277.08572	1.4
280.07431	3.0
283.09756	1.2
294.08850	1.8
295.09735	33.0
296.10098	2.4
297.07651	3.3
298.08386	1.7
312.10025	7.8
313.10788	17.5
351.12357	4.4
407.15002	18.1
427.15659	2.3
445.16553	42.9
446.16827	4.3
453.16934	1.8
463.17606	55.1
464.17874	3.5
471.18002	1.5
518.89795	1.3
547.21295	2.7
565.22699	1.7
583.23462	3.4
595.23328	26.7
596.23615	2.5
613.24017	25.9
613.32642	4.2
614.25488	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	613.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	1.2
62.29924	0.3
65.15639	0.3
71.01379	0.4
71.45071	0.3
72.99287	0.4
80.05053	0.9
94.06635	1.3
96.96032	2.0
104.05054	3.8
107.03768	2.4
108.04551	5.3
109.55071	0.3
118.39845	0.3
121.06593	1.3
122.06122	17.2
123.06461	0.6
124.07670	1.3
132.04556	45.1
133.04909	1.1
134.06113	2.4
137.09721	25.3
138.10085	0.9
144.04561	0.4
148.04047	4.1
149.09770	0.5
150.05617	2.0
152.07173	60.9
153.07501	2.1
160.04001	0.8
162.05550	0.4
176.03522	7.1
177.03955	0.4
188.03529	1.4
208.06163	3.2
219.10229	0.4
230.31856	0.3
239.12889	45.4
240.13202	2.7
269.04526	0.5
269.12936	4.4
273.12415	4.6
297.12448	29.0
298.12787	1.6
313.11954	5.1
314.12421	0.5
341.11411	59.0
342.11731	4.8
373.14029	100.0
374.14301	7.8
577.15863	0.5
611.33221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19538	0.4
57.03451	2.4
59.01379	28.0
61.98829	1.5
69.66577	2.6
71.01383	5.1
72.80480	0.6
73.02949	3.9
73.68267	0.4
83.01386	0.8
85.02952	1.9
89.02452	1.6
90.02805	0.4
98.20626	0.9
99.04527	0.5
101.02443	3.7
113.02476	2.2
137.09724	1.6
139.11295	26.2
140.11656	0.8
161.04539	0.7
163.11278	1.2
165.09186	0.6
181.12360	5.8
183.10266	26.9
184.10565	0.9
195.13885	0.5
225.11304	4.5
225.14824	3.2
243.12318	2.3
306.07639	0.6
387.20178	0.8
434.81219	0.5
589.05389	0.5
595.31531	2.4
613.32251	100.0
614.32568	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	613.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
57.03437	2.2
58.00586	0.6
58.76163	0.4
59.01378	22.4
61.98824	4.0
71.01382	5.1
73.02952	3.5
75.48476	0.4
78.51113	0.4
83.01386	1.1
83.05038	0.5
85.02943	3.3
87.00876	4.7
88.98719	0.4
89.02435	1.1
94.02882	0.4
95.01364	0.6
95.05022	0.5
97.02922	0.4
99.00857	0.9
99.04546	0.6
101.02435	2.7
113.02456	2.3
116.92812	0.5
119.03471	0.4
121.02920	0.4
121.06591	0.4
125.02417	0.6
134.03773	0.6
136.07645	1.9
137.09709	2.0
139.11292	23.9
140.11621	0.9
149.04550	0.4
149.06067	1.0
149.09645	0.4
151.11276	0.5
161.04558	1.0
163.11278	0.9
165.09204	0.5
165.12869	0.5
167.14362	0.7
174.11703	0.4
181.12349	5.5
183.10265	25.6
184.10605	1.0
195.13885	0.6
199.13376	0.5
209.15460	0.6
225.11366	3.4
225.14905	5.6
243.12396	2.8
279.11530	0.4
306.07468	0.4
369.19232	0.7
371.65491	0.4
386.38074	0.5
442.16446	0.7
466.39328	0.5
581.23944	0.6
595.31470	2.0
613.32257	100.0
614.32648	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	613.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03448	100.0
58.03802	1.0
59.01379	88.1
60.01712	0.9
61.98846	1.0
65.15666	0.7
70.69691	1.6
71.01381	16.0
73.02945	4.6
81.03455	1.9
83.01387	4.4
83.62056	0.5
85.02945	9.4
86.00092	1.0
87.00851	1.0
89.02454	1.9
95.01399	1.3
97.02987	0.6
99.00877	2.2
99.04517	95.7
100.04863	2.0
101.02442	32.4
103.09033	0.5
111.00898	1.0
113.02449	6.3
119.03491	0.9
121.02988	0.6
125.02443	35.4
143.03528	2.7
159.02930	0.9
161.04553	4.0
165.32904	0.5
172.99905	0.5
173.43970	0.5
174.89552	0.5
281.07697	0.9
297.11078	0.5
299.12695	1.3
313.10550	1.2
314.10919	1.3
315.11481	1.1
411.73026	0.6
451.30661	4.4
469.31683	38.6
470.32080	3.9
511.32748	3.2
522.09949	0.7
538.02966	0.5
551.34998	0.5
558.53101	0.6
613.35846	9.1
614.35834	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.3
61.98822	1.6
65.03889	0.5
69.65425	1.7
69.65840	0.8
71.01379	3.5
72.99332	0.7
73.02944	0.6
73.67365	0.4
75.00867	0.7
76.12135	0.5
87.00887	1.4
89.02448	1.7
93.03436	0.7
101.02439	1.8
103.00373	100.0
104.00707	1.1
113.80167	0.5
115.00371	1.5
117.03442	1.0
119.03558	0.7
119.05039	5.5
121.02977	0.8
133.06584	1.0
144.04550	33.3
145.02954	4.4
145.04878	1.0
157.06601	3.7
161.06079	1.6
163.04019	5.7
174.05612	7.3
175.02493	1.3
177.05591	0.6
182.05946	0.5
182.82799	0.4
184.07669	11.8
185.08121	0.5
187.04048	0.6
196.07744	2.9
205.05054	2.4
210.05544	0.6
235.06151	2.1
240.06706	0.4
242.08272	0.7
246.07629	0.7
270.07831	0.7
334.41043	0.5
343.40753	0.4
390.11923	0.7
408.13034	0.8
420.12888	1.8
438.08044	1.0
438.14059	18.3
439.14313	2.0
470.20441	0.5
480.15060	1.5
524.14014	1.7
608.70691	0.5
614.17261	17.6
615.17572	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	614.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02370	2.6
57.03448	2.8
59.01380	25.1
61.98832	35.9
69.91774	4.3
69.92154	4.7
71.01381	7.5
73.02936	5.6
83.01392	4.9
89.02442	4.6
94.02991	4.6
96.96030	5.3
98.19856	3.2
99.04535	4.3
101.02433	6.3
107.90520	2.4
116.92837	4.3
119.05024	100.0
121.03049	2.6
132.03123	2.5
139.11304	10.9
163.04013	65.3
169.12361	4.4
177.22156	2.3
181.57414	2.6
183.10213	12.5
225.11308	10.8
230.15646	2.7
240.85635	3.1
243.12349	7.5
306.07758	6.9
324.96487	2.6
375.27420	4.1
387.16656	11.2
411.60709	2.9
460.86075	2.6
519.16028	7.5
551.21387	79.0
552.21448	9.7
569.85449	3.1
613.32635	6.1
613.90662	2.7
614.32837	29.2
615.33966	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	614.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	4.8
59.01389	1.9
61.14884	0.3
61.98827	4.7
62.11333	0.3
66.03454	0.8
69.16560	3.6
70.02972	0.6
71.01372	1.4
72.00916	0.9
74.02471	11.9
81.04588	0.7
82.02983	1.3
84.04544	0.6
85.02919	0.6
86.02482	3.6
86.06083	0.5
86.99084	1.2
87.05657	2.2
89.02434	0.8
90.00176	1.2
96.04571	0.3
97.04073	1.1
98.20618	0.6
99.00881	0.5
99.05642	10.8
99.92574	0.4
100.04085	0.4
101.02431	0.4
101.07217	1.7
102.05610	1.4
107.06160	0.8
109.04055	1.0
109.07739	0.5
111.05629	1.1
112.04034	1.3
113.03570	0.5
116.01763	1.2
116.92871	1.9
120.01183	0.4
123.05674	0.9
124.04099	0.4
125.03542	1.8
126.01948	0.5
127.05132	1.7
128.03542	27.6
129.03867	0.7
129.99710	0.3
131.04614	1.1
135.04630	0.5
135.05627	2.8
136.07684	0.4
137.07237	0.6
139.05128	0.5
141.06689	3.1
143.04623	36.9
144.01216	0.4
145.06221	1.9
146.04590	3.5
149.06125	0.4
149.07144	0.4
153.06718	2.5
155.08246	0.6
160.00734	10.0
166.09839	1.4
167.04630	3.0
167.08292	0.9
170.03328	0.6
171.04118	0.5
171.10313	0.7
177.03401	4.3
179.04622	8.4
181.06172	1.3
185.05643	1.1
192.07837	1.0
197.05659	1.3
198.08772	0.4
207.10318	0.7
210.08844	6.7
213.03383	0.6
225.11267	0.5
228.09906	0.5
242.07809	1.0
254.07843	10.6
261.28494	0.4
272.08878	16.6
273.09073	0.5
285.04004	0.9
288.06610	6.3
306.07645	100.0
307.07932	4.1
319.22513	0.4
351.14618	0.3
614.33484	0.5
615.33490	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	615.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30721	1.3
52.99368	1.3
55.21135	1.2
57.03446	5.7
59.01379	14.5
61.98851	1.7
68.55362	1.7
69.28499	11.7
71.01385	2.3
75.29669	1.4
83.05034	3.1
89.02421	1.4
97.06578	4.0
99.04517	2.7
101.02420	2.5
103.00382	1.6
113.02460	2.6
123.08383	1.5
134.03706	3.4
137.09743	1.9
149.06062	1.4
163.11287	6.0
175.02515	2.4
179.14407	4.5
193.05031	4.8
195.13902	16.3
223.13397	18.8
241.14441	100.0
242.14790	4.1
283.15509	57.7
284.15820	3.5
287.15167	2.2
316.14975	1.4
341.82452	1.4
493.17581	1.8
579.30255	6.4
615.18024	2.7
615.28400	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	615.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59857	0.6
52.66732	0.7
57.03441	2.2
59.01378	31.9
61.98829	10.0
64.62300	0.7
69.47151	4.2
71.01379	10.2
72.56963	0.6
72.99316	0.8
73.02938	4.0
74.15813	0.6
80.26490	0.7
83.01378	1.6
83.05025	0.9
84.21466	0.6
85.02943	3.7
87.00876	3.1
89.02440	4.4
95.01393	0.8
95.05029	2.5
96.96011	2.1
98.20632	1.4
99.00916	1.4
99.04511	1.4
99.92584	1.5
101.02444	7.1
108.08233	1.1
113.02411	3.3
115.92117	1.3
116.92857	4.6
117.92795	0.7
119.03484	0.9
122.06113	0.7
124.07627	0.8
125.02486	0.8
128.03564	0.7
131.03456	0.9
132.04558	2.3
134.06136	1.2
136.07692	3.0
139.04007	14.1
139.11290	20.2
140.11588	1.1
143.04570	1.2
149.04520	1.8
159.03015	0.8
161.04581	2.0
163.11272	1.6
165.04305	2.0
171.10274	5.3
180.08412	0.6
181.12294	6.6
183.10246	22.2
183.11864	1.2
183.50378	0.9
184.10455	0.8
199.13387	0.8
207.10274	1.9
212.10651	0.7
213.82700	0.7
223.16362	0.7
225.11345	8.4
225.14932	1.2
227.08252	0.9
227.16502	2.6
229.09784	1.1
239.11896	1.1
241.09863	0.9
243.12329	3.1
255.02957	1.0
255.11406	1.1
257.12955	4.1
262.18542	0.6
269.13019	1.3
272.08905	0.8
275.10300	1.3
283.02133	0.7
283.10776	2.1
289.02454	0.8
301.11981	1.7
306.07690	1.4
421.63794	0.7
483.29254	1.9
555.22339	1.3
583.21637	1.3
597.23737	6.2
597.32349	1.5
615.24677	6.8
615.33801	100.0
616.25128	1.2
616.34149	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	615.3386
Annotation	Cussovantoside C
Peak:m/z	Relative Intensity
55.01864	1.2
57.03445	2.2
58.00591	0.8
58.02966	0.4
59.01379	33.8
60.01701	0.4
61.98536	0.6
61.98828	5.9
69.03458	0.7
70.52405	0.4
71.01380	13.0
72.99292	0.9
73.02946	6.1
74.02465	0.9
83.01364	1.9
83.05005	0.4
85.02948	5.3
86.02482	0.4
87.00848	0.7
87.05689	0.4
89.02445	9.0
95.01417	0.4
95.05019	0.9
96.96011	8.3
97.02960	0.9
97.06608	0.4
99.00885	3.3
99.04529	1.3
99.05598	0.9
101.02437	9.8
107.77031	0.4
109.06624	0.5
111.00888	0.5
113.02459	4.9
119.03519	1.6
125.02462	0.7
127.11265	0.4
128.03516	2.3
131.03491	1.3
134.03746	0.7
136.07735	0.6
137.09671	0.6
139.04033	2.2
139.11293	18.7
143.03482	1.0
143.04617	3.6
149.04550	4.3
149.06081	1.3
159.03032	0.6
160.00749	0.8
161.04643	1.9
163.11299	0.9
165.09198	0.4
169.12421	0.4
171.10272	3.4
181.12341	5.1
183.10252	20.2
184.10631	0.8
191.05566	1.3
199.13239	0.7
207.10222	1.6
210.08890	0.4
225.11302	5.0
225.14978	1.7
227.16602	0.7
233.06596	0.5
243.12317	1.5
249.33264	0.4
251.07828	0.5
254.07819	0.7
255.08194	0.5
259.83798	0.4
272.08887	1.8
273.09235	0.6
285.03772	0.5
288.06540	0.5
293.08823	0.6
299.26486	0.4
306.04492	0.7
306.07632	5.1
307.07922	2.9
407.19116	0.5
435.19040	0.6
465.28598	1.1
471.25705	1.2
483.29602	3.7
484.30246	0.6
513.27106	0.7
597.24536	0.5
597.32825	2.4
615.33838	100.0
616.34167	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	616.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.6
57.85682	0.6
59.01374	1.9
68.01418	1.9
70.57993	0.7
71.01380	1.0
84.93882	1.0
87.00854	1.2
96.00912	12.0
96.96008	11.3
97.02986	1.0
98.95589	7.6
98.96280	0.8
99.00880	1.2
99.92583	49.4
100.92597	2.6
100.93371	4.0
109.92691	0.5
109.93389	3.2
113.02451	0.8
114.94942	1.6
115.92078	31.8
116.48808	0.6
116.92860	100.0
117.92904	4.2
124.00361	0.7
125.92890	1.7
134.88474	0.6
139.11279	1.0
140.92856	2.2
141.93671	1.0
153.65482	0.5
155.95174	0.9
158.93938	1.3
167.93935	1.4
169.93102	1.0
170.94008	0.8
173.11496	0.6
196.94217	12.8
252.01059	1.1
265.05267	1.0
279.03174	0.9
280.04056	0.7
281.04837	14.2
282.04977	0.9
309.04343	10.0
310.04831	2.1
325.03824	3.0
342.92422	0.6
345.91940	0.6
348.19440	0.5
351.05591	1.0
379.05151	0.7
381.05960	0.6
432.39191	0.7
483.10138	0.7
509.11252	2.7
513.10736	13.0
514.11017	2.0
536.12201	6.8
537.12720	0.9
562.09894	0.9
580.11249	2.9
616.13397	32.8
617.13568	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	616.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14834	0.3
55.01859	0.3
57.03443	0.6
58.00573	0.9
59.01379	12.0
61.98830	4.1
71.01382	3.4
71.51991	0.4
72.99297	0.3
73.02937	0.9
75.00855	1.0
83.01389	0.4
83.76115	0.3
85.02940	1.2
85.46706	0.3
85.64010	0.3
87.00910	0.5
87.04524	2.3
89.02438	0.8
96.04564	0.7
96.96021	0.5
97.02969	0.3
99.00890	0.3
99.04529	0.8
101.02425	1.4
103.00373	100.0
104.00697	1.1
113.02419	1.1
116.92069	0.4
116.92847	2.3
117.92892	0.9
120.99663	0.4
125.02413	0.6
133.74368	0.3
135.08160	0.8
137.09740	3.3
139.07629	0.4
143.72874	0.3
151.11194	0.4
152.07187	0.5
155.10782	11.1
161.02519	0.3
161.04588	0.3
163.04065	0.4
163.11354	0.3
169.12338	0.7
179.10794	0.8
181.08678	0.9
183.10237	0.7
186.05627	0.3
191.10831	0.3
195.10083	0.4
199.09750	5.4
203.47774	0.3
209.11832	0.3
213.11330	1.0
225.11534	0.3
241.10818	3.0
255.12540	0.4
256.16400	0.3
260.55121	0.3
261.09009	0.4
283.11914	1.1
332.94083	0.3
343.14111	0.4
422.18274	0.6
440.19275	11.3
441.19897	0.5
482.20157	0.5
598.21161	0.5
615.34686	0.4
616.22638	10.2
616.32977	0.9
617.22498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51211	0.8
59.01378	100.0
61.49308	0.8
61.98820	2.8
64.37737	0.8
71.49680	1.2
84.56977	0.9
84.98066	0.9
85.38010	0.9
87.86253	0.9
88.54253	0.9
90.97125	1.4
115.02525	6.9
117.00467	5.9
118.96638	1.4
132.98201	4.9
141.00426	1.3
157.03531	1.7
159.01489	65.7
160.01656	2.7
174.99234	42.5
192.95837	2.6
201.02573	12.6
217.00285	93.5
218.00632	1.7
227.45522	1.0
232.98289	1.6
259.01498	1.9
273.01379	0.9
274.99277	5.8
290.97195	4.1
297.27264	0.9
298.99014	1.0
300.99210	1.8
301.02640	31.1
302.02792	4.2
309.05881	0.9
310.03986	1.0
317.00391	68.7
318.00549	4.2
332.98154	21.8
333.98486	1.1
359.01471	5.2
368.74002	1.0
371.70786	0.9
374.94348	1.9
374.99191	38.8
375.99716	1.9
390.97266	1.6
407.43210	1.0
432.97946	1.7
459.01575	7.1
470.53522	1.0
474.99255	38.1
475.99384	3.0
514.97296	2.2
555.00702	1.2
556.98334	47.9
557.98444	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	617.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	45.9
62.58464	3.4
71.01389	5.8
71.05004	3.6
71.51376	3.5
96.79749	3.1
99.04533	6.7
103.00375	100.0
115.00381	6.5
115.03983	5.7
116.92917	3.8
119.05032	10.8
122.22754	3.6
134.03711	18.6
136.42880	3.3
160.01631	4.2
161.06947	4.7
161.08195	60.6
163.04053	9.5
175.02507	7.9
175.03995	8.3
176.04829	3.8
178.02718	3.6
193.03481	4.2
193.05070	18.9
203.09222	11.1
207.06569	3.6
217.05045	7.5
265.07205	17.5
369.08331	29.2
370.08447	4.8
417.65747	3.4
426.58151	3.7
617.17401	7.8
617.28284	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	617.2615
Annotation	azadirachtin I
Peak:m/z	Relative Intensity
57.03431	1.4
59.01387	5.6
61.98817	4.4
68.99567	5.5
69.30375	4.5
69.30780	1.8
71.01392	2.6
73.02946	1.1
74.56049	0.9
78.91872	1.3
84.04568	1.0
87.00872	1.1
89.02452	1.7
94.06577	1.1
95.03757	2.2
96.08231	1.3
96.96009	3.5
97.01633	0.9
101.02438	1.7
101.59908	0.9
104.05074	1.0
106.06637	3.0
108.04550	2.2
108.08192	18.1
112.98585	5.8
120.04534	1.3
122.06137	10.5
124.07706	8.0
132.04558	42.3
133.05347	18.7
134.03737	1.4
134.06136	13.5
139.03964	1.6
144.69872	1.3
148.04062	3.0
149.04802	3.9
150.04456	1.9
150.05612	24.9
151.05800	1.1
152.07178	2.7
161.04700	1.1
162.05588	4.2
165.04326	29.4
171.10278	2.1
176.07176	3.4
184.96004	1.9
186.09280	2.0
193.05022	1.6
198.09137	1.4
209.11855	1.2
212.10698	1.2
213.06720	2.3
214.12431	3.6
214.19373	1.0
215.11867	7.0
225.11417	0.9
226.07448	1.8
227.08362	2.2
229.09875	4.6
229.13493	2.3
239.11823	1.5
240.08801	1.3
240.10541	1.9
241.09830	6.9
241.13463	1.1
242.10545	1.0
253.13495	1.0
255.11311	4.4
257.12946	64.7
258.13318	3.1
267.11630	1.0
270.13733	1.1
271.14505	11.5
281.12817	0.9
283.10880	22.0
285.07767	2.2
300.10947	1.7
301.11896	25.0
303.08728	2.8
306.07626	1.0
327.09885	3.0
335.12442	2.6
369.22400	1.4
379.40717	1.0
392.19495	1.3
393.17154	1.1
555.26117	2.1
557.24078	22.7
558.24170	1.5
573.29407	1.3
599.25110	100.0
600.25330	13.2
617.26111	70.0
617.34735	5.3
618.26215	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	617.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36708	0.5
57.03439	1.8
59.01379	38.7
61.98828	9.5
68.99557	1.6
70.90798	0.5
71.01064	0.4
71.01388	6.5
71.68388	0.5
72.99281	1.0
73.02953	2.7
74.02453	1.2
75.00882	0.6
83.01361	0.9
85.02945	3.4
87.00850	0.9
89.02438	2.6
89.94199	0.5
95.05013	0.6
96.96004	15.0
99.00878	1.2
99.04514	1.5
99.92576	1.3
101.02439	5.4
103.00356	1.2
112.98579	2.0
113.02440	2.2
114.02785	0.6
114.93421	1.6
115.00352	0.6
115.92028	0.8
116.92860	4.7
119.03542	0.6
122.06107	0.6
125.02457	1.0
135.04584	1.1
137.09738	0.7
139.03979	1.8
139.11285	17.8
148.07591	0.7
149.06093	0.6
150.05635	0.6
151.00201	0.5
152.07184	0.8
155.77544	0.5
161.04570	1.7
163.11327	1.0
165.05577	1.2
165.09302	0.8
171.10265	8.5
177.11848	0.5
181.12309	6.1
183.08665	1.1
183.10260	19.2
184.10590	0.8
197.70102	0.6
199.13280	0.7
209.11792	5.7
225.11389	3.4
227.12776	1.8
227.16484	0.6
243.12289	2.5
246.57732	0.5
253.09441	0.8
265.97336	0.5
276.71625	0.5
283.10919	1.1
286.11627	0.5
295.10620	0.5
299.01996	0.6
301.03528	0.9
345.26617	0.6
369.23053	1.1
424.16797	0.9
473.27805	0.8
519.31604	1.0
541.20563	0.8
573.30005	0.7
585.19965	4.0
599.25415	0.8
599.34558	1.8
617.23309	6.5
617.35400	100.0
618.24707	0.5
618.35663	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	619.297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61883	1.0
52.58815	0.9
53.30984	1.0
55.47352	1.0
57.03447	20.5
59.01378	39.8
61.98832	14.9
65.69519	1.0
68.99564	1.2
69.03442	1.0
71.01375	16.0
71.05027	1.9
72.99306	2.1
73.02954	6.3
75.00855	4.2
78.95881	1.3
80.86001	1.0
82.95436	1.3
83.01366	3.6
83.05025	4.9
85.02940	6.4
85.06583	13.8
87.00842	2.1
88.98784	5.6
89.02452	7.0
96.96007	14.0
96.96958	1.9
97.02938	1.2
97.06544	2.4
98.19849	1.8
99.00853	1.7
99.04508	2.0
99.08145	2.0
101.02438	10.0
103.00362	5.0
104.00667	1.1
104.70254	1.1
107.03744	1.4
111.08147	3.2
112.98562	1.3
113.02425	6.3
113.09732	2.0
115.00340	1.1
115.92084	2.1
116.92867	12.4
119.03472	2.2
122.06133	10.5
122.89898	1.1
123.08141	1.7
125.02431	2.5
125.09698	2.5
129.01891	1.6
129.09221	12.7
134.03786	1.2
134.06129	2.4
135.04475	1.5
137.09714	1.8
139.11217	1.1
143.09758	1.1
143.10788	13.1
149.06107	1.5
152.07162	9.7
153.12820	1.4
155.10733	3.9
155.14403	1.7
161.04550	2.5
163.04079	1.4
164.94089	1.2
165.12799	3.4
167.10670	1.2
183.13899	7.0
185.11766	1.7
197.15506	9.2
251.20213	1.8
253.09735	3.2
254.10603	5.8
255.11237	1.2
265.21655	2.6
283.22675	5.9
327.25391	9.8
328.25546	1.3
353.23398	9.0
371.24362	100.0
372.24634	8.1
389.17374	2.5
395.24283	8.1
413.25351	1.4
415.10510	1.3
419.18546	6.4
463.17429	3.4
486.63312	1.0
515.32758	1.3
516.32050	1.3
575.31305	13.2
576.31061	2.5
619.24023	19.3
619.34961	25.2
620.25067	11.9
620.34979	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	621.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64108	1.3
59.01110	2.0
59.01379	26.3
61.98821	4.0
65.85168	1.1
69.34777	5.5
69.35194	3.4
69.38762	1.1
71.01385	15.1
73.02954	19.0
74.02459	1.8
78.39529	1.2
82.04147	1.0
83.01374	4.3
85.02950	2.3
87.00937	2.0
89.02430	4.2
94.02970	1.3
95.86051	1.3
101.02444	10.6
101.20283	1.1
104.05042	2.9
106.06660	2.9
108.04526	3.5
113.02440	4.8
116.92841	3.4
119.03580	1.7
124.04899	1.1
132.04550	37.9
133.04988	1.4
134.06128	29.8
144.04553	1.8
148.04083	1.9
152.07161	1.9
158.02458	1.4
158.06125	3.6
160.04050	2.7
161.04599	1.7
176.03551	7.6
179.05611	1.6
188.03520	1.9
190.05061	7.8
225.11147	1.3
243.12321	1.4
245.09256	3.3
251.11911	4.7
255.11505	2.1
279.11319	17.0
280.11890	1.3
295.10910	3.0
296.11441	4.2
314.12430	3.3
323.10449	11.3
355.13837	1.4
477.18643	4.8
500.21292	2.7
501.18839	13.1
502.19156	2.4
517.18311	2.6
545.17755	100.0
545.68103	1.4
546.18097	11.3
559.19208	13.3
560.19611	1.6
577.20294	27.5
578.20764	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	621.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.1
60.20715	0.3
60.99305	14.9
61.98827	3.6
67.06505	0.2
67.60365	0.3
71.01388	1.4
71.52672	0.4
73.02966	0.4
75.00873	8.0
77.41603	0.3
85.02945	0.4
87.00868	0.6
88.00395	2.0
88.98806	100.0
89.02441	10.4
89.99135	0.7
99.00861	0.4
99.19064	0.3
101.02438	1.3
113.02476	0.4
116.92863	2.1
117.92856	0.3
131.03497	0.5
149.04558	0.7
171.10277	5.3
191.05591	0.6
215.27925	0.3
370.41898	0.3
464.78970	0.3
516.49371	0.4
531.28027	1.3
621.17725	0.4
621.31677	0.4
621.39795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28145	4.1
57.03440	6.8
59.01374	46.9
61.98827	34.6
71.01382	29.9
71.52540	6.7
72.99309	5.4
73.02929	5.2
73.41871	4.2
75.00870	87.4
83.01373	9.1
85.02943	13.3
87.00870	4.6
88.77694	3.8
89.02471	21.2
95.48044	4.1
96.95973	5.9
99.00867	5.9
99.04510	5.7
99.92599	5.2
101.02444	28.1
103.48019	4.9
113.02459	14.4
114.89954	4.3
116.92886	22.9
119.03452	5.2
120.45413	4.3
156.93622	4.4
161.04515	9.4
171.10263	100.0
218.74963	4.6
238.77403	4.5
306.66443	5.1
323.08884	5.2
335.43182	4.5
399.23636	13.7
555.10541	7.9
561.28992	50.4
562.29272	5.6
599.09583	6.7
621.13538	8.3
621.32031	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	623.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
58.00585	0.5
59.01381	6.5
61.98829	11.2
69.32342	3.3
71.01384	3.2
73.02939	1.8
83.01387	0.6
85.02972	1.5
87.00900	0.7
87.04496	0.9
88.98793	1.2
89.02441	1.7
92.80458	0.4
96.96026	1.1
97.02908	0.5
97.06572	0.6
99.04491	0.9
99.92533	0.6
101.02475	2.3
101.03067	0.4
103.00352	0.9
109.06557	0.5
113.02458	1.4
116.92864	1.9
119.04971	1.1
123.08115	0.7
125.02469	0.7
139.11327	0.6
139.55814	0.4
141.12822	0.5
155.10812	0.6
157.12358	0.8
157.88586	0.4
161.04492	0.6
162.40649	0.4
163.04002	0.9
163.11288	0.7
164.29616	0.4
169.12239	0.5
171.10237	0.9
174.01599	0.4
185.11798	1.8
191.10767	1.5
199.09776	0.5
215.12801	0.8
223.02795	0.5
253.09312	0.5
327.21844	2.1
329.23367	1.5
357.26477	5.5
373.25769	3.3
374.26062	1.2
375.27490	100.0
376.27811	8.5
389.28955	1.1
417.28506	1.4
424.55740	0.5
477.30444	0.7
503.31824	1.3
563.30725	1.0
579.34009	1.7
623.22833	1.0
623.36426	3.3
624.34991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58467	0.6
61.98831	100.0
71.41746	1.2
81.32947	0.5
85.66045	0.7
191.84846	0.6
219.21829	0.6
250.23128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18329	0.3
61.98814	0.9
63.02393	0.5
65.00043	0.4
71.01363	1.1
71.51656	0.5
83.01403	0.7
87.24014	0.4
93.03439	0.4
96.96001	0.9
97.65927	0.4
102.98534	0.4
103.00365	1.2
107.01392	1.4
109.02984	1.1
112.02259	1.0
115.00352	0.9
119.05013	2.1
121.02974	0.5
125.02435	0.4
125.06419	0.4
133.01411	2.9
133.02965	0.6
135.04523	0.9
139.04030	0.4
151.00362	7.1
162.02286	0.7
163.00365	1.0
163.03954	2.0
171.04491	0.4
175.00330	1.2
175.04060	0.6
178.99887	1.2
179.03442	0.8
187.03973	0.5
199.03990	3.0
201.01906	0.9
211.04092	0.5
215.03487	1.5
226.02792	1.0
227.03482	2.8
229.05070	0.4
240.48325	0.4
243.02914	3.4
250.04214	0.4
254.02126	0.8
255.02953	1.8
271.02466	57.9
272.02832	3.1
299.01953	100.0
300.02621	15.1
301.03510	43.4
301.06268	0.7
302.03735	2.4
313.03506	1.1
328.04559	0.5
343.04456	1.4
462.08008	22.2
463.08783	34.7
464.09064	2.9
505.09912	0.8
625.14075	91.6
626.14459	9.6
647.57483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2665
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
71.51638	1.6
98.07487	1.0
118.88353	1.0
157.92093	1.0
203.13661	1.0
213.10341	6.4
238.95399	1.3
299.13947	1.8
327.10303	1.5
328.11038	1.1
367.20709	1.2
418.10947	1.3
433.12991	3.1
447.14441	3.4
448.15372	8.5
449.16068	6.3
463.17786	17.9
464.18506	2.5
477.19287	3.6
478.20206	2.4
479.20911	11.8
480.21298	1.3
490.16888	1.5
491.17163	24.4
492.17368	3.6
505.18805	3.7
506.19519	6.1
507.20050	2.9
520.21228	1.1
523.19855	2.4
538.22278	24.5
539.22668	10.1
540.23285	1.6
593.24091	7.2
625.26575	100.0
626.26733	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72923	1.6
57.03449	34.7
59.01383	26.8
61.98827	15.4
69.35951	11.1
71.01381	16.5
73.02959	8.8
75.31561	1.7
79.99617	1.4
83.01400	6.9
85.02970	14.0
87.00922	1.9
89.02454	1.9
92.75653	1.8
93.03463	2.2
95.01376	3.2
96.96014	3.6
99.00906	4.2
99.04524	5.1
101.02453	24.4
113.02438	8.6
116.92899	2.0
125.02429	5.3
129.67902	1.6
147.04512	2.8
161.04608	2.4
180.94577	1.8
209.11830	3.0
273.72412	1.7
319.22665	3.1
406.97037	1.9
463.26923	3.1
481.28055	100.0
482.28424	6.2
523.29138	55.3
524.29431	5.8
563.31989	13.8
580.69556	1.8
625.32178	33.6
626.33057	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	626.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.9
61.98831	22.2
69.32735	14.1
71.01370	5.0
73.02930	2.2
83.01399	3.8
87.83880	1.7
89.02454	2.0
96.95988	2.3
101.02440	2.5
117.03485	5.1
117.78534	1.7
118.03814	2.3
118.98333	1.5
119.05000	6.6
120.05370	2.3
128.03644	1.8
131.05032	3.5
133.06573	2.7
139.11240	1.9
145.02951	17.9
146.03294	9.8
147.03433	2.2
149.06087	2.4
151.00354	3.7
161.06062	4.5
162.06364	4.2
163.04018	3.1
164.04332	2.5
165.04408	1.9
183.04689	1.8
187.03888	2.5
191.07179	2.3
199.03928	4.9
225.11272	3.7
226.02580	2.0
227.03438	5.8
235.06013	1.7
236.06288	2.0
243.02989	13.0
243.12294	2.3
255.02950	16.0
257.78439	1.7
271.02429	30.3
272.03018	3.4
285.03894	2.4
287.05920	2.0
299.01941	60.5
300.02628	32.9
301.03110	2.7
314.04324	46.9
315.05078	94.8
316.05399	3.9
477.16815	2.2
519.11426	100.0
520.11963	8.8
521.33234	4.5
553.21765	2.1
554.22455	2.1
607.23340	2.8
626.25079	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	626.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
71.06467	0.7
78.19241	0.5
89.08162	0.5
90.21631	0.5
152.26791	0.5
318.28000	0.6
422.22711	0.5
443.50156	0.6
455.22644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
59.01372	3.1
61.98830	1.9
69.03455	1.8
71.01377	2.9
71.51687	1.9
71.55903	0.9
73.02950	1.3
78.26480	0.8
81.03457	12.2
83.01382	11.7
85.02969	2.3
87.00894	1.2
87.06612	1.0
87.15888	0.9
89.02430	2.1
92.20268	0.9
93.03445	2.3
95.01393	3.8
95.05020	6.3
96.96009	1.5
97.02950	9.1
99.00832	1.3
99.04513	5.8
99.22224	1.0
101.02422	2.2
103.00362	2.5
105.03526	1.2
107.01389	1.6
107.05020	2.3
108.02231	1.2
109.02946	8.5
111.00841	1.1
111.04523	4.7
112.02242	1.2
113.02466	4.8
119.05021	2.4
120.99666	1.5
121.02968	4.7
121.06568	2.2
123.04525	29.9
125.02454	34.1
126.02757	1.2
133.02959	22.2
135.04523	4.3
137.02452	10.5
137.06094	2.1
138.03186	1.6
139.04018	4.5
147.04486	3.4
149.02458	2.4
149.06131	1.1
151.04062	5.4
153.05573	3.5
155.03429	2.2
162.02170	1.3
163.03987	4.5
165.01881	2.1
165.05566	4.0
166.02647	1.3
167.03496	47.7
168.03874	1.4
177.01904	8.7
177.05609	1.0
179.03497	13.5
181.05031	2.9
187.71429	1.1
191.03477	3.8
193.05096	2.4
197.04549	13.3
205.01347	1.4
205.05028	1.1
206.02220	2.6
207.03043	2.8
209.04544	100.0
210.04883	3.3
219.03111	1.5
220.03871	1.6
221.04553	3.1
223.06009	1.1
233.04561	2.4
235.02467	5.5
239.05600	67.5
240.05920	1.7
247.02428	1.6
250.48715	1.0
251.05516	5.9
261.03821	1.1
264.68689	0.9
264.83887	1.0
265.03488	1.3
265.11105	1.0
269.06650	26.3
270.06894	1.1
277.00565	1.5
277.03506	17.4
281.06650	4.7
289.03406	1.0
302.23199	1.0
307.04547	10.8
311.07605	5.3
319.04636	1.5
323.07492	1.1
329.04938	1.2
329.08755	18.5
330.08960	1.5
337.05704	2.4
341.08737	5.4
359.09909	4.4
379.06448	2.4
387.07220	71.0
388.07605	6.1
397.07629	4.1
399.07111	1.8
413.10675	1.0
417.08276	35.6
418.08521	3.1
429.08264	2.0
447.09140	6.8
449.12881	9.6
489.10498	8.0
507.11398	31.4
508.11725	2.6
517.11969	1.4
519.11218	3.7
537.12225	3.7
609.14380	3.0
627.15802	10.4
628.17114	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	627.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70171	0.8
55.01896	0.9
55.14612	0.8
57.03447	15.3
59.01381	22.2
60.99376	0.9
61.98830	9.1
71.01380	7.3
71.09402	1.7
73.02941	2.1
78.95879	2.1
80.19398	0.9
85.02959	2.2
89.02444	5.8
91.29546	0.9
94.61690	0.8
94.98070	1.2
96.96021	1.2
97.06532	1.1
99.04521	15.4
101.02440	8.3
103.00333	1.3
109.02952	1.5
110.28072	0.9
113.02419	3.2
116.92825	2.6
119.03484	2.5
121.02956	5.9
125.02415	5.9
134.03741	10.6
135.04471	2.4
136.05174	1.0
136.07672	1.5
143.03493	1.3
147.04510	2.0
149.06058	8.0
152.99545	2.7
159.04501	8.1
161.04529	2.2
163.04024	1.6
165.05588	1.3
171.10284	1.2
173.06075	2.3
175.05524	1.0
179.05681	1.3
183.04489	2.2
185.06055	1.2
196.05263	1.3
197.05980	1.4
199.13339	1.2
201.05539	11.2
209.06113	1.7
209.11693	1.6
211.03902	1.6
213.05591	1.5
213.09119	5.7
221.06149	1.3
222.06888	1.5
223.07520	1.4
224.04767	2.2
224.72012	1.0
225.05544	4.1
225.09172	4.0
227.06889	1.4
228.04097	1.0
229.04965	1.2
233.06030	1.9
235.07762	0.9
237.05481	5.0
237.09183	1.8
238.06334	2.7
239.07108	4.0
241.01030	1.1
241.05043	2.3
242.05829	5.3
243.06653	1.8
249.05620	4.5
250.06371	4.9
251.07091	1.8
252.04257	2.1
253.04951	2.6
253.08684	4.7
254.05742	3.4
255.06624	2.9
256.07468	1.2
261.05463	1.5
264.04199	2.6
265.05109	8.9
265.08627	6.1
266.03217	1.7
266.05838	24.3
267.06540	12.0
268.07144	2.0
269.08267	1.1
271.05869	1.4
275.07126	1.3
277.05029	3.6
278.05847	22.2
279.06461	4.7
280.07413	9.8
281.08197	31.8
281.11374	1.6
282.08530	3.1
283.06213	2.0
283.09567	1.4
285.07666	3.5
293.08209	33.8
293.11569	1.8
294.08600	2.5
296.03775	1.5
296.06900	26.2
297.07385	5.0
298.08566	5.4
299.09241	46.6
300.09796	6.3
309.07675	1.9
310.08527	5.1
311.09232	49.9
312.09518	3.0
313.10654	1.5
327.08676	15.6
328.09521	32.0
329.10275	100.0
330.10684	6.5
389.60437	1.0
463.17673	1.5
465.28601	1.8
483.29370	4.1
579.19739	2.6
585.33142	1.0
591.19678	1.2
591.48950	1.0
597.21307	13.3
609.21259	4.6
627.21393	7.8
627.35175	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	627.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03448	75.7
58.00604	0.8
59.01379	100.0
60.01694	0.8
61.98827	7.2
64.92064	0.6
71.01381	29.0
71.52196	0.9
72.99321	1.3
73.02949	6.7
75.00881	0.8
80.96505	0.8
81.03471	2.2
82.83302	0.7
83.01389	5.1
85.02948	10.8
87.00880	1.7
89.02441	13.7
95.01405	2.4
96.96007	1.6
99.00896	2.6
99.04518	99.4
100.04868	1.7
101.02441	35.8
110.08489	0.8
113.02454	11.6
116.92885	2.0
119.03486	6.3
125.02450	40.3
134.03738	0.9
143.03455	4.2
149.06105	0.9
154.07622	0.7
159.03029	1.4
161.04526	6.3
161.85878	0.7
171.10275	1.1
179.05693	2.6
281.08392	0.7
296.07077	0.8
303.23334	0.8
321.24594	0.9
347.73438	0.8
365.23444	1.1
371.20975	1.4
465.28485	16.9
465.34628	1.1
466.29169	1.2
483.29587	33.8
484.30173	2.8
525.30664	6.9
565.34033	1.1
583.35565	1.4
627.25037	1.9
627.34210	27.2
628.33978	3.7
650.42554	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75875	0.9
55.01871	1.5
57.03449	76.2
59.01381	100.0
61.98828	24.5
66.21703	0.9
69.35194	2.7
69.35619	4.6
71.01385	26.8
72.99303	1.9
73.02949	8.5
75.00843	1.3
78.95911	1.2
81.03452	2.9
83.01402	5.9
83.05018	1.0
85.02950	11.6
85.53072	0.8
87.00872	2.4
89.02436	11.0
93.03465	11.0
95.01375	2.3
96.96007	9.3
97.02937	1.0
98.19834	1.8
99.00894	3.2
99.04520	87.4
100.04816	2.0
101.02441	39.5
113.02443	12.0
119.03481	4.0
120.99635	1.1
122.99242	1.1
125.02439	26.7
137.02441	20.0
138.02876	1.0
139.11307	5.4
143.03464	3.2
152.99571	1.0
153.09152	1.9
159.02960	1.5
161.04507	7.9
177.01874	2.7
179.05603	3.2
181.12383	1.6
183.10239	7.6
220.11229	1.3
221.11752	1.0
225.11253	2.6
227.03662	1.1
243.12312	2.0
284.03323	1.6
285.04010	2.3
299.12894	1.9
413.10895	3.0
431.11856	2.7
461.20294	1.4
465.28561	8.7
466.28259	1.1
483.29654	22.6
484.29962	2.3
525.30682	8.3
527.28534	2.6
565.34052	2.4
583.34961	2.1
609.28973	3.1
627.33984	54.8
628.34454	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	629.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61792	0.3
54.41032	0.2
54.54723	0.2
57.03453	2.0
59.01377	4.8
61.85357	0.2
61.98833	4.9
63.02399	0.6
64.73283	0.3
65.00335	0.3
67.40170	0.3
68.99561	0.3
71.01376	2.1
71.06843	0.4
73.02944	0.5
83.01398	0.5
85.02966	0.4
87.00861	0.5
87.04514	0.6
88.98813	1.9
88.99283	0.3
89.02457	0.7
93.03442	1.4
95.01402	0.4
96.96000	1.7
97.02972	0.3
99.04511	2.0
99.92654	0.4
101.02419	1.4
107.01397	1.7
108.02184	0.3
108.29720	0.3
109.02940	0.6
112.98555	0.7
113.02443	0.8
115.92034	0.6
116.92843	1.8
117.03438	0.4
119.03442	0.3
119.05071	0.4
121.02939	0.4
125.02462	1.1
125.06097	0.3
128.74023	0.3
131.05074	0.4
134.03761	0.9
135.00859	1.1
135.04578	0.4
135.08228	0.4
137.02448	0.5
137.09749	0.7
143.05006	0.7
145.02872	0.3
149.06068	1.1
151.00366	2.6
151.07613	0.3
154.04179	0.4
155.10739	2.2
159.04501	0.9
161.04588	0.5
163.00386	1.8
163.04097	0.3
163.11194	0.3
164.01244	0.3
165.02014	0.5
167.05032	0.3
169.01378	0.5
169.06584	0.4
171.04546	0.7
173.06035	0.5
183.04454	0.4
184.05203	0.5
185.06041	2.2
187.03984	2.6
189.05553	0.8
195.04459	0.6
196.84799	0.3
197.05998	0.6
199.03951	0.9
199.09756	3.1
201.05530	0.4
211.03947	1.2
213.05566	2.1
213.11501	0.3
214.02682	0.3
227.03488	8.3
228.03746	0.3
229.05035	8.7
230.05446	0.5
239.03439	1.1
240.04146	0.7
241.04990	1.4
241.10805	1.0
243.12305	0.3
253.10883	0.3
255.02988	12.5
256.03638	2.3
257.04510	6.4
257.07120	0.5
258.04834	0.4
267.02936	0.5
283.11810	1.6
284.03241	9.0
285.04031	100.0
286.04367	6.1
343.13821	0.9
485.30777	0.5
585.27252	0.4
628.34064	0.5
629.18695	15.7
629.35022	1.6
630.19043	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01373	1.3
61.98827	1.7
69.31715	1.4
70.81142	0.2
71.01384	0.5
78.21362	0.2
85.02964	0.2
89.02476	0.2
91.05538	0.4
93.03455	0.4
93.16805	0.2
96.95986	0.2
99.04534	0.6
101.02447	0.5
103.05524	0.3
106.04250	0.4
107.05030	0.4
108.02177	0.3
109.02959	2.1
116.92858	0.7
119.05032	0.3
121.02943	0.9
122.03733	2.0
123.04525	9.3
124.04881	0.4
125.02458	0.2
127.56512	0.2
130.04274	0.8
131.05020	3.0
134.03738	5.9
135.04530	7.0
136.01680	0.2
136.04890	0.3
137.02448	0.5
137.06084	5.0
144.11200	0.2
145.02946	0.5
147.04497	1.8
148.01585	0.2
149.02458	2.7
149.06088	8.3
150.03226	45.6
151.03548	1.6
153.76003	0.2
154.02695	0.3
163.02762	0.2
163.04012	3.4
164.04820	3.2
165.05566	100.0
166.05902	3.1
171.10226	0.3
255.10280	0.2
285.11322	0.5
292.85498	0.2
297.11310	5.8
298.11682	0.3
313.10852	2.1
314.11569	0.8
315.12384	23.0
315.57813	0.2
316.12711	1.6
407.68961	0.2
423.14496	0.9
461.16147	0.4
479.17203	0.5
599.22803	1.2
611.22931	1.5
629.23871	7.4
629.33380	0.5
630.24567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41477	0.2
57.03453	2.8
59.01377	4.5
61.98831	3.3
71.01389	1.5
71.52837	0.3
73.29701	0.3
78.95931	0.4
81.77477	0.3
82.95415	2.5
84.00921	0.3
85.02961	0.8
85.18534	0.3
89.02457	0.5
89.73389	0.2
91.05561	0.4
93.03480	0.7
95.01384	0.3
96.96018	2.5
99.04517	2.6
100.04859	0.4
101.02451	1.5
103.00375	0.9
106.04259	0.6
107.05074	0.4
108.02175	0.4
109.02959	2.5
113.02426	0.9
119.05008	0.6
121.02972	1.1
122.03762	1.7
123.04530	9.2
125.02433	1.4
130.04245	0.8
131.05037	3.6
133.03075	0.3
134.03751	6.8
135.04529	6.6
136.07681	0.4
137.02490	0.6
137.06075	5.0
137.07054	0.4
145.02986	0.3
147.04538	1.5
149.02460	2.7
149.06076	9.7
150.03223	47.3
151.04004	2.7
151.29022	0.3
161.04570	0.3
163.03996	4.2
164.04817	2.6
165.05565	100.0
166.05894	3.1
171.10313	0.3
181.05014	0.5
199.09747	0.3
211.13429	0.4
254.09537	0.3
255.10281	0.6
264.79330	0.3
283.09705	3.6
285.11319	0.8
297.11316	6.4
298.11655	0.4
313.10797	2.0
314.11560	1.0
315.12372	24.0
316.12698	1.4
331.11557	0.3
374.55704	0.3
407.14999	0.3
423.13867	0.4
467.29880	0.4
485.30856	1.1
581.21887	0.4
588.65680	0.4
599.22522	0.7
611.22992	1.5
621.70929	0.3
629.24005	8.7
629.34607	1.9
630.24390	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	90.0
57.86670	1.9
59.01382	93.4
61.51490	1.6
61.98826	19.0
71.01382	31.7
71.52248	2.1
73.02959	9.9
81.03468	3.2
83.01384	7.8
83.05062	2.3
85.02946	13.7
85.16283	1.6
87.00877	3.1
88.21636	1.5
89.02458	9.1
95.01361	2.0
96.96022	1.8
97.02950	1.8
99.00885	2.7
99.04520	100.0
100.04839	2.0
101.02447	46.2
113.02436	15.4
119.03493	3.7
125.02446	53.0
126.02801	2.3
143.03511	6.9
149.06114	3.3
159.02925	2.1
161.04536	9.3
165.05554	2.7
179.05614	5.2
211.13411	3.6
326.02219	1.7
412.07843	1.9
421.77518	1.8
437.28775	2.2
467.30081	34.8
468.30219	4.4
485.31186	70.1
486.31464	6.1
527.32123	5.4
553.33435	4.0
593.28162	1.8
611.37903	4.3
629.35724	21.4
630.37524	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	629.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
57.03449	100.0
58.03764	1.2
59.01379	85.5
60.01724	1.1
61.98833	10.0
69.60413	1.6
69.60815	4.4
70.02960	1.1
71.01381	21.8
72.99305	1.3
73.02944	7.5
74.02476	6.7
81.03416	1.9
83.01390	2.8
85.02950	11.5
86.00137	0.9
87.00851	1.9
88.98808	0.8
89.02451	8.4
89.84183	0.8
93.03482	1.1
95.01398	1.9
96.96014	2.4
97.02943	1.6
98.02473	1.5
99.00901	2.7
99.04517	98.6
100.04832	2.2
101.02442	41.0
103.00381	1.7
111.00885	1.6
113.02457	13.8
116.03588	1.5
116.05093	4.5
119.03517	4.0
121.02964	1.1
123.04516	1.2
125.02449	36.5
126.02798	1.0
128.03537	3.0
130.02919	1.3
134.03726	2.4
134.06125	1.7
135.04509	1.9
136.06642	1.1
136.07668	17.9
137.07999	1.5
143.03491	4.1
147.04471	1.0
149.06071	4.1
150.03242	2.5
158.02486	3.1
161.04555	4.4
165.05605	5.7
179.05598	2.0
190.05099	14.2
203.08241	7.0
230.15816	0.9
245.09293	9.3
279.11386	1.4
284.03326	0.9
307.10858	3.6
308.11093	0.9
315.12363	1.6
339.13461	29.1
340.13803	3.0
381.22562	1.3
422.93906	1.0
456.19266	7.6
457.19809	1.1
467.30109	25.2
468.30569	2.2
485.31161	66.6
486.31436	6.2
527.32458	5.6
528.32257	1.3
567.35254	1.5
585.23187	4.3
597.22809	0.9
629.24854	1.5
629.35400	29.2
630.35907	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	629.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	100.0
58.03756	1.2
59.01379	83.7
61.98826	9.6
63.60257	1.1
70.81794	3.0
71.01014	1.5
71.01384	27.2
72.99291	1.8
73.02946	11.1
81.03443	3.1
81.31263	1.1
83.01377	4.8
85.02938	7.1
89.02450	21.5
92.09544	1.1
93.03475	1.4
95.01381	2.2
96.96002	5.3
98.95567	1.7
99.00924	1.3
99.04517	94.5
100.04845	2.4
101.02438	37.2
103.00361	1.4
109.02943	1.8
113.02456	12.6
115.92056	3.6
116.92872	5.6
119.03505	8.8
121.03062	1.2
122.03750	1.3
123.04514	5.3
125.02441	33.4
131.03482	1.5
131.05032	1.3
134.03732	1.8
137.02444	2.7
141.05566	1.2
143.03534	6.4
149.04588	1.4
149.06044	2.9
150.03229	2.0
151.04030	6.7
161.04535	6.4
163.03954	1.2
179.05603	11.6
181.04987	1.3
187.55014	1.1
283.09790	10.9
285.04114	1.9
313.10687	1.7
386.82571	1.2
427.26901	4.0
467.30124	6.8
485.31171	27.3
486.31384	4.5
527.32465	7.1
585.35254	1.1
611.22510	1.8
629.35345	79.1
630.35773	10.3
637.04230	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	631.243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45745	0.2
59.01377	0.3
61.98820	0.5
73.02947	3.1
75.00877	0.4
77.72607	0.2
99.00893	0.9
99.92586	12.0
100.92629	0.4
114.93422	0.2
116.07199	0.3
116.92862	100.0
116.97202	1.1
117.01939	5.7
117.05564	0.5
117.92872	3.8
129.91589	0.2
159.44569	0.2
191.47832	0.2
229.63275	0.3
238.52211	0.2
283.58722	0.2
297.13116	0.2
511.53336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.08009	0.3
61.98817	1.0
73.02942	3.7
73.44370	0.3
75.00864	0.6
92.47496	0.4
99.00912	0.8
99.92580	11.2
103.46497	0.4
114.93409	0.4
116.07192	0.3
116.92856	100.0
116.97243	2.5
117.01936	7.5
117.92876	3.7
187.15286	0.4
196.18488	0.3
224.70894	0.3
265.25055	0.3
537.97125	0.3
565.87427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37403	0.3
57.03449	0.5
59.01369	1.5
61.98836	3.7
71.07307	0.8
79.05531	2.8
81.03452	3.4
82.38085	0.3
83.01376	0.8
93.03452	1.3
95.05009	0.9
96.95982	0.8
101.02413	0.4
106.04247	5.9
107.05027	1.3
108.02166	3.9
109.02966	0.8
112.98622	0.4
116.92831	1.4
119.05017	1.4
121.02946	5.8
121.06613	2.5
121.98724	0.4
122.03743	5.7
123.04525	17.0
131.05028	0.5
133.06589	1.0
133.10666	0.4
134.03740	76.6
135.03970	1.9
137.06071	1.0
138.03177	0.6
147.04521	3.6
148.01657	2.7
149.06073	95.0
150.03204	2.7
150.06418	2.8
151.00320	0.6
152.86165	0.3
163.04022	3.3
164.04788	5.8
165.05563	100.0
166.05887	2.9
168.87036	0.3
171.10336	0.5
171.53056	0.3
243.06625	0.5
281.12140	0.4
297.11307	4.3
315.12369	61.7
316.12695	4.2
413.14047	0.4
421.43793	0.4
441.17191	0.3
631.25397	2.8
631.36084	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70237	0.6
57.03452	3.6
58.00591	1.5
59.01379	47.4
61.98835	7.6
67.34454	0.5
68.99579	4.1
69.03449	0.6
69.60757	1.4
69.61165	2.3
71.01381	17.1
72.99311	1.4
73.02942	9.7
75.00871	0.7
78.83466	0.6
83.01391	10.4
85.02959	4.6
87.00858	1.4
87.04501	2.4
88.98797	1.8
89.02448	13.8
89.27794	0.5
95.01413	1.3
96.96006	9.7
97.02950	1.0
97.06601	1.1
98.19853	0.5
99.00857	0.8
101.02441	12.3
103.00368	1.4
107.05093	0.6
109.06583	0.9
112.98569	3.9
113.02450	5.9
116.92827	0.5
119.03484	5.8
121.02913	0.8
121.06593	0.6
123.04484	0.8
125.02473	1.1
125.06081	0.7
125.09732	0.7
126.90414	1.5
128.03438	0.7
131.03566	0.8
134.03703	3.1
135.04494	1.8
136.07675	2.1
137.06078	0.7
137.09697	1.5
139.03947	0.6
139.07625	1.3
139.11287	30.6
140.11646	0.8
143.03502	1.3
147.04518	1.1
149.06056	4.0
151.11278	0.8
163.11298	1.5
165.05562	2.4
165.09207	2.0
169.12299	3.8
171.10251	1.1
179.05643	3.1
179.10764	2.3
181.12341	16.7
183.10254	39.3
184.10553	1.4
197.11838	2.7
199.13437	2.8
201.11041	0.7
225.11313	24.3
226.11661	1.9
243.12358	100.0
244.12695	5.0
249.11305	2.0
267.12234	2.2
285.13455	3.5
285.20435	0.6
291.12402	2.5
309.13321	1.3
315.12177	1.3
327.14484	9.3
345.15533	2.1
367.18658	0.6
387.16602	39.9
388.16919	2.8
407.15814	0.6
458.44077	0.6
465.28003	1.0
469.24069	4.9
599.21667	1.1
631.29620	33.7
631.37317	23.3
632.28876	4.3
632.37860	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	631.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.0
57.55591	0.8
59.01379	53.7
60.01729	1.3
61.98536	1.5
61.98830	19.5
64.18777	1.1
71.01376	10.5
72.99296	1.1
73.02946	4.6
74.02480	1.1
76.12650	0.8
80.00707	0.9
83.01387	1.4
83.05009	1.1
85.02945	4.1
87.00867	1.8
88.98825	2.2
89.02445	4.6
93.03431	1.6
94.02962	3.1
95.01421	1.0
96.96018	8.3
97.02959	1.9
97.06544	1.0
99.00895	2.2
99.04520	1.8
101.02445	5.9
103.00348	2.8
106.04269	0.9
108.02077	1.0
109.02959	1.2
113.02436	7.3
115.00372	1.0
116.92863	2.7
119.03522	1.3
121.02934	3.4
123.04483	0.9
125.02448	1.6
128.03589	1.4
134.03737	13.3
134.06120	6.8
135.04520	5.7
135.08125	1.0
139.03966	1.0
139.11287	36.3
143.03513	1.0
147.04518	1.4
149.06070	15.1
152.07079	2.7
161.04604	2.3
161.06038	1.7
163.11357	1.9
165.05515	2.4
165.09143	1.0
171.10229	1.4
174.01826	1.4
181.10825	1.7
181.12332	23.0
183.10260	41.9
184.10588	1.5
197.11768	1.9
199.13332	4.4
216.10268	3.4
225.11331	16.8
243.12354	100.0
244.12715	3.2
255.11432	1.1
257.13831	1.0
260.12924	3.5
272.08942	1.2
285.04031	1.6
285.13382	3.6
306.07687	1.9
315.12418	1.3
321.08795	1.5
373.25851	2.2
374.26187	3.2
387.16595	26.6
388.16754	2.3
405.17548	2.3
407.19415	1.6
451.18488	1.2
474.20422	1.2
571.27142	3.0
599.39722	1.0
601.24408	6.9
602.24646	1.2
613.27570	3.5
631.30615	87.1
632.30652	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	631.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
58.40709	0.4
59.01372	2.5
59.40334	0.3
61.98832	3.9
65.05125	0.3
70.33353	0.7
71.01379	1.5
73.02961	2.3
83.01345	0.3
85.02953	0.8
87.04501	0.4
88.98786	0.9
89.02435	0.9
96.96015	2.1
99.04537	0.4
99.92581	0.5
101.02426	0.9
103.00377	3.8
107.05055	0.4
113.02467	0.7
115.00385	0.3
116.92891	2.3
119.03452	0.4
128.03564	0.4
135.08174	1.1
137.09727	6.3
149.06093	0.5
152.07179	0.7
155.10774	100.0
156.11116	3.3
167.46066	0.3
199.09750	96.6
200.10095	3.5
222.07828	0.5
243.12419	0.6
248.15094	0.3
269.17657	0.7
280.90186	0.4
284.03094	0.5
335.22418	0.4
336.22745	0.4
387.15503	1.2
445.03616	0.4
484.21158	0.4
631.16284	0.5
631.33502	1.1
632.22235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
61.98819	1.7
70.78241	1.9
85.58344	0.7
144.14343	0.6
174.02817	0.6
222.72252	0.8
277.21713	100.0
278.22028	6.0
292.66928	0.7
411.65836	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01380	10.3
66.71898	0.3
67.01896	1.3
67.29115	0.3
69.34651	0.4
69.35057	1.6
71.01382	1.1
72.54630	0.3
72.99306	0.6
75.00858	0.8
82.02984	0.5
85.02950	0.8
87.04499	1.4
94.02986	14.2
95.03334	0.5
97.02940	0.3
101.02481	0.3
103.00371	100.0
104.00709	1.1
112.04042	0.3
113.02425	0.5
135.08107	0.3
137.09738	1.9
139.11244	0.4
155.10764	6.6
169.12448	0.7
179.10719	0.4
181.08600	0.5
184.47510	0.3
195.10271	0.3
199.08173	0.4
199.09758	2.9
203.08313	0.3
213.11424	0.7
241.10884	1.5
278.82413	0.3
283.11838	1.1
315.72437	0.3
325.12900	0.5
343.14041	0.9
408.16531	0.6
426.17807	1.6
438.17719	2.9
456.18759	7.3
457.18695	0.4
614.20465	0.6
632.21906	14.0
633.22180	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	633.019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04923	0.6
59.01379	2.0
71.01385	1.7
71.52278	0.5
72.99324	0.8
73.44877	0.6
79.95736	1.5
89.02407	0.6
94.02979	1.2
95.64452	0.6
96.96011	36.6
97.95958	1.4
98.39923	0.6
98.94951	1.2
98.95597	21.2
98.96423	3.3
99.92585	42.5
100.92641	1.4
100.93379	1.9
115.92078	27.3
116.92862	100.0
117.92911	3.8
117.93614	1.2
126.32538	0.6
141.93677	3.9
142.94464	1.0
151.00339	0.7
156.92349	1.9
158.93942	1.2
168.95998	1.0
169.93076	0.6
170.93901	1.0
175.49826	0.6
177.19884	0.6
184.91844	5.4
184.95714	0.8
185.92618	0.9
196.95500	0.8
198.93526	0.6
212.94928	1.6
226.96587	1.0
227.03552	1.4
242.96098	1.9
243.96852	2.9
244.97604	1.9
255.02992	7.3
256.03363	0.8
261.97916	1.4
283.02509	8.5
284.03275	3.8
285.03995	4.5
286.04407	0.8
303.98880	1.7
310.96750	0.8
330.97656	1.5
337.95285	1.3
338.95929	1.0
347.97812	1.1
365.94629	8.2
366.95459	7.0
367.96164	1.1
368.97189	1.6
382.95023	1.2
383.95831	4.1
384.96579	3.1
395.95752	0.7
396.96597	2.5
482.20352	1.6
510.99399	1.3
547.01758	4.5
548.02417	0.7
571.02185	1.6
589.02917	25.0
590.03345	3.2
633.01855	15.1
633.25464	1.7
634.02441	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	633.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.98821	1.1
71.41611	0.4
73.02951	1.5
73.85751	0.2
88.61770	0.3
99.00898	0.5
99.92588	11.4
105.18209	0.3
114.93403	0.3
116.92865	100.0
116.97253	1.0
117.01961	2.6
117.92883	3.9
124.65495	0.3
145.13834	0.3
329.73077	0.3
409.73544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82206	0.3
57.03447	0.6
59.01380	20.8
60.42746	0.3
68.25409	0.3
69.25376	2.6
77.52863	0.3
83.05022	1.0
89.85321	0.3
90.09554	0.3
94.62840	0.4
96.96014	0.7
97.06577	0.6
103.00381	0.7
131.03493	0.4
131.76311	0.4
139.11287	0.7
142.99838	0.5
152.63272	0.4
161.92776	0.3
163.11267	0.9
165.12851	0.5
167.07108	0.4
179.14386	1.9
181.12413	0.5
195.13954	0.4
197.15474	18.5
198.15782	0.8
225.14963	18.2
226.15298	1.1
243.15996	100.0
244.16350	6.0
244.18762	0.2
257.71286	0.3
285.17068	58.3
286.17361	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52390	0.4
57.03502	0.6
59.01142	1.0
59.01461	6.6
61.98912	5.3
71.01473	2.8
72.98961	1.0
72.99408	7.1
73.03015	1.1
83.01489	0.7
85.03021	0.7
87.00993	7.9
88.00513	2.1
88.98867	1.2
89.02551	1.6
95.05138	0.5
97.03049	0.6
99.00995	0.5
99.92687	0.7
101.02574	1.8
103.00461	0.6
103.47266	0.4
108.08279	1.2
113.02538	0.8
116.92876	3.4
121.05443	0.6
125.02544	0.6
136.07680	12.3
137.08153	0.6
139.04089	1.0
143.83846	0.5
149.06143	0.6
149.63574	0.5
161.04732	0.6
163.11371	0.5
171.10265	6.3
185.11803	3.4
199.13422	1.1
225.11359	1.1
229.78542	0.6
241.09856	0.7
260.47394	0.5
269.09283	4.8
281.09305	0.9
282.10083	1.1
295.14960	0.4
305.24927	0.6
309.24478	0.8
311.26016	2.0
313.23895	2.6
314.09201	1.4
323.25870	9.3
324.26047	0.6
327.25629	1.0
339.25397	5.3
340.25754	0.6
341.26926	2.1
349.23764	0.8
367.24945	3.5
385.25943	100.0
386.26291	8.3
390.18155	4.5
399.27475	4.2
407.18689	0.7
418.17700	12.6
419.18030	1.3
427.26865	3.2
428.27438	0.6
461.19904	0.5
462.16687	11.1
463.16968	1.5
478.19739	0.9
512.18457	0.5
513.30347	1.7
531.32092	0.7
589.26593	2.3
597.32111	0.8
633.25323	16.6
633.33337	1.1
634.25580	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	634.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	0.6
65.53784	0.2
69.17237	0.5
69.17642	1.3
73.02950	1.0
84.16264	0.2
99.00845	0.2
99.92585	8.3
100.92595	0.4
114.93440	0.4
116.92863	100.0
116.97238	0.7
117.01928	2.0
117.92868	4.5
118.69212	0.2
143.88467	0.2
153.99887	0.2
154.10068	0.2
196.94505	0.2
208.86388	0.2
523.44501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88387	0.8
55.83032	0.8
57.10233	0.7
59.01380	13.7
59.54743	0.7
63.07507	0.7
71.01382	12.0
71.50986	1.2
72.99322	1.6
75.90463	0.7
87.00890	2.8
89.02444	2.9
92.91726	0.7
93.03449	1.5
94.34589	0.7
96.95979	0.8
103.00372	75.6
115.00371	33.9
117.03487	3.1
119.05030	18.6
121.02965	1.6
131.05005	1.1
131.95491	0.9
132.05875	1.0
133.01431	100.0
133.06583	1.4
134.01791	1.8
134.03717	2.0
135.04524	21.8
145.01906	0.6
145.02936	16.7
145.06526	1.0
159.04514	1.1
161.06067	11.8
163.04019	16.6
175.02507	4.5
177.01927	1.3
177.05563	2.9
179.03500	23.3
180.03827	0.8
187.03993	12.1
191.07120	4.5
193.03537	8.0
205.05002	2.9
235.06125	38.4
236.06392	1.7
277.06964	1.5
295.04651	3.4
321.06155	0.9
339.07193	38.1
340.07452	2.2
350.49326	0.8
357.18820	0.8
445.58307	0.9
495.45880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.6
69.72475	1.2
69.72869	2.1
71.01385	14.6
72.99312	2.5
73.02946	0.8
85.02981	0.9
87.00881	3.3
89.02466	3.2
93.03457	1.5
96.46945	0.6
96.96014	0.7
101.02468	0.9
103.00372	72.0
104.00682	1.1
112.98180	0.6
115.00373	33.9
117.03479	1.9
119.05027	21.4
120.05399	1.0
121.02940	1.2
127.00413	0.8
128.03543	1.2
131.05045	1.1
132.05855	0.7
133.01428	100.0
133.06581	1.3
134.01820	1.7
134.03719	1.4
135.04529	22.5
136.04788	1.0
138.40294	0.6
145.02954	14.4
145.06595	0.9
149.06094	1.3
159.04501	1.2
161.06075	9.4
163.04002	21.1
173.06062	1.8
175.02495	6.7
177.02017	1.5
177.05536	3.5
179.01889	1.3
179.03490	27.7
180.03851	0.8
187.04004	9.4
191.07112	4.0
193.03537	13.8
205.05057	4.5
217.04942	1.2
235.06108	34.1
236.06522	1.4
277.07071	1.5
295.04532	3.3
321.06244	2.9
339.07162	34.9
340.07523	1.3
424.33685	0.7
435.94815	0.6
601.39301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.98827	0.9
69.98877	0.5
73.02938	1.1
73.36624	0.1
99.00853	0.2
99.92583	7.8
100.92579	0.5
114.93403	0.3
116.92861	100.0
116.97179	1.0
117.01941	2.7
117.92872	3.8
207.82205	0.1
231.68591	0.1
279.23190	0.2
492.81805	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	636.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16793	0.3
58.02974	8.5
59.01378	0.4
63.89617	0.3
70.02978	4.8
71.01375	0.6
72.00897	3.1
91.05531	3.5
96.96021	0.4
99.92587	1.0
103.05576	0.6
116.92859	7.9
117.92876	2.2
119.05041	0.3
133.01468	0.7
135.04503	0.4
147.04521	18.8
148.04784	0.5
162.09254	0.5
163.04042	1.6
164.07159	51.5
165.07530	2.1
203.13918	0.3
206.08212	100.0
207.08525	4.8
225.34731	0.3
250.07216	0.8
612.36517	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35359	0.4
55.01865	0.4
57.03439	1.2
58.00584	0.5
59.01377	10.2
61.98832	3.9
65.03967	2.7
67.01867	0.4
69.03456	1.5
71.01016	0.6
71.01385	10.4
71.52496	0.7
72.99300	1.1
73.02946	2.1
75.00896	0.5
77.05373	0.4
81.03438	1.1
83.01396	1.9
83.05025	1.2
85.02942	3.3
86.77425	0.4
87.00872	3.5
89.02446	4.5
91.04031	0.4
91.05520	1.5
93.03452	1.2
95.01369	0.9
95.05023	1.6
97.02921	0.4
97.06595	2.6
99.00869	0.8
101.02442	6.9
103.05540	0.6
105.07089	1.0
107.05039	0.4
109.06576	2.0
111.04578	0.4
111.08123	0.6
113.02443	3.4
115.05519	2.6
116.92845	0.7
117.07077	1.1
119.03477	0.7
119.05000	0.7
121.06569	0.5
123.08143	1.1
125.09728	9.8
129.07080	0.5
132.05777	0.5
133.10263	0.5
134.03673	0.4
135.08163	1.7
138.69601	0.4
141.01750	0.4
143.03485	0.6
143.99063	0.5
145.05096	2.0
159.11737	0.7
161.04520	1.6
163.11255	1.5
171.10277	1.1
181.12335	0.5
185.10039	0.4
185.11787	3.4
185.13332	0.7
187.09718	1.1
187.11282	0.5
187.14915	4.5
189.12836	0.5
191.10783	0.7
195.11832	1.0
201.12923	0.5
203.14378	0.4
205.12309	1.0
207.10243	1.5
209.11833	8.7
210.12178	0.5
213.12903	5.0
215.10722	1.0
221.11775	0.6
221.15497	0.8
225.11276	0.6
227.14397	0.7
231.13890	11.7
232.14273	0.8
233.11839	1.7
235.08218	1.9
235.13382	0.8
247.13298	0.9
249.14842	2.0
253.09167	1.0
261.15067	0.8
263.16611	0.4
273.15088	0.5
285.14969	1.3
303.19559	0.4
329.10382	0.4
329.24792	0.9
339.23212	1.9
355.22910	0.9
357.24142	1.2
357.28476	0.4
365.21213	1.8
373.23923	2.1
383.17291	0.7
383.22272	14.6
384.22586	0.8
391.24887	1.0
401.23312	12.2
402.23544	1.1
419.24216	3.0
445.20801	0.8
495.52771	0.4
567.27960	0.5
609.32947	0.9
619.31226	100.0
620.31537	13.3
637.32288	22.5
638.32385	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	638.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62775	0.6
57.03440	1.0
61.76037	0.6
61.98832	15.1
61.99146	0.5
69.38271	4.0
73.02937	1.0
74.02499	0.6
77.01894	0.7
88.98804	2.0
89.02486	0.9
97.03010	0.8
99.92610	0.7
107.01401	1.1
108.08202	3.5
113.02452	1.0
116.92859	6.0
117.92846	0.7
119.05038	2.8
120.01251	2.4
124.90197	0.7
125.02446	0.8
132.02148	1.1
135.00903	1.3
139.11255	0.8
151.00381	2.0
152.07193	5.0
155.10806	1.4
158.02434	1.4
159.04585	0.9
163.00377	1.5
163.03940	0.8
166.08722	0.8
185.06071	0.7
187.04004	0.7
190.05090	10.5
199.09753	1.3
211.04016	1.8
214.02647	0.6
227.03500	25.1
228.03825	1.5
229.05060	5.3
239.03505	1.0
243.12407	1.1
255.02982	59.0
256.03561	5.6
257.04504	2.0
263.22937	0.7
283.02536	1.3
284.03259	97.3
285.03986	36.9
286.04449	1.7
301.20248	0.9
311.14005	2.2
337.11884	1.9
355.12891	5.2
379.16278	0.7
389.11218	0.7
389.25464	2.0
397.13788	0.8
440.19290	6.1
471.09204	1.0
489.10406	0.9
515.65234	0.7
517.18323	11.8
518.18481	0.7
531.11426	100.0
532.11694	11.8
637.34973	0.9
638.22687	1.4
639.33667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01392	1.3
57.03436	2.3
59.01391	10.2
60.36789	0.9
60.99313	1.3
61.98830	9.2
71.01391	5.3
71.05034	0.9
73.02956	5.5
74.02493	1.2
78.95888	1.0
83.01379	6.7
85.02957	2.0
88.98804	5.3
89.02427	1.1
96.96024	3.8
97.02921	1.2
100.00408	100.0
101.00699	1.3
101.02421	4.9
116.92876	3.0
119.05035	2.8
120.99661	6.9
124.15520	0.9
134.03735	48.0
135.04321	1.3
137.09711	1.6
139.11314	6.2
148.05339	1.1
149.06084	47.1
150.06403	1.1
151.11282	2.0
160.01665	6.2
162.73077	1.1
163.04033	1.4
165.09239	1.1
169.12334	2.3
175.03987	8.5
179.10788	2.1
181.12315	4.4
181.57426	1.1
183.10287	10.9
190.05115	4.3
191.05858	9.8
197.11803	1.7
206.08199	2.7
225.11287	10.2
243.12363	12.9
249.11241	1.3
250.07195	23.2
251.07835	1.0
267.12418	2.0
268.03833	1.3
269.04535	4.4
285.13446	2.0
291.12341	1.5
309.13113	1.3
327.14334	3.4
359.52917	1.0
387.16586	16.1
431.09470	2.4
460.89038	1.2
473.10873	2.1
521.65594	1.1
578.22034	1.7
620.23724	3.4
638.24518	93.6
639.24872	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	639.1569
Annotation	Isorhamnetin 3-laminaribioside
Peak:m/z	Relative Intensity
51.01723	0.9
57.03416	1.0
59.01383	6.2
65.00317	1.0
69.78234	4.5
70.64451	1.0
85.02949	1.2
89.02421	2.9
92.39202	0.8
96.96052	1.1
101.02475	2.4
103.00375	1.5
107.01381	1.3
113.02448	1.5
116.92825	1.5
124.01593	1.0
149.99577	1.1
151.00377	5.0
161.08206	1.8
163.03998	1.5
164.01025	0.9
189.91725	0.9
196.77132	0.9
214.02696	2.7
226.02718	2.0
241.01318	1.9
242.02170	16.4
243.02939	6.5
245.00928	5.0
255.02898	2.4
257.04391	0.9
270.01682	30.0
271.02423	11.4
273.00323	1.1
285.04086	10.5
286.04663	2.1
298.01184	8.8
299.01968	9.0
300.02768	27.6
301.03088	1.1
313.03522	95.5
314.04175	18.5
315.05093	78.0
315.10565	1.4
316.05576	5.2
327.05045	1.6
341.03183	1.2
341.08618	2.5
357.06088	3.4
389.52457	1.0
461.07294	3.3
476.09662	16.8
477.10342	100.0
478.10770	10.7
519.11414	7.1
535.27484	3.2
553.28510	1.4
639.15607	55.8
640.15985	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	639.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87300	0.5
53.91537	0.5
55.01867	1.1
55.97300	0.5
57.03446	3.0
59.01380	21.5
59.23911	0.5
61.98829	6.3
65.03949	1.7
70.82288	0.7
70.82622	1.1
71.01382	19.8
72.99301	1.7
73.02940	5.2
81.03458	2.0
83.01385	3.9
83.05018	7.1
85.02950	6.8
85.06580	2.1
85.16721	0.6
86.00085	0.7
87.00868	8.5
87.04517	0.7
89.02441	8.4
91.03957	0.9
91.05521	1.1
93.03450	1.0
95.01379	2.1
95.05017	1.8
97.02941	1.9
97.06582	4.4
99.00848	1.1
99.04492	0.7
101.02444	13.1
103.03967	0.6
105.07105	1.2
106.87300	0.5
107.08662	0.7
109.06571	3.4
111.04515	1.0
111.08167	6.4
113.02441	8.1
119.03515	1.4
119.04999	1.8
119.08560	0.6
121.02983	0.7
123.08151	2.0
125.02409	1.5
125.09716	14.2
127.11269	1.4
131.03369	0.5
133.05055	0.6
133.06519	0.8
135.04500	0.7
135.08128	1.6
135.69470	0.5
137.09700	2.1
143.03494	1.6
145.05066	3.8
153.09236	1.2
159.08095	0.8
159.11752	0.7
161.04578	3.7
163.11276	1.2
165.09241	0.9
171.10271	60.7
172.10568	1.8
176.66403	0.6
179.05621	1.5
183.13864	0.9
185.11816	1.8
187.09796	1.6
187.14832	1.5
189.16386	1.2
197.53912	0.6
201.12791	1.6
203.14377	1.1
205.15973	4.4
209.11813	12.9
211.13394	14.6
213.12912	1.1
215.14392	10.1
221.15627	3.0
229.15932	0.8
231.13925	4.8
233.15454	37.0
234.15817	2.5
235.08238	10.4
235.13437	1.1
237.14835	1.0
247.13353	0.9
247.16997	1.4
249.14951	28.9
250.15321	1.4
251.16432	1.5
253.09297	5.2
257.17651	1.4
273.14893	0.6
275.16714	0.6
279.11584	0.7
287.16583	0.8
323.23755	1.8
331.26492	3.0
339.23422	0.7
341.24811	6.2
349.21448	0.7
357.24313	2.5
359.25848	2.4
367.22729	4.5
375.25439	5.7
377.26651	0.7
385.18701	0.9
385.23825	26.9
386.24133	2.5
393.26538	1.6
403.24881	43.6
404.25192	5.0
407.19205	2.3
421.25922	12.3
422.26321	1.2
467.23087	1.3
477.28372	1.3
485.23962	4.0
593.33691	0.9
603.31573	1.1
611.34204	3.7
621.32782	100.0
622.33142	14.6
639.33838	64.9
639.44940	0.8
640.34119	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	641.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13560	0.5
55.60405	0.4
57.03429	1.4
59.01379	13.7
61.98825	4.1
69.03498	0.4
69.55756	0.5
71.01385	8.1
71.05016	1.2
71.51923	0.8
73.02950	1.3
75.00851	0.5
83.01360	1.2
83.05054	0.6
85.02947	1.6
87.00870	2.1
89.02447	6.3
95.05017	0.5
96.95973	0.5
96.98839	0.6
97.02964	3.0
97.06594	1.3
99.00885	8.9
101.02434	6.4
103.00367	1.2
109.06551	0.8
110.03723	0.7
113.02445	3.4
115.00357	1.5
115.80150	0.5
116.52658	0.5
116.92823	0.8
119.03471	1.0
120.41517	0.4
123.08190	0.8
125.02443	1.1
125.09744	3.1
128.03481	0.6
131.07097	1.1
133.01398	2.3
134.03711	0.7
139.10243	0.6
139.11296	8.7
143.03506	0.7
149.06093	0.6
161.04547	0.6
161.09662	0.5
163.03973	0.6
163.11273	5.1
165.23625	0.5
171.10272	2.0
181.12338	10.8
183.10268	6.7
193.05067	1.0
199.13390	6.6
207.10251	16.1
208.10548	1.1
221.06554	0.6
225.11308	27.5
226.11662	1.6
231.83417	0.5
239.12820	0.7
243.12361	16.9
244.12656	1.4
397.13504	3.0
398.36752	0.5
415.14554	2.1
461.19705	0.5
479.19000	1.0
623.25586	1.2
641.26593	100.0
642.26880	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	641.318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57981	1.4
51.76258	1.4
52.35591	1.7
57.03448	88.4
59.01377	72.9
61.98831	57.7
71.01380	45.2
71.05026	1.7
72.99326	1.8
73.02937	13.7
79.95728	3.1
80.96523	4.8
81.03454	2.5
83.01382	5.3
84.94956	1.4
85.02946	18.5
87.00851	3.2
88.98769	1.8
89.02449	19.9
94.98113	1.8
95.01371	4.9
96.96011	17.7
97.02939	2.6
99.00861	5.4
99.04519	38.4
99.92595	2.1
101.01802	2.9
101.02444	50.7
103.00375	2.7
113.02442	20.6
114.93431	1.8
116.92863	4.9
119.03487	7.4
125.02454	17.5
134.03767	1.8
136.05290	4.7
143.03520	2.0
149.06036	2.7
161.04555	6.2
165.09172	3.5
171.10191	1.9
177.02025	1.5
225.00562	2.4
240.81407	1.7
259.16916	2.4
277.18076	3.6
409.21896	2.2
421.22165	16.2
439.23294	58.1
440.23801	5.3
463.23044	3.0
479.26508	5.0
479.33771	5.3
481.24374	19.8
482.24481	2.4
497.27591	43.1
498.27777	4.2
521.27808	5.1
538.60065	1.9
539.28625	24.0
540.29266	2.5
579.31659	7.8
641.19818	3.9
641.31708	100.0
642.31995	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	641.3514
Annotation	(+)-Tenuicausine
Peak:m/z	Relative Intensity
57.03434	2.2
58.02957	2.1
59.01377	4.6
61.98835	6.6
65.00309	1.2
66.03465	0.7
70.02934	0.7
70.25924	2.2
71.01371	1.8
73.02924	1.2
73.04067	4.1
82.02957	1.5
83.01384	1.3
87.05626	1.7
88.04051	1.0
88.98738	0.6
89.02438	1.3
96.96011	0.6
97.04069	0.9
98.02489	1.2
99.04510	2.5
99.92567	2.1
101.02451	1.2
101.07182	0.6
107.01381	1.6
107.03532	0.5
109.04060	2.2
110.02448	2.4
112.04028	2.1
113.02431	0.9
115.05126	2.0
116.03552	0.7
116.07174	1.3
116.92857	17.3
117.92863	1.9
120.99639	2.0
123.05627	1.9
124.04035	3.0
125.02442	7.8
126.05582	1.7
127.05124	12.5
128.03535	4.1
129.06685	2.5
129.10341	1.6
130.05054	1.3
130.08731	35.7
138.05588	1.6
139.05064	1.4
139.08725	1.0
141.06717	1.5
144.07729	1.2
151.00378	10.6
151.08739	2.1
152.92943	0.6
155.08237	0.9
166.04802	0.6
166.06206	12.3
167.04640	2.9
168.07712	0.8
168.09024	1.5
168.11401	1.3
169.01419	7.0
169.06172	0.8
169.09801	1.0
172.10904	0.7
180.07741	1.9
180.10297	0.6
181.06108	1.8
181.13557	1.1
183.14955	1.3
183.21558	0.6
184.07249	18.8
185.05653	1.1
185.07289	0.7
185.16585	9.3
186.12433	0.7
194.09250	1.0
194.11887	0.8
198.08742	1.7
201.82964	0.6
211.12228	0.5
211.14565	2.7
229.15544	3.0
237.09784	1.7
240.13457	0.7
254.50363	0.6
255.11000	4.4
278.18524	0.8
279.14566	1.6
297.15439	1.4
298.24997	8.2
340.18564	1.0
342.23984	1.5
355.27106	1.1
355.57465	0.7
399.26102	3.8
441.27200	1.4
453.27161	2.4
466.30298	0.7
479.26572	0.8
497.27124	0.7
510.29541	10.5
511.29642	1.1
581.32849	2.3
597.24658	0.7
623.34045	21.3
624.34241	2.2
641.24628	12.6
641.34998	100.0
642.24768	1.9
642.35278	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	641.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
61.98832	1.6
69.03467	0.3
70.64378	0.4
71.01382	1.6
83.01366	0.3
83.05047	0.3
85.02937	0.4
87.00874	0.3
89.02442	1.0
91.57561	0.2
92.36696	0.2
96.96018	0.4
101.02428	1.4
111.00854	0.2
111.08203	0.2
113.02448	0.7
119.03507	0.3
128.12291	0.2
133.44649	0.2
155.10774	0.3
161.04541	0.7
165.12718	0.2
167.10768	0.3
167.14381	0.7
183.13902	6.7
184.14302	0.4
193.12343	1.6
211.13380	100.0
212.06264	0.2
212.13728	5.1
221.15343	0.5
228.94868	0.2
235.08255	1.7
236.10628	0.2
253.09270	3.9
254.09641	0.2
293.17346	0.2
387.25439	0.6
405.26312	0.5
429.21350	0.8
447.22351	6.4
448.22656	0.5
563.63513	0.2
623.34467	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3903
Annotation	brassinolide-23-O-glucoside
Peak:m/z	Relative Intensity
53.82442	0.3
57.03447	1.0
59.01372	1.5
61.98829	6.8
69.19405	0.9
69.19806	2.7
71.01384	1.5
71.05010	0.5
76.83936	0.3
83.05018	0.7
85.02955	0.8
96.96010	0.7
99.04509	0.5
101.02435	0.6
107.05042	0.9
109.02969	0.7
111.04532	1.2
113.02462	0.7
116.92891	1.7
121.06599	2.9
122.03721	0.9
123.08156	0.6
132.00618	0.3
135.04539	2.1
135.08183	0.5
136.05301	47.5
137.05704	1.1
137.09680	0.8
147.08151	1.8
148.05202	0.7
149.06090	6.5
150.06874	5.9
162.06789	1.8
163.07645	2.0
164.04782	0.9
164.08470	2.5
165.09204	56.0
166.09535	1.8
167.55669	0.4
182.05966	0.4
195.10260	0.6
201.09581	0.4
209.11758	0.9
211.13364	0.8
225.11314	0.5
232.48317	0.4
236.05444	0.3
300.40271	0.4
311.22192	0.8
311.25781	0.6
313.23825	23.8
314.24268	1.9
335.22272	0.9
388.66370	0.4
415.32526	0.5
443.31458	0.7
461.32700	10.4
462.33130	1.3
478.32840	4.0
479.33777	36.8
480.34064	4.5
493.35223	1.6
521.34662	0.9
641.39038	100.0
642.39325	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	642.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70383	0.4
57.47197	0.3
59.01378	1.3
59.21794	0.3
60.99297	0.5
61.98824	0.7
70.85432	0.4
70.85749	0.7
71.01385	9.0
72.99319	1.4
87.00871	0.5
88.98816	0.8
89.02453	1.2
93.03292	0.4
102.98603	0.7
103.00356	0.8
107.05019	0.7
108.73680	0.3
109.90289	0.4
111.05025	0.3
113.02450	0.4
115.00377	26.1
116.92842	0.4
133.01433	100.0
134.01765	1.5
134.03769	1.9
135.04521	20.1
136.04910	0.5
148.14545	0.4
163.03967	0.5
175.02475	0.4
179.03497	23.7
180.03862	1.3
181.44817	0.4
295.04541	4.8
304.44516	0.4
323.90878	0.4
353.28427	0.5
362.92764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98825	0.4
63.56806	0.2
66.03499	0.2
71.01389	0.4
73.15411	0.2
77.08699	0.2
84.04541	0.9
89.02417	0.4
94.03041	0.3
95.03772	0.2
96.04539	0.3
97.01720	0.4
99.00887	0.5
101.73486	0.2
103.00378	0.8
104.74323	0.2
107.06274	0.2
110.02536	0.5
112.04049	17.1
113.04389	0.4
119.05053	0.2
120.22756	0.2
121.05531	0.2
122.06109	0.2
135.06906	14.4
136.07588	0.7
136.68456	0.2
137.09717	0.6
139.11292	0.6
148.50053	0.2
149.08456	0.6
164.10800	100.0
165.11150	4.4
166.08766	0.4
181.12288	0.3
182.11833	4.1
199.13371	0.2
207.10313	0.4
208.09877	0.7
225.11282	0.6
226.10838	27.0
227.11177	1.3
228.96066	0.2
243.12431	0.3
244.12791	0.4
642.26758	3.7
643.25647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28577	1.0
57.03449	84.3
59.01377	46.8
61.98836	17.1
69.83508	4.8
71.01382	24.3
72.99303	2.3
73.02946	9.1
75.00870	1.2
76.77923	1.0
78.55436	0.9
78.95893	1.3
81.03458	2.8
83.01385	4.4
85.02943	8.0
87.00881	1.5
88.98785	2.1
89.02441	17.8
90.02805	0.9
95.01392	2.3
96.29882	1.2
96.96002	5.1
98.95585	0.9
99.00891	1.2
99.04520	44.8
99.92558	1.3
101.02444	44.3
103.00378	2.3
113.02456	11.1
114.17471	1.1
115.92067	1.8
116.92847	8.8
119.03494	6.7
123.04507	2.7
125.02444	21.6
127.83751	0.9
128.03516	1.0
131.03499	1.4
135.04449	1.0
136.05238	1.3
143.03520	3.5
149.04536	1.6
149.06052	1.5
151.07613	1.4
161.02434	1.0
161.04553	4.1
175.02490	1.2
179.05620	2.7
209.11819	1.1
242.10558	1.1
243.12373	1.1
258.18951	1.2
285.04001	1.3
301.12112	1.1
319.22775	38.6
320.23068	3.4
337.23798	2.1
471.97528	1.1
481.28064	19.4
481.34671	1.7
482.28275	2.8
499.29117	100.0
500.29507	12.0
541.30157	46.4
542.22717	1.5
542.30231	7.2
581.33191	18.6
582.33130	2.7
624.37970	1.0
643.33392	60.1
644.24597	1.0
644.33813	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	645.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91682	1.0
59.01378	18.3
67.85407	1.0
70.02940	1.7
71.01373	3.6
74.02472	23.6
75.00848	0.9
84.71580	0.9
85.02901	1.0
87.00861	2.1
93.03435	1.0
96.04587	0.9
98.02460	4.4
98.19879	3.0
103.00373	100.0
104.00723	1.2
115.00379	5.2
116.03545	12.1
117.03470	2.8
119.05016	20.6
121.09366	0.9
127.00432	0.9
128.03503	3.2
132.04530	6.8
132.05797	1.6
133.01367	1.1
133.06569	2.4
144.04546	2.1
145.02953	19.6
146.03241	1.3
147.04469	1.5
149.05989	1.5
156.96379	1.0
159.04494	2.4
161.06071	12.5
163.04007	19.2
173.69704	1.1
175.02512	5.9
177.05577	4.7
187.03981	14.9
191.07167	4.0
193.03537	8.8
201.06653	2.5
201.99593	1.0
205.05037	4.4
219.07697	2.4
229.67790	1.8
235.06107	48.6
236.06404	2.6
261.08774	29.0
262.08887	1.5
321.05951	1.5
339.07181	47.0
340.07559	4.7
392.07919	1.1
405.75577	1.2
466.88489	1.1
534.26331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	5.6
58.00581	0.4
58.03752	0.4
58.41124	0.3
59.01381	18.3
61.98830	1.2
67.27279	0.3
69.34058	1.4
69.34477	1.3
71.01385	4.7
73.02959	1.8
75.00889	0.9
75.83125	0.3
83.01387	9.9
84.31731	0.3
85.02953	2.0
87.00900	0.6
89.02447	2.7
96.96012	0.9
99.00864	0.7
99.04501	3.0
101.02441	4.7
103.00375	100.0
104.00735	1.0
111.35400	0.3
113.02468	2.4
115.00385	0.6
116.92863	1.7
119.03474	0.4
125.02447	5.9
128.03468	0.4
131.03476	0.7
143.03513	1.2
148.05301	14.0
149.02496	0.4
149.04538	1.9
149.05635	0.6
155.03510	0.7
161.04524	0.8
163.07649	9.2
164.07933	0.7
173.04634	0.3
175.02496	0.5
191.05666	0.6
208.62956	0.3
245.06725	0.7
289.11978	0.8
367.13916	0.4
409.14969	1.8
451.16263	0.4
465.19458	0.7
469.17188	2.9
627.19342	0.5
645.20129	9.3
645.34741	0.9
646.20728	1.3
647.62695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
57.03449	23.1
57.89652	0.6
58.00590	1.5
59.01380	53.9
59.96956	0.5
61.98829	10.4
68.99566	4.1
69.60545	3.4
71.01380	31.3
72.99295	2.3
73.02950	7.6
83.01382	5.4
85.02948	10.7
87.00867	2.5
87.04566	0.8
89.02443	23.8
93.03439	0.7
95.01372	2.7
96.96002	1.4
97.02962	0.7
98.19904	1.3
99.00865	2.1
99.04518	20.0
101.02441	29.2
103.00378	5.8
112.98566	4.7
113.02456	13.3
116.92915	0.7
119.03511	9.6
121.02939	0.6
123.04530	0.7
125.02444	8.9
134.03741	1.5
135.04469	1.3
136.07721	1.1
137.02504	0.6
143.03474	1.8
145.89809	0.7
149.04549	1.2
149.06020	1.4
151.04028	0.7
153.05603	1.2
161.04581	2.9
167.07161	0.9
179.05594	2.7
186.43848	0.6
198.47859	0.6
206.41338	0.7
209.11826	1.2
229.09793	1.1
283.09991	1.0
301.11957	1.0
310.67041	0.8
319.12906	2.6
329.10004	0.9
335.22345	0.7
373.25784	2.5
425.25433	0.7
453.89459	0.6
465.28317	0.7
469.27869	1.2
475.15512	0.6
483.29651	11.4
483.36069	1.0
484.29959	1.2
486.91965	0.6
501.30704	17.7
502.31070	1.8
543.31714	1.7
601.26648	2.7
645.34888	100.0
646.35284	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	645.349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85421	0.7
55.01871	2.0
57.03449	95.3
58.00599	0.9
58.03772	1.4
59.01379	77.6
61.96994	0.8
61.98827	8.2
70.53484	2.7
71.01384	25.8
72.99323	1.2
73.02938	7.3
75.00859	1.5
76.85365	0.8
81.03447	2.7
83.01385	7.7
84.98338	1.1
85.02951	12.8
87.00909	1.7
87.04505	3.1
89.01936	1.2
89.02448	14.3
95.01373	3.5
95.77682	0.9
96.95995	2.5
96.96756	0.8
97.02961	1.3
98.20539	1.0
99.00851	3.0
99.04518	73.9
101.02443	45.5
103.00379	5.2
107.38280	0.8
109.02971	1.5
111.00890	1.2
113.02452	17.8
119.03497	5.5
123.04536	1.5
125.01526	1.7
125.02440	29.2
129.01939	0.9
131.03433	1.0
134.03751	2.4
135.04506	2.1
135.08257	0.9
136.07545	0.9
143.03481	4.9
149.06050	3.7
150.03207	3.8
151.04005	6.3
152.07120	1.0
159.03059	1.3
161.04578	5.5
163.04036	1.5
165.58342	0.8
179.05568	3.2
181.05037	2.3
190.04988	1.0
206.24069	0.9
210.73102	0.8
240.10162	0.8
240.13396	0.8
283.09778	9.6
313.10873	1.2
329.23346	0.9
331.11603	2.1
355.12982	1.3
407.24503	0.9
425.25253	1.5
465.32382	1.0
469.28192	1.5
483.22357	1.3
483.29599	48.9
484.29840	3.9
501.30667	100.0
502.31064	11.2
543.31921	8.4
583.34558	2.1
601.23737	2.5
622.02728	1.0
645.23743	2.0
645.34888	43.0
646.35425	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	647.365
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63257	0.8
57.03450	100.0
58.00583	1.7
58.03774	1.6
59.01379	83.2
61.98830	7.8
69.03402	0.9
69.27477	6.1
69.27885	1.1
69.99391	0.8
71.01384	34.9
72.99303	3.3
73.02948	13.7
81.03459	2.3
82.03866	0.7
83.01387	5.5
85.02952	7.4
87.00857	2.0
87.33537	0.8
89.02442	28.2
95.01390	4.5
96.95986	0.8
97.02976	0.7
97.06580	0.9
98.19938	1.7
99.00868	2.5
99.04520	62.5
99.92584	9.1
100.04859	1.4
101.02445	41.2
103.00344	1.0
113.02454	26.1
116.92861	73.3
116.97243	1.4
117.01923	6.8
117.92867	4.0
119.03500	10.7
119.95052	0.8
123.04520	2.6
125.02448	27.5
134.03806	1.4
143.03529	5.3
149.04576	1.7
161.04568	7.4
165.05403	1.0
179.05618	7.7
187.01291	0.7
268.68378	0.9
281.08148	1.6
293.08224	1.3
294.92361	0.8
296.10556	0.9
300.18533	0.8
311.12820	3.9
323.12936	2.6
323.25729	1.2
385.57843	0.9
454.88651	0.8
485.31195	42.3
486.31577	4.6
489.20078	0.9
503.32254	87.2
504.32614	10.5
527.32709	1.7
545.33380	9.9
546.33411	1.3
585.36096	1.5
590.50708	0.8
647.36462	39.7
648.36707	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	647.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03447	1.9
58.00593	2.2
59.01379	52.9
60.01750	0.5
60.80836	0.3
61.98823	2.2
69.36346	1.2
69.36772	1.2
71.01381	31.5
72.01707	0.5
72.75452	0.3
72.99304	2.5
73.02946	2.7
75.00866	0.3
81.03472	0.3
83.01369	2.3
84.02165	0.4
85.02953	8.5
86.00062	0.3
87.00864	1.5
88.98787	0.4
89.02444	30.2
90.02779	0.4
95.01379	2.4
96.95975	0.4
99.00903	0.9
99.04523	0.8
101.02441	17.9
102.02752	0.3
103.00366	0.5
108.06550	0.3
111.00880	0.4
113.02451	12.4
114.05666	0.3
117.03448	0.8
119.03499	11.1
119.04926	0.6
121.02820	0.4
128.03571	0.5
131.03520	0.8
134.03745	1.1
135.04424	0.4
136.07646	0.4
139.11302	0.5
143.03574	1.7
143.04562	0.5
145.02959	3.2
149.04555	0.5
149.06084	1.4
152.07109	0.3
153.01912	0.4
159.02919	0.4
161.04539	2.1
171.10190	0.3
179.05634	3.7
183.10287	0.6
190.20081	0.3
199.53365	0.3
216.10381	0.4
228.20468	0.3
243.12277	0.4
260.09167	0.8
293.79785	0.3
303.17953	0.4
306.07684	0.6
307.07892	0.5
467.30161	0.6
485.31024	1.4
543.28259	0.4
551.21039	0.3
647.36456	100.0
648.26422	2.1
648.36737	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	647.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55060	0.5
51.83963	0.6
55.01881	1.7
57.03449	81.5
58.00607	0.6
58.03791	1.0
59.01381	56.9
61.98831	7.2
70.49502	1.8
71.01382	25.4
71.01785	0.9
72.99321	1.5
73.02946	8.1
75.00900	0.5
81.03458	1.7
83.01380	5.0
85.02955	14.2
86.00109	0.7
87.00880	1.6
87.04521	3.3
88.35107	0.6
89.02448	6.8
95.01406	2.4
96.96027	0.9
97.02984	1.0
99.00883	3.7
99.04520	51.2
99.92590	0.8
100.04887	1.1
101.02444	38.0
102.02778	0.8
108.02200	0.7
109.02951	0.8
111.00890	2.5
113.02455	14.0
114.93414	1.9
116.92850	3.1
119.03510	3.2
121.02942	1.1
122.74290	0.5
125.02444	21.3
126.02804	0.8
128.90277	0.5
129.01953	0.7
134.03737	1.9
135.04466	0.6
141.01903	0.5
143.03506	4.7
149.06096	2.6
150.03198	1.2
151.04002	1.4
159.03011	1.7
161.04568	5.7
163.03897	0.8
181.05025	0.8
201.11395	2.9
209.11784	2.5
227.13005	0.7
253.09410	0.6
283.09790	1.0
284.03494	0.7
284.10199	1.2
285.10464	0.8
331.11823	2.2
335.22278	1.6
336.22571	2.7
341.26889	0.7
374.26303	0.7
397.25946	0.9
399.23932	1.2
405.28796	0.5
415.26883	1.0
427.27060	2.2
467.29749	0.9
485.31168	42.2
486.31546	6.4
503.32251	100.0
504.32611	12.8
545.33203	11.5
546.33447	1.5
582.81165	0.5
585.36151	1.9
647.36389	48.0
648.36871	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
57.21693	0.4
58.00602	0.8
59.01376	13.6
60.14736	0.3
61.98845	0.9
62.21679	0.4
69.03461	0.5
69.71504	2.2
71.01389	3.9
72.99315	0.7
73.02961	2.9
75.00871	1.1
78.26989	0.4
78.91800	0.4
83.01403	0.6
85.02959	1.5
87.00881	0.9
87.04518	2.4
89.02447	2.4
94.03000	1.7
95.25646	0.5
97.00126	0.5
97.02974	0.6
99.00863	0.7
101.02445	7.4
103.00371	100.0
104.00698	1.4
113.02436	1.6
115.00392	2.8
116.92854	0.6
119.03441	0.6
119.05044	0.5
125.02478	0.5
137.09700	4.4
139.11256	1.3
141.01921	0.7
151.11150	0.4
155.10765	15.9
155.12050	0.8
156.11032	0.5
169.12312	0.9
175.11241	0.6
176.11604	0.5
179.10690	0.5
181.08679	1.4
183.10188	1.2
195.09999	0.4
199.09741	11.6
200.09985	0.7
213.11290	1.4
219.10190	1.4
225.11215	0.8
241.10776	5.2
242.11079	0.5
255.12254	0.4
265.38232	0.4
271.11591	0.4
283.11923	3.3
301.12988	2.2
329.12390	1.2
340.79337	0.5
343.13535	0.6
357.11627	1.2
361.15042	2.5
385.14880	1.2
427.16660	0.4
445.16959	2.5
459.14417	0.6
472.12839	0.4
472.18332	3.8
482.19989	0.6
500.21344	1.8
519.17169	2.9
564.14386	0.5
621.20105	3.3
622.20135	0.6
630.20782	0.5
647.36615	0.6
648.21320	14.3
648.36206	0.7
649.21539	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
59.01382	2.0
61.98835	2.1
70.08981	0.5
71.01376	0.7
73.02946	2.5
75.00870	0.3
85.02928	0.5
87.00866	0.3
89.02432	0.4
92.67991	0.2
92.99300	0.2
95.71999	0.2
98.19971	0.2
99.00884	0.6
99.04521	1.0
99.92581	10.3
100.92625	0.2
101.02476	0.9
103.00381	0.6
114.93383	0.2
116.92860	100.0
116.97203	1.4
117.01945	4.2
117.92867	4.5
125.02440	0.5
149.06102	0.2
153.70972	0.2
155.78065	0.2
161.04521	0.2
169.12294	0.3
171.10269	1.8
209.11856	1.2
221.16273	0.2
371.77649	0.2
385.25815	0.3
487.32944	0.9
505.33667	1.9
634.05658	0.2
649.37915	0.8
679.83441	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.1
59.01376	10.4
59.63018	0.3
60.74512	0.3
69.21506	1.3
69.21927	1.9
69.32718	0.3
72.99305	0.8
81.03455	0.8
83.05025	1.0
91.05531	1.1
93.07117	0.7
98.20656	0.8
119.05013	2.7
119.08641	3.7
121.06597	1.0
133.10228	1.9
137.09720	22.1
138.10097	0.9
141.07138	1.9
145.06596	2.8
149.09717	0.7
151.11273	0.5
155.08644	0.7
157.06561	1.7
157.10222	1.4
159.08156	9.9
160.08945	11.2
161.09561	1.2
163.11301	0.6
167.14388	0.4
173.09708	5.0
174.10167	0.4
175.11269	54.6
176.11617	3.0
177.12823	4.7
193.12257	0.6
196.25407	0.4
205.77562	0.5
215.71471	0.3
219.10248	100.0
220.10574	7.1
221.11827	4.7
222.63974	0.3
237.11230	0.5
239.12872	73.8
240.13181	4.1
279.12439	0.5
281.13919	40.4
282.14328	2.9
328.79794	0.4
422.27765	0.4
526.15710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1567
Annotation	Ricinitin
Peak:m/z	Relative Intensity
59.01377	3.9
63.02409	0.6
65.00338	0.6
71.00996	0.4
71.01378	1.5
71.51373	0.5
74.02487	0.5
83.01383	0.5
83.84734	0.4
89.02450	1.2
93.03496	0.9
103.00385	0.9
107.01368	0.8
116.92822	0.8
117.03474	1.2
119.04969	0.4
129.01970	0.5
131.07150	3.1
133.01414	1.6
133.02965	0.4
134.03758	0.4
135.04477	0.7
143.05032	0.4
151.00403	2.0
155.05016	0.5
159.04507	0.8
161.08192	3.1
163.03996	1.2
169.06589	0.6
171.04593	0.6
173.02322	0.4
175.00311	0.4
183.04501	3.3
185.06113	0.6
187.03996	1.1
189.82806	0.3
193.05025	0.5
195.05054	1.2
203.09239	0.6
211.04022	2.6
213.05417	0.6
215.03503	0.4
227.03461	6.5
228.03897	0.5
229.05084	0.6
239.03465	0.9
255.02968	49.0
256.03403	3.0
257.04327	0.5
269.04532	0.9
276.74533	0.4
281.04510	0.5
283.02463	100.0
284.03040	11.6
285.04031	79.4
286.04355	5.0
297.03952	1.1
327.05109	3.2
338.99612	0.4
341.08755	0.8
351.04691	0.5
397.95358	0.3
446.08502	16.1
447.09247	14.1
448.09583	1.2
485.05865	0.4
489.10342	23.8
490.10770	2.8
519.24280	0.8
531.11334	3.2
591.13153	0.5
651.15631	53.0
652.15991	7.8
652.26282	0.6
662.42633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1563
Annotation	Kaempferol 3-(6''-acetylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
57.20585	0.3
59.01361	0.5
63.02403	0.5
64.43343	0.4
64.67619	0.3
65.00332	0.6
69.71637	1.1
69.72055	0.9
73.03072	0.3
75.11632	0.3
83.01385	0.5
86.15163	0.3
93.03471	0.9
101.02473	0.4
101.22242	0.4
103.00357	1.2
103.75556	0.3
104.42982	0.4
107.01385	1.1
117.03489	1.1
119.05020	4.0
124.49034	0.3
135.00894	0.5
143.05038	0.5
151.00323	2.2
155.05011	0.4
159.04510	0.9
163.04007	4.2
167.04990	0.4
169.06621	0.8
171.04424	0.7
183.04538	3.0
185.05972	0.4
187.03990	1.0
193.03506	0.4
195.05109	0.7
211.03967	3.1
214.02689	0.5
215.03453	0.5
227.03493	6.3
239.03490	0.5
241.05031	0.3
255.02974	47.4
256.03406	4.2
269.04483	0.7
281.04440	0.9
283.02472	100.0
284.03076	12.7
285.04028	70.5
286.04352	5.0
297.04007	1.2
327.05026	3.4
339.07175	0.8
446.08530	16.1
447.09222	14.5
448.09747	1.4
489.10364	24.3
490.10663	2.1
531.11090	2.6
532.11633	0.6
651.15656	51.3
652.15997	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	651.1562
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
58.45696	0.3
63.02398	0.6
65.00333	0.7
69.78925	1.6
71.54578	0.3
71.86592	0.3
93.03457	0.9
93.88860	0.3
103.22965	0.3
107.01409	1.0
117.03466	1.0
135.00862	0.5
151.00346	1.7
155.05077	0.5
159.04497	0.7
163.00415	0.4
164.18199	0.3
167.05051	0.5
169.06569	0.7
171.04535	0.6
183.04564	3.3
184.04987	0.4
185.02513	0.4
185.06047	0.6
187.04002	0.9
199.03958	0.4
211.02231	0.4
211.03981	2.4
213.05533	0.7
214.02667	0.3
215.03404	0.6
217.37053	0.3
227.03490	5.3
229.04938	0.7
239.03407	0.6
243.03085	0.5
255.02974	47.2
256.03442	3.4
257.04605	0.9
269.04465	0.9
281.04575	0.5
283.02463	100.0
284.03082	13.8
285.04028	77.9
286.04407	4.7
297.03967	1.3
298.04669	0.3
299.05557	0.7
307.06085	0.4
327.05042	3.6
446.08539	17.4
447.09225	14.6
448.09702	0.9
489.10367	24.4
490.10541	2.1
531.11298	2.4
651.15625	53.6
652.15955	8.2
658.73010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1565
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
54.04064	0.4
57.65279	0.4
59.01365	0.8
61.98824	0.8
63.02407	0.5
65.00331	0.6
67.66945	0.4
70.02970	0.5
71.51898	0.5
74.02469	2.2
85.49780	0.4
90.12124	0.4
93.03471	1.0
98.02478	0.7
107.01394	1.1
116.05086	1.0
117.03484	1.2
135.00885	0.6
145.02899	0.4
151.00427	2.2
154.04224	0.6
155.05028	0.8
159.04498	0.8
164.01283	0.5
167.04977	0.5
169.06625	1.2
171.04520	0.8
173.02368	0.5
182.03789	0.6
183.04501	3.7
185.02357	0.6
185.06082	0.5
187.03975	0.8
189.05542	0.7
199.42087	0.4
203.08267	1.6
211.03972	3.0
213.05563	0.7
216.56851	0.4
226.02779	0.6
227.03482	6.2
228.03839	0.7
229.04997	1.0
239.03500	0.8
241.51862	0.5
245.09291	4.2
246.09647	1.3
255.02979	53.0
255.91495	0.4
256.03476	3.8
257.04465	1.4
269.04474	1.0
283.02472	100.0
284.03104	14.9
285.04037	70.2
286.04395	4.3
297.04010	1.8
298.04684	0.7
306.66895	0.5
326.04291	0.5
327.05005	4.0
361.13275	0.5
446.08557	1.2
447.09323	29.4
448.09683	2.6
461.10416	0.4
488.09616	17.0
489.10321	29.1
490.10428	2.5
651.15637	53.4
652.16077	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	651.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71355	0.4
54.70715	0.4
57.81599	0.4
58.02966	0.5
59.01378	0.8
63.02422	1.2
66.31503	0.5
68.99094	0.4
69.52612	3.0
74.02489	2.1
79.45941	0.4
83.01413	0.6
83.07639	0.4
91.01864	0.4
91.46157	0.4
93.03447	1.3
98.19842	0.5
107.01407	1.3
116.03519	1.0
116.05019	0.5
117.03448	1.5
151.00368	2.0
154.04218	0.4
159.04488	1.1
163.00304	0.6
173.02452	0.5
183.04480	3.3
185.05998	0.7
187.04008	0.9
203.08282	2.4
204.08588	0.6
211.04004	3.3
213.05542	0.7
215.03717	0.4
227.03500	8.1
229.05121	1.1
245.09302	4.7
246.09685	1.5
255.02979	53.6
256.03430	3.4
257.04514	1.2
269.04553	0.6
281.04620	0.8
283.02466	100.0
284.03049	16.3
285.04028	67.8
286.04434	4.3
297.03989	1.4
298.04736	0.6
309.03857	0.6
327.05167	2.9
361.13895	0.5
446.08679	0.7
447.09323	27.2
448.09500	3.0
488.09598	13.3
489.10318	28.6
490.10626	2.8
651.15649	51.8
652.16095	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	651.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82272	1.0
52.03926	1.1
56.91114	1.1
59.01376	2.9
61.98829	1.4
62.12819	1.2
71.01375	2.6
71.32780	1.1
74.07538	1.1
75.89761	1.0
85.02946	3.1
89.02464	1.4
94.06616	2.5
98.19857	2.4
103.00348	1.2
106.06601	4.5
108.04547	1.7
108.08204	2.1
117.45221	1.2
118.06619	3.0
119.04995	5.0
122.06126	20.2
124.07662	3.4
134.06129	15.4
136.07686	33.8
145.02925	3.8
146.06122	18.4
147.03299	1.1
149.04733	3.7
150.05614	5.0
154.05107	1.9
162.05598	1.6
163.03983	3.3
164.07161	47.3
168.06638	1.1
178.05003	1.8
178.08736	2.5
181.97723	1.1
186.05655	2.9
186.09242	4.4
187.09975	1.5
191.08282	11.0
201.06752	1.8
204.03392	1.2
205.09741	4.8
206.08223	8.7
215.08171	3.0
219.08977	4.8
230.08214	8.9
231.09064	7.3
233.09288	21.9
241.09839	2.4
243.16049	2.8
251.10394	10.5
253.09743	1.9
255.02980	1.4
263.07965	31.8
264.08368	1.3
269.12878	5.1
271.10944	5.8
283.02484	3.4
284.02820	1.6
285.04068	3.2
285.17294	1.9
301.11844	6.2
302.17639	16.4
306.07581	1.2
311.17639	3.6
319.13016	2.0
327.13632	1.2
337.14090	1.1
339.13403	1.7
355.16595	29.2
356.16748	1.6
381.14474	4.1
399.15594	67.0
400.15866	5.1
428.91522	1.3
591.24469	19.6
592.24902	3.1
633.25653	55.2
634.25671	8.8
651.16577	4.9
651.26660	100.0
652.17218	1.8
652.27155	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	653.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.0
58.49835	0.7
59.01378	16.5
66.64946	0.8
70.50368	0.7
70.50704	1.5
75.47205	0.7
83.05016	3.3
97.06579	1.3
119.08654	3.9
121.06590	1.3
137.09721	29.0
138.10051	0.8
143.74869	0.6
149.09668	1.2
161.09703	1.4
163.11308	1.7
165.12848	0.8
167.14375	1.4
177.12833	6.4
179.14474	1.4
188.73393	0.6
195.12257	1.0
195.13899	8.5
221.11829	4.4
223.13400	8.5
239.12880	100.0
240.13237	6.1
241.14449	48.3
242.14720	3.1
255.48761	0.7
281.13922	58.7
282.14224	4.1
283.15491	28.7
284.15845	1.7
566.50427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08439	0.5
55.01878	1.2
57.03442	0.8
58.00586	1.8
59.01381	38.8
60.01749	0.5
61.98823	1.7
67.66428	0.5
68.99816	0.6
69.03456	3.0
69.83678	2.6
71.01382	34.8
72.01725	0.8
72.99310	2.2
73.02949	6.1
75.00872	1.0
75.08488	0.5
81.03462	1.2
81.83120	0.4
83.01388	3.9
85.02946	8.4
87.00877	9.6
89.02444	32.7
91.04037	0.8
95.01391	2.8
97.02943	6.2
98.19994	0.8
99.00881	2.6
99.04485	0.6
101.02440	29.7
111.04497	0.9
113.02454	15.0
115.03977	1.0
119.03502	9.6
121.02942	0.8
124.01692	0.7
125.02443	14.4
127.04030	0.6
131.03493	1.2
133.05057	0.9
139.04053	1.2
141.01917	0.9
143.03502	6.7
149.04536	1.0
161.04555	6.1
167.03447	0.7
169.05055	0.5
179.05615	5.4
185.04515	0.5
217.07124	1.3
221.06561	2.7
235.08224	16.4
245.06824	1.2
253.09241	3.0
255.23291	100.0
256.23663	8.5
263.07730	1.6
269.24954	1.3
277.09491	0.7
287.07813	3.4
305.08817	4.8
323.09900	1.8
375.00986	0.5
379.12521	1.0
397.13492	99.6
398.13815	7.3
415.14584	33.8
415.18835	0.7
416.14807	2.2
552.43964	0.6
653.37775	0.8
678.80750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89750	0.2
55.01871	1.4
57.03451	0.8
58.00586	1.4
59.01379	38.6
60.01717	0.3
61.98820	0.6
67.01904	0.3
68.99820	0.4
69.03454	2.0
71.01379	32.5
72.01727	0.4
72.99303	2.5
73.02948	6.3
73.41961	0.2
74.03236	0.2
75.00870	0.9
79.01924	0.2
81.03448	1.2
83.01386	4.0
83.05013	0.3
85.02950	7.1
86.00079	0.3
86.03310	0.2
87.00333	0.4
87.00874	8.2
87.04486	0.2
89.02444	30.4
90.02779	0.5
91.04018	0.7
93.03444	0.3
95.01384	2.6
95.05043	0.2
95.56612	0.2
97.02950	5.1
99.00879	2.0
99.04523	0.6
101.02441	27.7
102.02784	0.4
103.00358	0.3
103.04028	0.4
109.02948	0.6
111.00896	0.5
111.04539	1.2
112.01665	0.2
113.02444	13.4
114.02772	0.2
115.04029	0.8
119.03498	8.9
120.03867	0.2
121.02945	0.7
123.00876	0.3
123.04562	0.4
124.01665	0.5
125.02446	12.9
126.02792	0.3
127.04002	0.6
131.03511	1.2
133.05060	1.0
137.02460	0.3
139.03995	0.9
141.01926	0.7
143.03500	5.9
143.04611	0.4
149.04504	0.9
151.04008	0.3
157.05011	0.2
161.04544	7.1
162.04865	0.2
163.03932	0.2
167.03564	0.9
169.05051	0.6
171.02962	0.4
175.30360	0.2
179.03926	0.3
179.05591	5.9
181.05113	0.2
185.04546	0.8
199.06123	0.4
200.96501	0.2
201.11159	0.2
203.05597	0.5
217.07181	0.9
219.05112	0.5
221.06665	1.9
235.08217	14.4
236.08604	0.8
245.06660	0.7
253.09286	3.1
255.23276	100.0
256.23605	7.5
259.08237	0.3
263.07678	1.8
269.24878	0.6
277.09467	0.9
287.07684	3.3
305.08786	5.2
306.09091	0.3
323.09781	2.0
353.12466	0.2
361.11475	0.6
379.12265	0.9
380.13419	0.3
397.13477	98.4
398.13818	7.2
415.14539	33.3
416.14874	2.5
444.60318	0.2
460.44937	0.2
653.37518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.95298	0.8
61.22125	0.9
61.98833	7.2
69.21759	2.4
69.22162	5.7
88.55627	0.9
92.24993	0.8
96.07983	0.8
99.10525	0.9
110.15124	0.9
110.32486	1.0
129.72910	0.9
141.01703	68.7
142.05046	1.6
222.79817	0.8
239.44084	0.8
277.21677	3.7
357.87506	0.8
359.21881	1.4
381.64789	0.9
529.21667	1.0
535.27460	1.6
602.40503	1.1
655.35754	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.13801	1.2
61.98836	12.4
66.32479	1.2
71.51402	1.5
71.55058	1.5
96.99320	8.6
97.02901	2.3
97.24503	1.2
140.98286	1.8
141.01704	74.1
142.02083	2.0
142.05086	4.8
154.10757	1.4
156.20818	1.8
275.06244	4.1
277.21652	3.2
391.19601	1.8
535.27350	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	655.37
Annotation	Russelioside A
Peak:m/z	Relative Intensity
57.03430	0.8
59.01378	2.7
61.98828	7.0
69.26822	1.7
69.27251	1.5
71.01374	1.9
73.02948	0.6
81.03493	0.4
85.02935	1.1
88.98826	2.7
89.02444	0.9
96.96011	0.7
97.06575	0.7
99.04492	0.5
101.02441	1.1
103.00349	0.6
106.04199	0.4
107.04998	0.6
109.02937	0.4
109.06576	0.7
111.04518	1.1
113.02435	1.5
116.92812	1.0
121.06585	3.0
122.03728	1.4
123.04504	0.9
123.08150	0.9
130.76109	0.4
135.04500	1.4
135.08156	0.8
136.05301	30.9
137.05962	1.3
137.09697	0.5
139.07660	0.4
139.11281	0.8
147.08121	1.6
148.05238	0.8
149.06084	5.2
150.06866	5.9
157.12291	0.4
162.06847	0.7
163.07632	1.4
164.04750	0.7
164.08359	1.6
165.09207	46.5
166.09549	2.1
171.10196	0.8
177.09140	0.6
179.10794	0.7
185.11835	6.7
207.10217	1.6
209.11816	6.0
211.13411	2.9
214.12135	0.6
225.11301	1.3
227.00038	0.4
227.03505	1.5
227.12880	0.5
253.93105	0.4
255.02956	3.4
284.03226	2.4
285.03995	3.1
291.19669	1.1
292.16754	0.5
297.35965	0.4
307.19250	1.1
309.20566	1.0
327.21753	26.6
328.22028	2.3
383.21906	0.7
401.23444	2.0
419.24362	0.8
431.31845	0.6
449.31848	0.5
457.29456	0.7
475.30612	9.2
476.30908	1.0
488.33182	0.5
492.30936	1.9
493.31616	34.7
494.31943	4.6
507.33191	1.7
535.32739	0.8
621.38647	0.6
637.22113	0.5
637.31885	2.7
638.32794	0.6
655.36963	100.0
656.20667	0.8
656.37317	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	655.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74046	0.6
57.03444	0.6
58.37393	0.5
59.01381	4.6
59.61109	0.6
61.98829	6.1
69.17036	3.1
69.17456	2.6
69.69177	0.5
71.01363	3.2
77.10374	0.6
80.40908	0.7
85.02945	1.8
89.02428	0.6
94.02946	0.7
95.05019	0.8
99.00888	0.9
101.02425	2.9
106.86746	0.6
109.06607	0.9
113.02425	1.4
123.04523	0.9
134.06218	0.7
135.08156	2.8
149.06097	5.0
150.06862	68.0
151.07243	2.3
161.09669	1.0
163.07668	10.4
163.11290	0.8
164.08423	13.1
165.08792	0.7
171.10246	2.3
177.09235	1.0
178.09937	0.9
179.10770	35.1
180.11102	1.3
185.11845	1.0
207.10193	3.4
209.11819	0.8
211.13383	6.4
216.16190	0.7
225.11287	4.4
235.08136	0.8
253.09489	1.2
311.25790	1.1
313.23846	19.2
314.24066	1.7
318.12561	0.7
383.22290	0.8
392.27847	0.6
401.23145	1.9
419.24597	0.8
461.20383	0.9
474.33337	0.8
475.34406	6.5
478.32669	3.3
492.34616	8.4
493.35321	37.1
494.35559	3.8
507.36783	1.4
535.23126	0.8
535.36249	0.9
579.22131	0.8
611.37988	1.8
637.31750	3.8
655.40710	100.0
656.41083	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	656.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66822	0.2
54.48803	0.2
59.01377	1.1
61.98821	1.8
65.17131	0.2
68.77181	0.2
71.01380	0.9
71.52509	0.4
73.02948	0.6
85.01402	0.3
89.02441	0.5
94.17941	0.3
95.01392	0.3
101.02451	0.6
105.03446	0.3
117.03472	5.8
118.04280	0.5
119.05030	18.6
120.05361	0.6
121.02962	4.4
121.74934	0.2
123.04517	1.3
133.02950	0.6
134.03714	0.7
145.02951	19.7
145.05023	1.2
146.03299	0.6
162.03252	1.8
163.04012	11.4
164.04332	0.4
174.88957	0.3
175.67328	0.3
209.11743	0.4
283.10406	0.3
288.16043	100.0
289.16397	7.3
302.17538	2.2
307.10284	2.3
453.14212	1.3
549.86688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.3
61.98826	4.3
62.88451	0.4
68.00859	0.4
68.99860	0.5
69.40800	1.2
69.41213	2.0
71.01393	2.0
80.05086	0.5
80.35564	0.4
83.05031	0.6
85.02943	0.7
87.00857	0.5
89.02444	1.1
98.20710	1.0
101.02455	1.7
106.06639	0.7
107.03776	0.5
108.08195	6.9
113.02454	0.6
116.92838	0.6
121.05338	7.6
122.02522	0.6
122.06116	1.7
123.03246	0.8
124.04034	2.2
134.03745	2.1
134.06107	1.7
135.03250	1.2
136.04169	2.5
136.07683	100.0
137.08032	3.2
141.01726	0.7
149.04633	0.6
149.06067	1.1
150.01964	0.7
150.03223	0.5
150.05673	0.9
150.06876	1.9
151.07219	0.5
152.03529	1.5
152.07178	0.7
153.04335	4.7
161.04651	0.5
162.03265	0.5
165.05568	1.6
168.06671	0.8
171.10269	1.3
177.05652	0.6
178.91156	0.5
179.10704	0.9
180.32021	0.4
183.13931	0.7
197.07259	0.5
199.13470	1.4
209.11827	7.6
211.13385	12.9
227.12877	4.9
235.08426	1.1
237.10394	0.5
248.09703	0.7
249.14954	0.9
251.11891	0.5
253.09338	1.6
263.08224	1.1
264.09009	0.5
265.09726	0.9
275.08301	1.1
276.09079	0.7
277.09787	2.5
279.11432	0.5
289.09656	0.7
291.11380	0.5
305.09280	0.7
314.24313	0.5
328.10950	0.7
330.12549	0.6
342.08841	0.9
342.12604	1.0
343.09909	0.5
354.08841	0.9
354.12897	0.7
355.14154	0.5
356.10312	1.6
356.14380	0.6
357.11053	0.9
358.11880	1.4
368.10309	1.0
370.11954	2.1
371.08713	0.9
371.12875	0.9
372.13531	2.5
374.15201	0.9
382.11810	0.7
383.12741	0.6
384.09396	0.9
384.13568	1.4
385.14395	0.8
386.10733	3.0
386.15680	3.5
387.15820	0.5
389.13681	0.6
396.13602	0.8
398.11362	1.7
399.11740	1.0
400.13065	1.8
401.13644	1.6
402.14499	2.9
403.25055	0.6
404.16071	3.4
411.12045	0.6
412.12656	0.6
414.14587	4.3
415.15137	0.7
417.13327	3.5
426.14490	1.6
430.13904	2.6
431.14789	0.9
432.15668	17.5
433.15793	1.8
444.15552	7.8
445.16162	1.5
446.17249	1.3
463.22522	0.6
464.18158	3.1
465.18192	0.6
494.35419	1.0
507.20328	1.1
521.22253	0.6
522.22845	0.7
535.20367	0.5
538.22070	1.7
539.23315	1.3
540.23840	1.0
548.20313	0.7
551.23096	0.7
553.24713	5.2
554.25067	0.9
563.22919	1.3
566.21600	0.9
581.24017	45.2
582.24414	8.2
597.33093	1.4
609.24707	0.6
613.26617	31.4
614.26898	4.6
621.32379	0.8
625.23004	39.6
626.23419	5.7
627.25867	2.4
628.25885	0.7
639.34015	0.7
656.41174	3.0
657.25665	37.1
657.40149	1.9
658.26355	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	657.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43582	0.3
57.03445	0.6
59.01374	0.7
61.98830	2.9
65.07611	0.3
69.21086	1.3
69.21513	1.3
71.01387	0.6
81.03477	0.3
85.02961	0.6
95.58142	0.3
98.20676	0.6
103.00359	0.5
107.05061	0.4
109.06572	0.8
111.04488	1.1
113.02458	0.4
116.92907	0.4
121.06587	3.0
122.03725	0.7
122.06903	0.3
123.08153	0.8
135.04520	1.1
135.08139	0.4
136.05296	40.2
136.93495	0.3
137.05713	1.1
138.03223	0.3
138.06859	0.4
147.08154	1.6
148.05283	0.9
149.06068	5.9
149.07848	0.4
150.06868	5.2
151.07466	0.4
161.33687	0.3
162.06874	1.6
163.07648	1.5
164.04861	0.8
164.07256	0.3
164.08403	1.8
165.09200	46.2
166.09538	1.8
168.90596	0.3
169.12367	0.5
172.82831	0.3
185.11880	1.2
196.24664	0.3
208.51321	0.3
209.11827	1.5
211.13393	1.4
212.85297	0.3
215.12868	0.8
257.12970	0.4
279.11340	0.4
311.22241	1.1
316.01047	0.3
327.21698	1.0
327.25287	0.5
329.23309	28.9
330.23785	2.6
459.31500	0.7
477.32187	9.5
478.32544	1.2
480.30624	0.5
494.32465	3.0
495.33197	34.1
496.33633	3.4
509.34772	1.3
537.34125	0.8
581.23578	0.4
598.82379	0.3
657.38531	100.0
658.38861	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	657.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
59.01381	3.0
61.98825	5.4
68.97096	0.3
69.03439	0.4
69.25253	0.4
70.89790	1.0
71.01388	2.1
71.05015	0.4
73.02935	1.1
78.84644	0.3
83.01382	0.4
85.02946	1.2
87.36169	0.4
88.98811	1.2
89.02439	0.6
93.01665	0.3
93.61224	0.4
95.05022	0.6
96.17538	0.3
96.96001	2.4
99.04499	1.2
99.92596	0.5
101.02447	1.1
103.00369	1.2
106.04259	0.4
107.05035	0.6
109.33690	0.3
111.04500	0.9
113.02444	1.1
116.92876	1.9
121.06593	2.9
122.03687	1.1
123.04473	0.5
125.02416	0.6
127.11314	0.6
134.03705	0.5
135.04538	2.4
136.05296	46.2
137.02406	0.4
137.05655	1.2
137.09708	0.7
142.83163	0.4
147.08134	1.3
148.05269	1.0
149.06073	10.0
149.07268	0.6
150.06834	5.5
162.06856	2.9
163.07637	2.5
164.04843	0.6
164.08414	4.0
165.09196	40.4
166.09544	1.7
171.10233	0.7
184.53046	0.5
209.11792	1.6
211.13341	1.4
257.13074	0.5
271.74197	0.4
285.04141	0.4
297.24277	0.8
299.22235	10.2
300.22446	0.5
311.22211	3.3
329.23315	1.9
351.21634	1.7
400.29697	0.4
412.42188	0.4
418.30893	1.3
421.29504	1.4
422.30023	0.4
432.32516	0.7
433.33136	4.6
434.33691	0.5
447.31116	5.5
459.31180	2.9
464.31223	0.7
465.32202	10.8
466.32611	1.3
476.31473	1.2
477.32172	12.3
478.32568	1.7
479.33502	0.5
489.32135	0.8
494.32126	1.9
495.32916	9.3
496.33966	1.0
519.33209	1.3
627.37805	0.5
639.37451	1.3
657.38550	100.0
658.38849	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	63.6
60.01705	0.4
61.98830	1.3
63.40247	0.3
90.97124	0.9
118.96647	0.6
132.98216	1.6
150.94769	0.4
157.03561	1.4
159.01546	0.6
170.97725	0.3
174.99242	22.9
192.03708	0.3
192.95879	3.5
199.56741	0.3
201.02550	16.5
202.02689	1.1
217.00285	100.0
218.00659	2.7
343.03873	2.0
359.01456	34.6
360.01563	3.5
374.99194	50.5
375.99530	1.9
468.31100	0.3
501.02493	0.3
517.00446	10.8
518.00256	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98526	0.2
70.88844	0.2
84.48846	0.1
89.97456	0.1
92.28768	0.1
192.78592	0.1
288.16083	0.3
289.16418	0.3
290.16730	0.2
373.28821	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	659.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.0
61.98819	5.1
71.01382	1.9
72.42727	1.2
80.05061	10.6
88.98793	2.6
89.91890	1.0
94.02956	2.6
98.21874	1.0
101.02482	1.7
104.05096	3.4
106.06636	2.0
108.04559	2.8
108.08190	4.1
109.05640	1.1
119.03501	1.0
119.05022	4.5
120.04570	1.7
120.08154	2.8
121.05325	5.3
122.06123	4.9
124.04043	2.4
132.04582	2.9
134.06146	2.7
136.04071	5.5
136.07684	63.2
137.04829	2.7
137.08037	2.0
138.05620	3.9
147.05606	3.0
148.04021	2.1
150.05598	8.6
151.00395	5.7
153.04317	1.9
160.04045	1.8
174.05598	4.8
175.05177	2.9
177.83589	1.1
186.12912	1.4
190.05087	2.2
201.10344	14.1
209.11836	1.5
211.08719	1.2
213.10320	7.6
223.08798	1.6
224.09654	1.6
227.11888	4.9
229.09875	17.5
229.13405	15.2
230.13860	1.1
237.10295	1.8
239.11897	9.1
241.09853	2.0
245.12895	1.4
247.10928	2.8
255.11453	6.7
257.12964	5.8
265.09927	1.1
267.11362	2.1
271.06134	7.7
272.40558	1.1
273.12427	5.5
274.12881	1.1
279.11459	2.9
281.13010	1.6
289.11859	5.3
295.10696	1.4
297.12341	7.5
301.11942	17.2
307.10812	3.4
309.12415	3.9
319.12982	79.4
320.13272	5.7
327.13654	4.3
332.14078	1.7
335.22226	1.4
339.13501	4.0
344.14136	1.6
358.11917	1.8
359.12802	1.7
360.13348	1.8
372.13474	2.0
373.14114	1.7
374.15109	8.5
375.15320	1.6
386.15411	1.4
387.16333	1.5
391.15302	3.7
392.16092	9.8
400.12396	1.4
403.14932	2.1
404.16013	1.2
416.16016	4.9
418.13812	1.8
425.23849	1.3
434.17206	4.3
446.17273	2.2
462.36444	1.2
515.26630	3.0
523.23193	1.9
539.26282	1.1
541.24591	20.2
542.25067	3.8
559.24872	1.6
565.24585	7.0
567.22473	2.2
583.25568	70.9
584.25739	10.7
585.23578	2.3
586.24481	3.3
609.23547	2.4
616.30072	1.3
627.24579	100.0
628.24835	19.9
659.26501	28.3
660.27185	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	659.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.0
61.98819	5.1
71.01382	1.9
72.42727	1.2
80.05061	10.6
88.98793	2.6
89.91890	1.0
94.02956	2.6
98.21874	1.0
101.02482	1.7
104.05096	3.4
106.06636	2.0
108.04559	2.8
108.08190	4.1
109.05640	1.1
119.03501	1.0
119.05022	4.5
120.04570	1.7
120.08154	2.8
121.05325	5.3
122.06123	4.9
124.04043	2.4
132.04582	2.9
134.06146	2.7
136.04071	5.5
136.07684	63.2
137.04829	2.7
137.08037	2.0
138.05620	3.9
147.05606	3.0
148.04021	2.1
150.05598	8.6
151.00395	5.7
153.04317	1.9
160.04045	1.8
174.05598	4.8
175.05177	2.9
177.83589	1.1
186.12912	1.4
190.05087	2.2
201.10344	14.1
209.11836	1.5
211.08719	1.2
213.10320	7.6
223.08798	1.6
224.09654	1.6
227.11888	4.9
229.09875	17.5
229.13405	15.2
230.13860	1.1
237.10295	1.8
239.11897	9.1
241.09853	2.0
245.12895	1.4
247.10928	2.8
255.11453	6.7
257.12964	5.8
265.09927	1.1
267.11362	2.1
271.06134	7.7
272.40558	1.1
273.12427	5.5
274.12881	1.1
279.11459	2.9
281.13010	1.6
289.11859	5.3
295.10696	1.4
297.12341	7.5
301.11942	17.2
307.10812	3.4
309.12415	3.9
319.12982	79.4
320.13272	5.7
327.13654	4.3
332.14078	1.7
335.22226	1.4
339.13501	4.0
344.14136	1.6
358.11917	1.8
359.12802	1.7
360.13348	1.8
372.13474	2.0
373.14114	1.7
374.15109	8.5
375.15320	1.6
386.15411	1.4
387.16333	1.5
391.15302	3.7
392.16092	9.8
400.12396	1.4
403.14932	2.1
404.16013	1.2
416.16016	4.9
418.13812	1.8
425.23849	1.3
434.17206	4.3
446.17273	2.2
462.36444	1.2
515.26630	3.0
523.23193	1.9
539.26282	1.1
541.24591	20.2
542.25067	3.8
559.24872	1.6
565.24585	7.0
567.22473	2.2
583.25568	70.9
584.25739	10.7
585.23578	2.3
586.24481	3.3
609.23547	2.4
616.30072	1.3
627.24579	100.0
628.24835	19.9
659.26501	28.3
660.27185	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	660.288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03164	0.8
57.03447	28.8
59.01379	32.8
61.98829	100.0
71.01378	11.0
71.51987	1.0
72.99284	0.9
73.02943	5.8
81.03454	1.3
83.01376	3.4
85.02937	2.3
89.02436	5.7
89.20876	0.8
96.96021	2.2
99.04517	41.7
99.92575	2.3
100.04843	0.8
101.02442	16.2
103.00351	2.1
113.02454	4.6
116.92857	10.7
119.03490	4.0
119.04986	1.0
122.06093	1.0
123.04529	3.1
125.02443	20.3
131.03537	1.6
134.03719	2.5
134.06111	1.1
136.07651	3.0
143.03465	3.4
149.04501	1.7
149.06056	1.9
161.04610	4.7
161.05659	1.1
163.04018	1.2
171.10341	0.9
177.01942	0.9
179.05592	1.9
206.21272	0.7
209.11647	0.9
221.06638	2.1
235.98351	0.8
243.12323	0.8
252.84406	0.7
261.09851	0.9
261.18570	2.4
273.81467	0.8
277.18207	0.8
279.11578	1.0
300.21271	0.9
303.13303	0.8
304.13821	1.0
333.98953	0.9
405.22592	1.6
423.23648	2.7
435.24078	4.9
453.25021	2.7
454.25107	0.9
478.57138	0.8
495.25946	5.9
535.28583	1.6
553.29980	1.0
584.25952	1.0
597.29187	28.0
598.29376	3.8
628.24701	3.0
660.22510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25380	0.5
55.40449	0.5
59.01375	1.2
61.98834	2.0
69.60078	3.1
80.05051	3.1
82.02997	2.3
83.62312	0.5
94.02984	32.2
95.03323	0.9
96.04559	2.0
104.05070	1.0
105.05846	0.8
106.06631	1.1
108.04567	0.8
108.08189	6.2
108.08813	0.7
116.92917	0.8
120.08192	22.9
121.05313	4.7
121.08517	0.8
122.06122	1.7
124.04017	0.6
130.06668	0.6
132.04556	2.6
134.06142	2.5
136.04062	1.8
136.07686	100.0
137.08023	2.4
138.05615	14.5
146.06100	0.5
148.04062	1.0
150.05606	0.9
152.03534	0.5
152.07205	0.9
153.04326	2.2
158.02542	1.1
160.04080	1.4
162.05644	1.1
164.07198	2.2
174.05614	1.0
176.03537	0.5
187.08769	0.6
190.05084	3.3
211.12390	1.5
215.11920	0.8
221.10860	1.2
223.08791	6.9
224.09494	2.5
225.10289	1.9
229.13455	4.3
233.10902	0.7
235.12372	2.0
236.09518	1.7
237.10339	7.0
238.11032	4.3
238.17827	0.6
239.11877	6.8
240.12378	0.5
241.13396	0.6
249.06610	0.9
249.10342	1.6
250.07289	0.6
250.11070	0.9
251.08246	2.2
251.11945	4.9
252.08829	0.5
252.12428	1.1
253.13503	1.7
259.10980	0.6
262.07486	0.7
263.08243	4.4
263.11801	0.9
264.09033	6.9
265.09787	4.2
265.13428	0.6
266.10446	0.8
267.11322	1.1
271.10873	1.4
276.08890	1.2
277.09631	2.5
278.10550	3.1
279.11368	24.8
280.12039	3.4
281.12869	2.9
283.10931	1.2
291.11395	7.3
292.12042	3.2
293.12949	1.6
296.08279	0.7
297.12384	2.3
303.13614	0.8
305.09473	0.7
307.10907	2.9
309.12491	2.5
311.13870	0.8
322.09381	1.0
323.10410	2.4
324.10974	2.1
334.15738	0.7
337.14862	0.6
339.13455	2.1
355.12997	0.6
356.13861	1.2
358.15500	0.8
360.21091	1.1
372.17126	2.1
373.17599	0.9
376.16699	1.4
386.14206	0.8
386.18805	8.5
387.19531	2.6
388.20206	1.5
398.14822	0.7
399.19598	0.8
400.16214	1.1
400.20700	1.3
401.21036	3.1
402.21979	0.6
411.19614	0.7
412.16580	0.8
413.17319	0.9
418.17709	1.7
426.18192	1.4
427.19077	3.2
428.19760	9.5
429.20294	3.0
430.17783	1.0
432.19186	5.6
433.20074	1.2
444.19238	0.9
445.20361	3.5
446.20926	4.3
447.21228	0.7
454.17725	0.9
455.18448	3.5
460.18372	0.8
472.18729	12.5
473.19482	13.2
474.19867	1.7
492.21378	0.8
504.21384	19.4
505.21732	2.8
525.24713	2.5
567.26001	7.5
568.26263	1.3
569.24103	6.7
570.24933	0.8
585.27124	7.5
586.27588	1.7
593.23877	0.6
601.26501	5.4
602.27081	0.6
611.25067	19.5
612.25122	2.9
629.26141	93.8
630.26465	16.3
643.27582	8.5
644.27667	1.0
661.28790	27.2
662.28943	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.6
59.01370	5.2
61.98833	8.8
66.13892	0.6
66.55886	0.7
67.23273	0.7
71.01379	2.2
73.02940	0.8
74.03178	0.6
80.05054	1.5
82.03000	2.3
87.00873	0.8
89.02451	1.1
94.02979	24.7
94.06667	0.6
96.04558	1.2
96.96011	1.3
99.04539	0.9
99.92614	1.1
101.02473	1.3
104.04995	0.8
106.06651	0.7
108.08193	4.4
110.06094	0.8
113.02442	1.7
113.71573	0.7
116.92854	7.1
120.08199	9.1
121.05335	3.7
122.06112	1.2
125.02444	0.7
127.03988	1.0
132.04550	1.7
134.06082	1.3
136.07678	100.0
137.08029	3.0
138.05608	12.9
147.03223	0.7
152.07181	1.6
153.04288	1.7
158.22510	0.7
160.04030	1.1
162.05638	1.0
164.07216	1.1
166.09520	0.8
174.05586	1.4
190.05139	1.4
223.08752	12.0
224.09512	2.8
225.10320	2.2
229.13377	2.1
235.08813	0.8
235.12431	1.2
236.09528	1.6
237.10320	7.7
238.11108	7.4
239.11859	11.5
240.12180	1.2
243.12309	1.1
249.06664	0.8
249.10205	0.7
251.08337	2.3
251.11855	5.0
253.09589	0.8
255.97023	0.8
263.08191	2.9
263.11868	0.8
264.09067	3.7
265.09818	3.2
266.10577	0.7
267.11325	1.1
271.10828	4.1
276.09006	1.1
277.09903	2.1
278.10574	2.7
279.11386	19.5
280.11945	2.6
281.12955	2.2
283.10855	2.5
291.08481	0.8
291.11398	4.1
292.12161	1.9
293.13034	1.1
295.11176	0.8
297.12521	1.7
307.11084	1.5
309.12390	2.2
322.09808	1.1
323.10242	1.7
324.11023	1.4
334.15765	1.8
355.12924	1.9
356.13745	1.2
360.07278	0.8
372.17072	1.6
373.17422	1.2
376.16611	1.1
384.20963	1.0
386.18695	18.4
387.19534	4.1
388.20374	4.1
400.16046	1.2
400.20370	2.0
418.17935	1.1
427.18808	1.6
428.19778	11.7
429.20413	1.7
430.17688	1.2
431.18701	0.7
432.13376	1.2
432.19275	20.4
433.19467	2.6
444.19382	1.3
445.20047	1.6
446.20502	0.9
455.18433	1.8
460.22806	1.2
472.18863	8.1
473.19495	6.5
474.19843	2.0
483.24222	0.9
492.21573	2.5
499.28247	0.8
504.21402	20.7
505.21808	2.3
525.25146	2.9
543.25885	1.7
559.30713	0.9
562.71869	0.7
567.26385	3.2
569.24097	3.0
585.26862	2.0
599.28528	0.9
601.26672	10.7
602.26770	1.3
611.25049	8.0
612.25616	2.0
629.26147	20.3
630.26361	2.8
643.27637	15.1
644.28052	2.7
660.39575	1.5
661.28662	51.0
662.29224	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	661.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.7
59.01382	20.0
61.98811	0.7
69.03438	0.4
71.01379	2.2
71.52213	0.7
73.02946	1.6
74.02477	1.3
80.98191	0.5
83.01343	0.5
85.02946	1.2
87.00864	0.6
89.02445	1.5
98.02499	0.7
98.47598	0.5
99.04541	1.2
101.02428	1.7
103.00354	1.2
113.02448	0.9
116.03563	0.8
116.05061	0.8
122.06134	1.0
125.02452	0.8
128.03542	2.3
131.03717	0.8
132.04550	1.8
137.09705	0.6
139.11292	18.4
139.55727	0.5
140.11577	0.8
152.07158	2.4
158.02489	0.8
158.06149	0.8
163.11288	0.8
165.09091	0.7
172.87791	0.5
177.03860	0.6
181.12346	10.4
183.10258	22.6
184.10602	1.4
190.05121	2.2
199.13383	1.9
217.14575	0.5
225.11328	6.3
243.12361	100.0
244.12698	5.7
261.08832	0.9
292.60361	0.5
295.10678	0.9
339.09848	0.6
355.13181	2.7
499.29147	1.5
517.30029	1.5
585.19922	1.3
586.20349	0.7
617.22455	5.0
618.22894	1.2
661.34381	2.3
662.26984	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	662.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62545	0.3
55.01871	0.5
56.14423	0.3
56.48245	0.4
57.03434	1.0
58.00591	1.2
59.01379	37.8
60.01698	0.7
66.03482	0.7
67.01896	3.1
69.03455	0.6
69.31484	2.6
71.01009	0.7
71.01382	9.1
72.99306	1.1
73.02949	4.9
76.16690	0.3
83.01387	4.8
83.05028	0.5
85.02943	2.2
87.04526	1.2
89.02437	4.9
94.02985	42.9
95.01397	0.8
95.03330	1.3
95.05018	0.4
97.02953	0.9
97.06595	0.4
101.02441	5.7
108.04565	1.2
109.02949	0.5
109.06645	0.4
109.50613	0.3
112.04079	0.4
113.02458	2.2
118.03018	0.4
119.03476	1.5
122.19125	0.3
124.04051	0.9
127.04004	1.3
137.06093	0.5
139.07668	0.4
139.11288	10.3
143.03481	0.5
151.07628	0.4
151.11293	0.8
154.05174	0.5
163.11296	0.7
165.09196	1.3
166.05176	0.5
167.10713	0.6
169.12373	2.3
179.05612	0.5
179.10779	1.5
181.12363	4.8
183.10263	12.2
184.10530	0.4
195.13866	0.6
197.11769	1.6
197.15457	2.4
198.15691	1.8
199.13268	0.6
199.15979	0.7
225.11313	10.5
225.14708	1.8
226.11679	0.6
226.15314	1.8
227.15491	1.4
243.12341	8.4
243.16003	11.0
244.16331	11.0
245.16551	6.9
246.16847	2.5
249.11258	0.8
256.08261	1.2
267.12369	1.2
285.13364	1.4
285.17032	5.6
286.14343	0.7
286.17380	5.9
287.17624	4.2
288.18027	2.3
291.12445	0.8
309.13391	0.4
327.14496	2.0
387.16559	8.9
388.16666	0.6
421.92484	0.3
464.19269	1.2
482.20279	100.0
483.20609	11.0
483.27686	0.4
570.93970	0.4
662.26617	18.4
663.26898	2.7
665.30554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37271	1.2
57.03449	48.2
58.03799	1.0
58.46548	1.1
59.01380	61.9
61.86879	1.0
61.98830	100.0
69.82970	3.4
69.83385	1.7
71.01382	21.8
73.02943	7.3
80.39295	1.1
81.03454	1.7
83.01394	3.7
85.02961	5.2
89.02448	16.2
96.96003	1.0
99.04516	57.5
100.04892	1.1
101.02438	23.3
103.00389	1.1
113.02453	10.5
116.92880	1.9
119.03513	6.4
123.04469	1.2
125.02448	28.6
131.03531	1.2
136.07687	2.4
143.03519	5.8
153.86325	1.0
160.06017	1.0
161.04576	5.1
171.10246	1.1
179.05592	6.8
181.57570	1.1
339.04492	1.1
407.24396	1.3
425.25372	1.5
430.77142	1.1
437.25406	10.9
455.26450	32.1
456.26727	3.1
497.27795	12.8
498.27551	1.7
519.31689	1.5
537.30621	3.2
599.30701	60.6
600.31079	7.3
663.36316	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	664.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67186	0.3
59.01382	0.9
61.98829	100.0
65.00333	0.9
71.08578	0.5
71.08924	0.4
82.34242	0.3
83.01428	0.4
88.98846	0.5
99.92588	0.5
100.06942	0.4
107.01399	1.3
116.92854	3.7
121.02972	0.5
125.02462	1.1
133.02937	0.5
134.03751	0.4
135.04535	7.6
147.04515	0.8
149.06067	0.7
151.00372	7.0
161.02412	1.9
165.05612	0.7
165.75574	0.3
172.26263	0.4
177.02083	0.5
199.04034	0.4
285.03952	0.8
286.04974	0.5
287.05643	1.6
475.13971	0.6
548.02032	0.4
601.17126	10.7
602.18097	1.7
635.76379	0.4
640.84644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74277	0.4
58.00601	0.9
59.01380	14.0
64.06127	0.4
71.01373	3.2
72.99302	0.7
73.02943	0.6
75.00877	0.7
85.02961	1.0
87.00877	1.6
89.02439	1.5
93.03446	0.9
96.95995	1.1
101.02482	0.6
103.00372	100.0
104.00718	1.8
115.00381	2.5
116.92890	0.4
117.03468	2.9
119.05022	15.3
120.05347	0.8
121.02976	1.5
127.00382	0.7
131.05084	0.6
132.05794	0.7
133.06567	1.5
135.04477	0.4
143.05038	0.6
145.02954	21.1
146.03294	1.0
147.04562	0.4
159.04494	1.6
161.06056	9.7
162.06383	0.6
163.04013	10.7
164.04388	0.5
173.06085	0.5
175.02510	2.6
177.05547	1.4
187.04002	12.4
188.04366	0.5
191.07130	4.2
193.03510	14.3
193.05254	0.7
205.05057	2.0
217.04970	0.7
235.06096	30.7
235.37776	0.4
236.06458	1.8
261.08820	1.4
287.67722	0.4
321.06082	1.5
339.07178	74.4
340.07446	5.8
471.27515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84830	1.1
59.01380	20.1
71.01377	4.3
71.01733	0.9
85.02976	1.4
85.23383	0.8
87.00866	3.8
89.02442	1.3
93.03442	2.8
98.20673	2.8
102.84035	1.0
103.00372	100.0
104.00702	1.2
115.00384	9.9
117.03423	2.6
119.05034	32.4
120.05311	1.7
121.02950	1.8
133.01418	2.4
133.06577	2.9
145.02957	20.5
145.06543	1.1
147.04520	1.5
159.04460	1.5
160.21107	1.1
161.06087	15.2
163.04007	31.8
164.04338	1.0
175.02477	13.6
177.05576	5.9
187.04012	13.1
191.07132	7.1
193.03546	9.9
198.08054	1.3
205.05099	6.2
217.05170	1.5
235.06114	44.2
236.06444	3.3
249.03940	1.4
265.07040	1.4
277.07187	1.3
339.07202	59.6
340.07733	6.3
369.08316	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	665.245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08503	0.3
59.01373	0.9
71.01379	15.9
72.99301	1.0
80.03757	0.3
87.00905	0.4
89.02431	1.7
93.03439	0.6
99.88676	0.4
101.02470	0.3
103.00378	0.5
115.00372	17.3
116.00740	0.5
116.92832	0.4
119.05024	45.2
120.05322	1.5
127.15744	0.3
132.55164	0.3
133.01427	45.3
134.01764	0.5
149.04547	0.8
163.04002	100.0
164.04338	3.7
261.77417	0.3
279.05115	7.9
280.05396	0.3
371.09598	0.3
390.92688	0.3
465.49487	0.4
574.52728	0.4
665.28058	0.5
679.50037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2612
Annotation	CHEBI:69781
Peak:m/z	Relative Intensity
50.83012	0.8
52.15218	0.8
54.66989	0.8
55.61115	0.8
57.03429	3.7
58.02960	1.5
59.01381	6.6
61.98810	1.1
67.03008	0.9
70.02972	12.0
71.01357	3.6
71.02495	0.9
71.52620	1.5
72.00909	1.5
72.55784	0.8
77.32590	0.8
77.33040	0.8
83.01399	0.9
85.02950	1.0
85.04076	1.2
89.02443	4.5
95.02509	2.1
96.00912	100.0
97.01191	1.6
98.02472	12.1
99.00813	1.0
99.04503	1.7
99.05638	9.4
101.02421	3.2
103.00343	2.3
111.01299	1.0
111.02013	18.0
113.02438	1.3
113.02798	1.1
113.03561	11.0
113.07146	1.2
113.65926	0.9
114.01971	28.5
115.08750	2.5
119.04996	1.7
124.03969	2.3
125.02378	2.0
125.03544	0.9
125.07188	1.1
131.03714	0.8
131.04611	18.0
133.36021	0.8
141.06696	9.4
147.05933	2.3
149.04515	1.7
163.58772	0.9
167.55025	0.9
170.09285	1.6
189.07030	11.4
200.07056	2.5
202.12332	1.2
212.10362	1.5
217.34045	0.8
227.11780	1.5
230.11243	0.9
234.04056	1.0
243.12373	1.6
245.12918	12.7
255.15147	1.0
257.25943	0.8
262.15384	1.9
286.08606	1.7
304.09698	2.1
342.14627	6.2
377.18307	1.4
439.16199	7.4
457.17307	31.0
458.17337	2.8
475.18054	2.2
521.26355	6.2
522.25970	1.3
532.22034	3.6
533.20618	1.3
550.23016	1.1
561.28607	1.4
580.27051	0.9
629.23340	1.8
647.25012	69.3
648.24908	14.6
649.22473	1.2
665.25977	45.2
666.26733	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	667.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
58.00580	0.7
59.01379	9.3
61.98831	4.4
71.01381	13.2
71.01781	0.7
72.99293	0.5
73.02946	5.4
83.01384	6.9
85.02949	1.2
87.00916	0.6
87.04527	1.0
88.98806	1.1
89.02409	2.4
93.03466	1.1
96.95979	0.7
97.02946	0.5
99.00880	0.7
101.02441	5.5
103.00353	1.6
109.06582	0.5
113.02457	1.9
115.00362	8.5
116.92858	4.4
117.03513	0.5
119.05024	100.0
120.05325	3.6
122.06135	0.6
129.57521	0.4
139.07695	0.4
139.11288	5.8
143.03563	0.5
151.11182	0.6
155.10759	0.6
161.04599	0.5
163.04004	51.9
164.04329	2.1
165.09227	0.6
166.05080	0.5
167.10715	0.5
169.12369	2.1
179.10747	1.7
181.12312	3.1
183.10248	8.3
197.11816	2.0
219.51646	0.4
225.11298	9.3
225.13326	0.9
231.10286	0.5
239.12952	0.8
243.12343	6.8
249.11215	1.1
267.12341	1.2
285.13379	1.0
291.12289	0.9
327.14410	1.6
330.74426	0.5
387.16495	8.0
388.16913	0.6
459.13251	0.5
503.32965	0.5
522.43512	0.4
533.20276	0.6
551.21295	77.2
552.21600	10.4
563.29962	1.0
635.20636	0.8
666.37201	0.7
667.21368	1.0
667.39325	5.6
668.20868	0.5
697.48846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	10.2
61.98817	1.3
71.01380	15.6
72.99308	2.9
73.02950	0.6
79.47701	0.6
83.01360	0.9
85.02941	3.0
85.06595	0.9
87.00894	0.8
88.58595	0.5
89.02454	4.2
93.03458	0.7
96.95979	0.6
101.02441	3.0
103.00353	0.9
106.06614	1.7
108.08203	0.8
113.02402	1.5
114.99564	1.4
115.00374	26.2
116.00703	1.0
116.92871	0.9
117.03457	0.8
119.03586	1.0
119.05030	22.1
120.05351	1.2
122.06133	7.1
129.10361	0.8
131.07140	4.8
133.01430	100.0
134.01772	2.6
134.03761	5.8
134.06149	5.7
136.07678	11.1
137.07965	0.8
146.06041	1.1
149.04822	1.2
149.06078	1.1
150.05635	1.0
161.04831	1.3
162.05577	0.9
163.04008	32.1
164.04454	1.7
164.07161	21.0
165.07480	0.8
173.08211	2.0
178.08659	0.9
184.06044	0.9
191.08234	3.4
193.03642	0.9
193.05063	8.2
201.06581	1.4
202.08739	2.8
203.08267	1.4
205.09805	1.5
206.08205	3.2
208.56577	0.7
209.04596	1.4
215.08388	0.8
230.08238	0.9
233.09288	11.4
239.05678	1.0
239.08177	1.0
246.07678	13.0
251.10400	10.9
267.11557	0.7
268.12064	1.5
271.02475	2.4
271.10986	1.1
277.15533	2.0
278.15747	1.0
279.05096	5.3
299.02014	2.5
300.02835	1.3
301.03500	1.5
301.11954	1.9
309.16251	1.1
319.12997	0.8
327.17007	1.0
353.15015	5.4
361.84964	0.6
371.16461	1.1
397.14035	6.7
398.14365	0.7
401.08289	0.7
415.15274	5.2
419.97946	0.8
438.16849	1.6
480.17761	3.3
498.18796	12.4
499.19312	1.6
505.10019	1.8
589.22736	0.9
607.24597	1.3
631.24377	2.0
649.24915	6.0
650.26001	1.1
667.15228	1.6
667.26453	9.1
667.32257	7.2
668.31409	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70333	0.5
57.03424	0.8
59.01380	58.0
61.98806	0.9
68.74541	0.7
71.01368	0.9
71.51148	0.9
75.60442	0.5
85.02946	2.0
85.06593	1.6
89.02459	1.0
101.06089	2.1
103.00372	10.3
113.06079	7.1
113.09718	3.6
128.48018	0.6
129.05591	5.8
129.09235	1.1
131.07141	4.4
139.11270	3.2
155.10791	4.2
157.08705	2.7
175.09752	100.0
176.10081	4.3
181.12352	2.0
183.10257	4.3
199.09749	2.9
217.10803	22.0
218.11151	1.1
219.10281	1.7
225.11328	1.5
243.12369	26.7
244.12657	1.7
261.09756	1.1
361.15262	0.8
405.17679	10.1
406.18130	0.9
505.19421	1.2
531.01440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58786	0.5
55.01866	1.7
57.03444	3.1
58.00586	1.6
59.01380	30.6
61.98833	6.8
69.03450	0.5
69.39211	1.2
69.39626	2.2
71.01381	31.7
72.01748	0.6
72.99305	2.7
73.02949	6.3
75.00899	0.8
83.01391	3.5
85.02950	11.7
85.03471	0.6
87.00876	2.2
88.98790	0.6
89.02447	17.4
95.01384	2.5
96.96021	2.5
97.02972	0.5
98.19918	1.0
99.00874	2.6
99.92590	0.8
101.02443	19.5
103.00376	1.4
107.60585	0.4
111.00877	1.5
113.02448	11.8
115.92060	1.0
116.92868	5.8
117.92921	0.6
119.03501	6.2
119.05036	1.1
121.03014	0.5
125.02444	0.8
129.01944	0.6
131.03496	1.0
133.05078	0.6
133.60733	0.4
135.04475	0.5
137.02502	0.4
143.03488	1.0
149.04535	0.4
151.00494	0.5
159.02982	1.3
161.04585	3.1
163.03984	0.7
165.01924	0.5
179.05618	2.0
266.01987	0.4
487.32684	1.5
505.33731	8.7
506.34076	1.5
519.31549	0.6
523.34546	0.7
667.39099	100.0
668.39386	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	669.3857
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03456	0.5
59.01383	3.3
59.94749	0.4
61.98832	3.1
67.37176	0.4
68.53448	0.3
69.61705	1.7
69.62113	0.7
71.01385	1.6
73.02971	0.3
85.02958	1.0
87.00870	0.3
88.98838	0.3
89.02406	0.4
90.48674	0.3
96.96025	0.9
97.06553	0.5
99.04539	0.4
99.94901	0.4
101.02441	1.0
113.02431	1.0
115.92061	1.0
116.41025	0.4
116.92857	1.7
121.53329	0.4
123.08150	0.6
125.02550	0.3
135.08199	1.2
136.05330	0.4
137.87201	0.4
139.11293	0.7
149.06061	1.9
150.06862	46.0
151.07167	1.9
157.12376	0.6
161.09747	0.9
162.06882	1.0
163.07646	6.8
164.08421	14.1
165.08774	0.3
171.10286	0.8
176.08476	0.5
178.09958	1.7
179.10771	26.9
180.11125	1.4
185.11842	4.7
197.61163	0.4
207.10237	0.4
214.12109	0.9
224.99043	0.4
258.34378	0.4
291.19666	0.9
306.18304	0.5
309.20752	0.8
325.23694	0.5
327.21741	19.8
328.22055	1.7
448.29861	0.4
476.39526	0.4
489.32199	6.3
490.32504	0.7
492.30612	1.2
506.32462	4.6
507.33243	32.0
507.93478	0.4
508.33810	4.8
521.34772	1.0
549.20844	0.4
549.34448	1.4
627.33972	0.5
669.38525	100.0
670.38794	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73914	0.5
52.26001	0.5
54.99149	0.5
55.06109	0.5
57.03430	0.6
58.00581	0.7
59.01378	15.5
61.98831	8.5
62.55939	0.4
71.01381	8.0
72.99321	1.0
73.02947	3.0
75.00856	1.0
79.05541	0.9
83.01389	0.6
85.02956	4.0
87.00900	0.7
89.02431	2.7
93.03474	0.7
94.25404	0.4
95.01396	0.9
95.05027	0.6
96.96010	0.5
97.02957	0.6
99.00896	0.9
99.04507	1.1
101.02452	3.9
103.00372	100.0
104.00724	1.9
113.02451	3.1
116.70840	0.5
116.92849	2.0
119.03539	0.5
119.05036	0.6
120.67776	0.4
121.02894	0.8
125.02442	0.6
135.08170	1.2
136.07677	0.8
137.02428	0.7
141.09871	0.4
149.06058	0.5
150.06808	0.5
165.01958	1.5
171.10287	0.8
175.02461	0.8
207.10254	0.9
209.11826	2.1
225.11314	2.0
227.12898	0.9
285.03946	0.8
302.17429	0.7
477.24893	1.8
491.29990	0.7
495.25815	8.6
496.26456	2.1
509.17169	0.5
537.26630	0.8
551.23065	0.5
611.33600	0.5
635.36304	0.7
653.32288	0.5
671.28760	15.3
672.29108	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	671.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63829	0.3
58.52060	0.3
59.01371	0.9
61.98838	2.5
69.58257	0.4
71.01010	0.8
71.01383	10.6
71.52388	0.6
72.99308	2.0
73.93153	0.3
89.02470	1.9
94.75854	0.4
101.02444	1.3
110.25334	0.4
113.46376	0.3
115.00377	27.9
116.00763	0.5
116.92850	0.5
119.05029	21.4
120.05373	0.8
133.01433	100.0
134.01796	2.4
135.04584	0.6
148.05315	0.9
163.04008	30.4
163.07623	0.8
164.04372	1.2
165.05583	0.6
167.07161	0.7
193.05084	0.7
206.08278	0.5
210.12477	0.4
233.73090	0.4
234.48689	0.4
255.03003	0.5
279.05145	5.9
283.02390	1.2
285.81284	0.4
329.14334	0.4
461.85422	0.4
609.14429	1.8
614.04614	0.5
671.28802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78460	0.3
51.02377	0.3
55.01878	1.9
57.03448	2.1
58.00598	2.5
59.01379	100.0
60.01704	0.9
61.98838	1.0
69.03465	1.1
70.26642	0.9
70.26997	0.5
71.01380	48.5
72.01727	0.7
72.99307	3.4
73.02946	6.8
75.00888	0.4
81.03468	0.4
81.25845	0.3
83.01382	4.9
84.02203	0.5
85.02948	17.7
86.00102	1.2
86.03266	0.4
87.00874	3.4
88.98790	0.3
89.02445	32.9
90.02774	0.4
95.01387	6.1
97.02934	1.9
98.20013	0.5
99.00880	2.9
99.92606	0.4
101.02441	27.0
101.43221	0.3
102.02769	0.5
111.00871	1.6
112.01698	1.0
113.02448	27.9
113.59193	0.3
114.02798	0.7
114.95723	0.3
115.04013	0.6
116.92855	1.6
119.03505	11.1
124.01665	2.3
125.02419	4.1
129.01939	0.6
131.03563	0.9
141.01920	0.3
142.02711	0.5
143.03511	4.7
149.04543	1.2
150.06851	0.3
161.04561	6.5
161.05891	0.5
167.78206	0.4
179.05595	3.0
209.11818	0.7
225.11374	1.2
227.12875	0.4
449.29059	1.3
467.29929	0.9
537.30444	0.9
547.32947	0.5
571.08929	0.4
575.32257	1.5
581.33862	0.5
611.34320	80.7
612.34656	13.6
629.35388	74.7
630.35760	12.4
630.44336	0.3
639.20044	0.4
671.36444	16.8
672.36798	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	671.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78460	0.3
51.02377	0.3
55.01878	1.9
57.03448	2.1
58.00598	2.5
59.01379	100.0
60.01704	0.9
61.98838	1.0
69.03465	1.1
70.26642	0.9
70.26997	0.5
71.01380	48.5
72.01727	0.7
72.99307	3.4
73.02946	6.8
75.00888	0.4
81.03468	0.4
81.25845	0.3
83.01382	4.9
84.02203	0.5
85.02948	17.7
86.00102	1.2
86.03266	0.4
87.00874	3.4
88.98790	0.3
89.02445	32.9
90.02774	0.4
95.01387	6.1
97.02934	1.9
98.20013	0.5
99.00880	2.9
99.92606	0.4
101.02441	27.0
101.43221	0.3
102.02769	0.5
111.00871	1.6
112.01698	1.0
113.02448	27.9
113.59193	0.3
114.02798	0.7
114.95723	0.3
115.04013	0.6
116.92855	1.6
119.03505	11.1
124.01665	2.3
125.02419	4.1
129.01939	0.6
131.03563	0.9
141.01920	0.3
142.02711	0.5
143.03511	4.7
149.04543	1.2
150.06851	0.3
161.04561	6.5
161.05891	0.5
167.78206	0.4
179.05595	3.0
209.11818	0.7
225.11374	1.2
227.12875	0.4
449.29059	1.3
467.29929	0.9
537.30444	0.9
547.32947	0.5
571.08929	0.4
575.32257	1.5
581.33862	0.5
611.34320	80.7
612.34656	13.6
629.35388	74.7
630.35760	12.4
630.44336	0.3
639.20044	0.4
671.36444	16.8
672.36798	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	671.401
Annotation	Guineamide D
Peak:m/z	Relative Intensity
59.01373	2.3
61.74908	0.4
61.98840	1.7
63.70134	0.3
70.27267	1.2
71.01392	1.6
72.99280	0.3
85.02959	0.6
89.02448	0.4
98.20655	0.3
99.04546	0.3
101.02483	0.4
109.06588	0.4
113.02424	0.7
121.06604	0.4
123.04532	0.5
123.08159	0.4
135.08215	0.8
136.05321	0.6
149.06076	3.1
150.06857	52.8
151.07193	2.0
157.12451	0.3
161.04730	0.5
161.09735	1.1
162.06848	0.9
163.07629	7.6
163.11136	0.4
164.08415	13.5
165.08794	0.6
176.08356	0.3
177.01823	0.4
177.09137	0.6
178.09932	0.8
179.10771	26.3
180.11092	1.5
182.55914	0.4
185.11826	0.9
188.60016	0.5
207.10274	0.8
209.11783	0.9
215.12881	0.6
225.11295	0.5
227.12604	0.4
249.69945	0.4
311.22186	0.9
327.21866	0.5
327.25336	1.1
329.23279	21.5
330.23645	1.5
490.32886	0.5
491.33807	5.4
492.33984	0.6
494.32672	2.6
508.34055	5.8
508.41019	0.7
509.34781	30.0
510.35129	3.7
523.00000	0.4
523.36639	1.0
551.36066	0.8
616.72650	0.5
627.36945	0.5
671.40125	100.0
672.40436	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01385	2.3
61.98832	1.9
71.01393	1.2
71.05016	0.3
71.52465	0.2
72.99318	0.3
73.02940	0.6
73.35801	0.2
77.68830	0.2
83.01403	0.2
85.02950	0.9
87.00855	0.3
89.02438	0.5
97.06570	0.3
99.04537	0.3
101.02455	0.7
103.00356	0.4
109.06605	0.3
111.04582	0.4
113.02467	0.7
121.06590	0.4
123.08170	0.4
125.02439	0.6
130.95271	0.3
135.08147	1.3
136.05318	0.6
136.07721	0.3
137.09740	0.4
139.11287	0.4
148.05435	0.3
149.06088	3.5
149.09700	0.3
150.06866	55.7
151.07188	2.4
157.12341	0.5
158.66858	0.3
160.45039	0.2
161.02420	0.2
161.09708	1.1
162.06892	0.5
163.07657	9.0
164.08417	14.0
165.08827	0.9
169.12299	0.4
169.26666	0.2
171.10298	0.3
177.09229	0.9
178.10068	1.2
179.10779	29.7
180.11137	1.4
185.11823	1.0
185.13440	0.3
193.64517	0.2
207.10310	0.6
207.16995	0.2
209.11844	0.7
215.12863	0.5
216.63664	0.2
225.11314	0.9
227.12903	0.5
253.09219	0.3
311.22360	1.0
327.21701	0.7
327.25433	1.0
329.23312	22.8
330.23648	1.6
467.95947	0.3
476.31555	0.4
491.33752	6.0
492.34036	1.1
494.32562	2.2
508.34009	6.8
509.34805	30.6
510.35181	4.5
523.36700	0.8
551.35822	0.8
611.32971	0.3
671.40118	100.0
672.40442	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	673.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.3
59.01379	1.6
61.98836	0.6
63.02406	0.7
65.00345	0.5
69.03464	0.3
69.58070	0.2
71.01365	0.8
72.40621	0.2
73.02941	1.2
83.01385	2.0
84.12256	0.2
84.53875	0.2
85.62903	0.2
87.04530	0.2
89.02494	0.2
91.01913	0.3
92.19027	0.2
93.03461	1.4
95.01383	0.3
95.05013	0.2
97.02994	0.2
101.02428	1.1
103.00378	0.4
107.01382	2.0
109.02976	0.7
112.95912	0.2
117.03440	0.3
122.06129	0.5
123.04512	0.2
130.04239	0.2
131.05029	0.2
133.02896	0.2
135.00888	1.1
137.02472	0.3
139.11302	1.6
143.05045	0.9
145.02945	0.3
151.00369	2.8
152.07166	0.7
154.04199	0.3
157.06590	0.8
159.04483	1.3
163.00397	2.1
164.01207	0.4
165.01964	0.2
165.09302	0.2
167.05011	0.6
168.05745	0.2
169.06544	0.9
169.12360	0.6
171.04523	0.6
173.06110	0.2
179.10747	0.5
181.12363	0.6
182.03636	0.2
183.04510	0.7
183.10274	3.2
184.05254	0.2
184.10503	0.2
185.06090	2.5
187.04004	3.3
188.04536	0.2
189.05515	1.1
190.99951	0.2
195.04532	0.8
196.05142	0.2
197.06067	1.1
197.11836	0.6
198.03230	0.3
199.04016	1.0
201.05566	0.6
209.11942	0.8
211.04030	1.6
211.06026	0.2
212.04840	0.3
213.05547	2.2
214.02657	0.4
215.03662	0.4
217.05025	0.2
223.04056	0.3
225.09242	0.3
225.11333	3.7
226.11649	0.3
227.03493	8.9
227.12851	0.2
228.03889	0.6
229.05042	10.9
230.05438	0.6
239.03442	1.7
240.04237	0.8
241.05031	1.5
243.03035	0.4
243.12355	4.2
244.12656	0.3
249.11316	0.6
255.02971	12.2
256.03650	1.9
257.04550	6.7
258.04926	0.5
267.02884	1.1
267.12442	0.8
284.03256	9.6
285.04028	100.0
286.04370	7.7
291.12363	0.8
309.13406	0.3
327.14536	2.1
328.14688	0.2
387.11545	0.3
387.16565	6.3
388.16986	0.4
597.23419	0.7
613.19476	1.2
613.28204	0.2
629.26233	0.4
641.22260	0.7
655.20239	0.7
656.20331	0.2
658.13513	0.2
673.21283	20.8
674.21655	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	673.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37648	0.2
51.31973	0.2
55.78305	0.3
57.03426	0.3
57.47847	0.2
59.01377	3.3
61.98830	5.1
63.02411	0.3
65.00318	0.5
71.01373	1.3
73.02957	1.0
74.37334	0.3
80.05053	1.5
83.01387	2.1
83.05028	0.3
83.96001	0.2
85.02954	0.6
89.02444	0.5
93.03452	1.3
94.06641	0.8
94.97375	0.2
96.95914	0.2
98.20768	0.5
101.02457	1.2
103.00367	0.7
104.05044	0.7
106.06605	1.2
107.01398	1.0
107.03774	1.1
109.02937	0.3
109.06579	0.3
111.49543	0.2
113.02431	0.4
116.92845	0.4
117.03423	0.3
119.03542	0.4
119.05028	0.3
120.04554	0.3
122.06116	9.2
124.07649	0.2
125.02463	0.3
125.06006	0.2
132.04504	0.5
134.06116	2.3
135.00845	0.4
135.04541	0.3
136.07635	0.4
139.02681	0.3
139.11285	1.2
143.04955	0.3
148.04005	0.4
150.05626	0.4
150.06839	0.4
151.00302	1.5
152.07167	11.1
153.07500	0.6
154.04254	0.6
157.06650	0.3
159.04471	0.4
160.03973	0.4
160.06406	0.5
161.04559	0.4
165.01889	0.3
165.12617	0.3
169.06567	0.7
169.12317	0.3
171.04562	0.4
171.10313	0.3
173.02412	0.3
173.04814	0.3
174.05559	0.6
179.10851	0.3
180.06644	0.5
181.12340	0.6
183.10310	2.6
185.06041	1.0
187.03999	0.6
188.07077	1.1
197.11761	0.2
209.11842	2.9
211.04008	0.7
211.08705	0.4
211.13335	0.4
213.05537	0.6
213.10312	2.4
214.02673	0.5
215.03432	0.4
225.11444	3.2
226.11327	0.5
227.03596	0.3
227.13005	2.3
229.05019	0.7
237.10220	0.5
238.07170	0.3
239.03450	0.8
239.11877	2.0
240.04065	0.3
241.13448	1.6
243.02953	0.4
243.12383	4.2
244.12561	0.3
245.12939	1.3
249.10922	0.3
250.07442	0.5
251.08194	0.6
251.11809	0.4
253.09671	0.8
257.04510	0.5
265.09763	1.1
266.10526	0.4
267.03174	0.4
267.11780	1.1
268.03647	0.3
277.09848	0.4
278.06900	1.0
278.10614	0.7
279.07675	1.5
279.11234	0.5
280.08243	0.3
283.10883	0.4
284.03308	0.6
285.04025	100.0
285.12387	5.3
286.04395	6.2
286.12866	0.5
291.07727	0.3
291.12241	0.5
293.09286	3.2
293.12961	1.5
294.10114	1.2
295.10791	3.4
296.11096	0.4
306.10129	0.4
307.10794	1.4
309.12683	0.4
313.12015	0.6
323.10312	0.7
325.11935	0.4
327.14340	2.3
328.10818	0.4
328.14502	0.3
337.08292	1.5
339.09872	0.6
342.12634	0.3
351.09903	0.5
355.13190	0.5
356.17578	0.3
357.15048	0.4
358.15692	1.7
374.18338	0.3
384.13535	0.4
385.14328	0.3
386.50800	0.3
387.16571	6.1
388.16861	0.5
398.14899	0.4
400.16687	1.7
412.16745	0.4
432.19482	0.5
458.16888	0.6
459.17868	0.8
460.18668	1.8
474.20126	1.0
476.18329	0.6
486.16812	0.7
503.16702	0.6
504.17804	2.9
518.19434	3.2
519.19604	0.4
523.23730	0.5
525.86102	0.3
536.20471	0.7
550.21930	2.8
551.22150	0.4
565.24500	10.5
565.33337	0.5
566.24634	1.9
586.75635	0.3
597.27545	1.6
609.23486	5.7
610.23767	0.9
613.33038	0.5
629.26288	0.4
641.26147	21.2
642.26434	3.5
672.40033	0.7
673.28790	4.2
673.40057	0.8
674.29315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.3
59.01371	9.4
59.45360	0.9
61.98830	16.6
70.52611	3.1
71.01378	7.3
71.65388	0.8
72.29948	0.9
72.99264	1.1
73.02927	1.8
75.00826	4.0
83.01362	1.7
85.02925	2.4
89.02406	2.8
94.06624	6.5
96.95947	1.2
99.00856	2.2
99.04482	1.0
100.31875	0.9
101.02383	2.7
103.00369	22.1
106.06608	2.3
107.03768	16.1
113.02412	1.5
116.92821	1.5
120.04495	3.7
122.02419	2.0
122.06121	74.1
123.06400	1.9
124.03977	3.2
124.07662	2.7
125.02396	1.7
127.41542	1.0
127.79951	1.0
129.01959	1.1
129.76303	1.1
134.06142	8.4
136.03958	4.1
136.07607	0.9
138.05539	1.1
139.02750	5.8
148.03873	1.2
149.04459	1.1
149.05960	0.9
150.05510	3.9
150.06767	3.0
152.07170	100.0
153.07413	2.8
166.05057	1.2
168.06598	2.4
177.04048	1.3
179.10732	2.3
180.97192	0.9
191.10658	1.1
195.04753	0.8
209.11845	11.7
225.11218	1.3
227.12805	2.6
235.08449	1.6
237.10159	1.0
249.10068	1.8
251.11768	1.4
263.08121	1.4
264.08963	1.2
275.08093	1.2
276.08981	1.2
277.09674	3.8
278.10544	1.9
279.11215	2.3
285.04010	4.6
286.04117	1.4
289.09619	1.1
317.11325	1.5
329.12369	1.0
330.12079	1.1
340.10629	1.3
342.08563	1.4
342.12268	2.5
344.13971	1.4
354.12177	1.4
355.13141	1.1
356.10175	1.7
356.14081	2.1
357.10690	1.6
358.11792	2.2
358.15640	1.5
368.09976	1.5
370.11652	3.2
371.12717	1.5
372.13293	4.2
373.14316	1.2
384.09344	1.8
384.13577	2.0
386.10867	6.2
386.14999	4.0
397.13904	1.4
398.10840	1.9
399.11642	2.2
400.12848	1.9
401.13394	2.8
402.14282	3.9
404.16245	6.4
414.14423	6.0
416.16241	1.8
417.13129	5.5
426.14166	2.9
430.13770	1.9
431.14304	1.5
432.15662	30.5
433.15619	2.9
441.74774	1.2
444.15582	10.4
445.15915	1.7
446.16943	1.5
463.17035	1.2
464.18286	5.2
497.27087	2.1
511.36444	6.5
525.20313	1.3
539.22382	1.6
553.24042	1.1
554.22363	1.2
555.21887	1.3
556.23285	1.6
569.23914	5.7
593.36163	1.1
597.23529	89.0
598.23804	16.2
611.37366	1.0
613.31580	2.9
629.26050	53.6
630.26245	9.9
641.12170	1.9
641.22516	48.0
642.22650	9.0
673.24603	69.4
674.24878	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	673.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98536	0.2
88.55137	0.1
94.08587	0.1
119.05036	0.2
219.75771	0.1
302.17700	0.3
303.18015	0.4
304.18265	0.2
305.18472	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36742	0.6
53.70737	0.6
57.03439	0.6
59.01377	6.1
61.98829	7.9
69.51736	4.1
71.01377	2.1
72.99302	0.7
73.02937	2.6
80.05061	3.9
83.01383	2.1
85.02930	0.9
87.00877	0.6
89.02445	1.4
93.03442	0.8
94.06627	1.5
101.02439	2.0
103.00345	3.5
104.05053	1.5
106.06618	1.8
107.03774	3.3
108.04607	0.7
120.04541	0.8
121.05268	0.7
122.06125	22.7
124.07681	0.7
130.06644	0.7
131.17337	0.6
134.06131	6.4
136.07600	0.9
139.02748	1.1
139.11240	1.2
143.04941	0.7
148.04070	1.5
150.05676	0.6
150.06847	1.6
151.00400	1.6
151.07222	0.7
152.07170	32.3
153.07552	0.9
160.03963	0.9
160.06383	1.2
161.04755	0.8
162.05492	0.6
165.01950	0.7
169.06593	0.9
172.60793	0.7
174.05560	2.1
179.10751	1.0
180.06654	0.6
181.12320	1.1
183.10306	3.5
185.06215	1.1
187.03969	0.6
188.07182	4.2
190.05069	1.2
198.03223	0.8
199.13438	1.0
209.11887	5.8
211.04103	0.7
211.08760	1.4
213.05721	0.9
213.10315	6.2
223.08730	0.8
225.11531	3.8
226.11136	0.8
227.12943	5.7
229.04958	1.0
235.08534	0.9
237.10316	1.5
239.03398	0.9
239.11882	5.2
241.13475	3.9
243.12395	4.1
245.12921	5.0
249.06535	0.8
249.10262	0.9
250.07391	1.4
251.08165	0.9
251.11916	1.3
252.09059	0.7
253.09779	2.7
263.07935	0.9
264.08881	1.2
265.09882	3.7
266.10486	0.9
267.11450	2.4
277.09784	2.5
278.06985	2.1
278.10535	2.1
279.07678	2.5
279.11310	2.3
285.04037	100.0
285.12421	14.1
286.04395	9.4
286.12720	1.4
293.09314	9.2
293.12973	3.4
294.09933	1.5
294.13016	0.9
295.10815	8.1
307.07764	0.7
307.10803	3.5
309.12839	1.0
313.11829	1.6
319.22760	1.6
323.10434	4.2
325.11984	1.5
327.14542	3.1
337.08359	4.8
338.08807	0.9
339.09930	1.5
355.13068	1.5
356.18085	0.7
358.15656	3.9
359.15802	0.9
384.13269	0.7
387.16428	7.9
388.17056	0.8
399.15790	1.1
400.16769	4.6
401.17050	1.4
412.16748	2.2
417.17044	1.2
432.19528	0.9
444.15411	1.1
458.17014	0.9
459.17923	2.8
460.18765	4.8
474.20584	3.4
476.17865	1.5
486.16864	1.4
497.25964	0.6
503.16986	0.9
504.17715	9.0
505.17953	1.4
518.19220	9.4
519.19501	0.9
523.23602	1.4
536.20288	1.6
550.21991	9.3
551.22430	1.2
565.24512	28.5
566.25006	4.4
597.27515	4.1
598.27490	0.9
609.23547	16.0
610.23962	2.3
641.26160	54.3
642.26483	11.1
673.29047	13.6
673.40558	3.0
674.29462	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81240	0.2
55.01870	0.5
57.03448	0.7
58.00583	0.7
59.01378	15.0
61.98831	3.3
67.55208	0.2
67.65641	0.2
71.01379	6.7
72.99327	1.0
73.02944	1.7
75.00880	1.2
80.97256	0.2
83.01389	0.8
83.05032	0.3
84.67751	0.2
85.02948	3.0
87.00885	0.4
89.02438	2.8
89.52242	0.2
95.01404	0.4
96.96004	0.4
97.02904	0.3
99.00884	0.6
99.04504	0.5
101.02441	3.1
103.00371	100.0
104.00710	1.5
109.02991	0.3
113.02438	2.7
115.00409	0.3
116.92865	0.5
118.65905	0.2
119.03490	0.9
119.05003	0.2
119.08643	0.6
125.02464	0.2
129.01923	0.2
131.03477	0.3
134.06146	0.2
137.09721	1.2
139.11259	0.9
143.03522	0.3
149.04601	0.3
149.06021	0.3
150.06854	1.6
153.01888	0.3
161.04543	0.4
163.03929	0.2
163.07629	0.5
165.12862	0.3
179.05721	0.2
179.10757	1.5
181.08685	0.3
181.12292	0.3
183.10205	0.7
209.11755	0.7
218.04672	0.2
227.12869	0.3
285.03934	0.8
304.61240	0.2
317.21075	0.4
319.22632	0.6
335.22174	0.3
431.17850	0.2
479.26462	2.7
480.26154	0.3
484.96948	0.3
497.27527	9.6
498.27902	1.0
510.35141	0.3
511.29608	0.2
511.36328	3.5
512.36426	0.3
539.28412	1.0
544.68030	0.3
569.32776	0.3
571.31067	0.3
613.32361	1.5
614.32764	0.3
631.32617	0.3
641.21771	0.2
655.30432	0.4
673.30634	16.5
674.31335	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	673.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
55.81655	0.4
57.03443	0.9
58.00596	0.5
59.01380	12.7
59.18679	0.3
61.98820	1.2
71.00848	0.7
71.01377	7.1
72.99315	0.7
73.02947	2.0
75.00874	1.0
83.01392	1.1
85.02958	3.3
87.00850	0.4
89.02453	1.9
95.01378	0.5
96.06083	0.3
99.00859	0.4
101.02454	3.3
103.00372	100.0
104.00707	1.3
111.00950	0.4
113.02449	2.5
119.03474	0.5
129.01901	0.4
161.04579	0.6
180.02528	0.5
195.04858	0.9
196.05104	0.5
209.11768	0.5
394.61517	0.4
475.44513	0.4
479.26602	3.0
497.27475	9.4
498.27859	1.2
511.35950	0.4
539.28906	0.5
613.32031	0.4
655.30597	0.6
673.30811	17.5
674.31384	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.4
59.01378	9.8
61.98826	16.4
69.52596	1.0
71.01382	47.2
73.02959	2.7
78.95959	1.2
81.03464	1.2
83.05038	3.1
85.02952	2.7
85.27177	1.0
87.00874	2.6
88.50048	1.2
89.02459	5.2
95.05032	1.1
97.02950	3.2
98.19868	2.7
99.00869	2.3
100.08371	1.1
101.02421	7.0
109.06599	8.8
109.98627	1.1
113.02436	2.9
125.09734	1.2
137.09775	1.2
141.01880	1.3
145.05023	2.0
153.12857	1.2
161.04526	1.9
162.62524	1.2
163.11305	9.6
165.12901	1.5
171.10284	6.0
179.05586	1.5
181.12341	4.8
183.13890	9.1
185.11772	1.9
193.12375	1.8
197.11819	1.2
199.09830	1.1
199.13373	14.4
201.11324	3.2
205.45706	1.0
207.10243	27.5
208.10492	1.3
209.11829	37.5
209.13803	1.8
210.12102	1.7
211.13382	100.0
212.13773	6.7
225.11327	17.1
227.12869	41.1
227.15118	1.5
228.13110	1.8
235.08195	4.7
235.13521	1.2
243.12320	2.2
253.09213	9.3
265.14584	1.3
383.22186	1.9
384.80698	1.2
391.24777	1.7
401.23276	6.7
419.24353	4.5
447.22076	1.2
461.20355	4.0
463.21692	4.9
493.28107	1.4
637.31995	4.9
638.32672	1.8
655.33423	9.2
656.34052	3.2
673.34631	12.9
674.33972	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	674.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
59.01382	18.9
61.98833	21.0
71.01382	3.1
71.59350	0.7
71.71475	0.7
73.02960	1.4
77.45383	0.8
85.02950	6.8
85.79082	0.7
87.00882	2.3
89.02444	1.3
98.19870	1.7
99.00894	0.7
101.02435	2.0
103.00381	0.8
113.02444	1.4
121.06611	6.9
135.04559	1.3
136.07657	2.4
137.09720	22.0
138.73840	0.7
139.11298	18.6
151.00420	0.8
161.04550	1.2
165.09187	1.1
181.12321	5.2
183.10251	23.0
190.04996	0.9
205.12323	6.8
209.11781	1.5
215.08218	3.4
225.11256	3.1
227.12914	1.4
230.10667	1.7
243.12407	3.7
275.10355	1.9
334.11765	2.6
335.12488	1.8
339.13364	1.3
372.64655	0.8
469.51099	0.8
473.20276	1.2
521.51001	0.9
593.30225	1.6
611.30707	100.0
612.31073	16.7
643.24451	0.7
675.24634	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.9929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80561	0.3
59.01378	55.4
61.98827	2.9
64.36910	0.4
68.20641	0.4
71.50467	0.6
77.80067	0.4
90.97146	1.2
106.05403	0.4
112.71416	0.5
118.96628	0.6
127.61486	0.4
132.98225	2.2
157.03532	0.6
174.99245	23.1
192.95865	1.6
201.02563	3.5
217.00299	100.0
218.00668	2.6
359.01468	11.4
360.01492	0.9
374.99200	64.8
375.99527	3.3
458.04794	0.4
517.00378	2.8
532.98077	17.9
533.98175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.5
59.01377	5.5
61.98826	3.2
63.02395	0.8
65.00330	2.9
68.99786	0.6
69.29501	3.8
71.01385	2.6
72.99311	0.7
73.02945	1.9
75.00877	1.8
81.03484	2.2
83.01391	5.4
85.02944	2.3
87.00887	1.0
87.04523	0.6
89.02432	0.9
92.96789	0.4
93.03440	2.3
97.02949	0.5
99.00875	0.7
99.04537	0.5
99.92554	0.8
101.02439	2.0
103.00368	1.4
107.01385	2.1
107.05003	0.6
108.99931	0.5
109.02955	1.7
111.00913	0.7
113.02440	0.9
116.92851	1.2
117.03441	2.2
119.05016	5.3
121.02948	1.9
122.06094	1.1
123.04523	1.3
124.01649	1.5
125.02442	54.1
126.02763	1.8
129.01921	0.9
131.05028	0.8
133.03008	2.1
135.04520	0.9
136.07718	2.7
139.11299	1.8
145.02946	4.0
147.81476	0.4
149.02431	0.9
149.06079	0.5
150.05666	0.4
150.06860	1.3
151.00363	7.1
151.07275	0.5
152.01122	3.8
152.07198	1.0
153.01898	2.1
156.05774	0.8
157.06578	1.2
158.03709	0.6
159.04497	1.1
161.04585	0.5
163.00323	0.4
163.04041	2.6
165.01941	0.6
172.05327	1.5
172.93205	0.5
173.06064	4.7
175.03969	0.9
176.01099	1.2
177.04094	0.9
177.05521	5.3
178.99838	4.5
179.10797	1.2
180.00122	0.5
180.11086	0.9
181.12300	1.3
183.10313	3.6
197.11789	0.7
199.07654	1.7
201.05569	6.0
202.05919	0.5
203.03519	0.8
209.11812	0.5
212.97757	0.4
214.06209	0.5
215.07098	5.7
219.06630	1.1
225.11322	3.8
227.12927	0.5
241.05019	1.2
243.06612	10.0
243.12349	4.4
244.06854	0.9
259.06088	52.1
260.06360	4.0
265.09854	0.6
267.12430	0.7
269.04510	7.5
270.04776	0.7
283.06198	1.5
284.02979	0.5
285.03986	0.7
285.13419	0.6
287.05600	100.0
288.05942	6.7
288.16046	13.1
291.12161	1.0
319.12924	1.6
327.14426	2.0
355.12915	0.5
387.16559	10.8
388.16882	1.3
416.16110	0.5
452.11288	0.5
452.33652	0.5
474.16763	0.6
494.18979	0.7
497.27411	1.3
512.36700	1.8
513.36951	1.0
535.04761	0.4
599.25336	1.7
615.33606	0.9
625.22839	0.8
643.24048	3.5
644.24426	0.6
647.23462	1.1
657.22760	0.9
675.23230	9.7
675.32697	5.4
676.23523	1.6
676.33484	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	675.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.4
59.01379	26.1
61.98831	65.6
71.01387	18.8
72.99315	2.5
73.02932	4.6
80.05054	4.8
81.03483	3.1
83.01362	3.6
83.05013	4.0
85.02946	7.2
87.00866	2.5
88.98778	2.4
89.02442	8.6
89.99320	1.7
93.03485	3.1
94.02970	6.4
94.06628	2.3
95.05012	3.2
96.96009	4.6
98.02475	5.3
99.00870	5.3
99.04517	6.4
101.02425	10.1
103.00381	11.6
106.06646	4.5
107.03754	5.1
108.04532	4.0
110.02477	13.2
111.04520	13.4
112.98550	2.6
113.02457	5.7
116.92847	10.3
119.03499	2.0
120.04545	2.4
120.08203	10.3
121.05347	2.4
122.06118	36.7
123.04539	3.0
124.04047	4.5
125.02440	3.4
129.01881	1.8
130.06631	1.8
132.04552	4.1
132.70840	1.9
134.06143	18.7
136.03993	7.2
136.07692	26.1
137.02489	3.3
138.05588	6.2
139.11246	2.9
146.06068	2.0
148.04100	2.6
149.04652	3.5
149.06041	5.0
150.05609	18.3
152.03574	9.8
152.07179	45.6
153.07503	2.1
154.05087	3.3
160.04071	2.8
161.04643	4.3
162.05576	3.8
165.05548	2.0
167.03464	3.5
168.06660	4.6
174.05606	5.5
175.05145	2.1
177.03966	2.7
179.70438	1.9
183.10223	4.4
184.37001	2.1
188.07108	3.8
190.05045	5.4
191.05499	3.2
199.13405	4.4
201.06677	2.8
201.10379	8.9
202.12270	2.6
209.11810	6.8
210.12114	4.2
213.10236	3.8
225.11369	3.5
227.12704	8.4
229.09821	18.6
229.13466	4.0
230.11826	5.9
237.10242	3.9
239.11922	6.0
241.09825	3.2
243.12282	7.0
245.09352	3.9
245.12898	3.9
251.08167	2.1
251.11940	2.4
253.09631	3.2
255.11400	12.0
257.09189	3.8
257.12933	5.0
265.09741	3.9
267.11356	3.3
273.12509	18.3
274.12921	2.3
278.10458	2.0
279.11273	4.0
283.10797	5.8
295.10767	8.4
297.12326	4.0
299.10483	2.5
301.11929	21.5
302.12234	3.0
313.11700	4.6
317.11307	12.0
319.12970	24.9
323.10397	3.0
325.11908	6.3
330.12827	2.1
335.12479	75.9
336.12729	6.1
337.12082	2.3
355.12958	8.5
358.12009	3.9
372.13290	4.8
374.14920	5.9
387.16406	2.3
388.16711	7.8
392.15982	3.9
398.14868	2.7
400.12885	4.9
416.16183	19.9
434.17322	3.4
442.17889	4.7
486.16800	8.9
497.27081	2.6
518.19257	9.5
531.27142	3.8
539.23199	3.5
555.26062	2.7
557.24213	18.2
575.24524	2.8
581.24335	10.9
582.24823	3.2
599.25092	34.4
600.25079	8.3
601.23175	20.5
602.23853	5.8
612.31305	3.7
615.33722	15.4
625.22852	7.8
631.27307	2.6
643.24152	62.4
644.23950	11.0
675.25677	100.0
676.26031	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44883	0.2
53.56868	0.2
57.59833	0.2
59.01375	2.2
61.98811	0.2
63.79810	0.2
64.87991	0.2
67.01862	0.2
69.03500	0.2
81.97244	0.2
82.03000	0.2
83.05027	0.6
85.14832	0.2
89.80787	0.2
92.62177	0.2
94.02990	2.1
95.05018	0.4
96.96004	0.3
98.02489	0.5
103.00426	0.2
106.06628	0.2
107.03775	0.3
107.05038	0.2
108.04556	2.3
119.86687	0.2
120.04541	0.8
121.05347	0.2
122.06114	8.4
124.04024	1.3
132.04529	0.4
134.06126	1.4
135.03354	0.2
135.06860	0.4
136.04045	3.5
136.07677	10.2
137.04811	0.3
137.08002	0.4
138.05621	2.4
140.94478	0.2
147.05589	0.2
147.06898	0.2
148.04045	0.3
148.07664	0.2
149.34286	0.2
150.05603	8.1
151.05898	0.2
152.07170	1.5
158.06026	0.3
159.11801	0.5
160.04175	0.2
162.05598	0.2
163.08775	0.4
164.07091	0.3
169.10260	0.3
172.07481	0.2
174.09229	0.6
175.05139	0.3
176.03505	0.7
186.04279	0.4
186.09247	3.0
187.09842	0.4
187.11369	0.4
190.05164	0.6
192.71240	0.2
196.07623	0.2
200.05736	0.2
200.10817	0.3
201.06537	1.9
201.08224	0.4
202.07162	1.5
202.08800	1.0
202.10683	0.3
202.12363	2.2
203.08110	0.3
212.10838	1.4
213.06631	0.8
214.07410	0.8
214.09073	0.3
215.08113	2.1
216.08954	0.3
227.11754	0.3
228.10344	2.8
229.09805	13.6
230.12033	8.6
231.11713	0.6
239.08319	0.6
240.09096	0.9
241.09726	0.3
243.11287	0.4
244.08557	0.5
245.09299	4.7
245.12909	0.9
246.09308	0.3
246.11563	0.2
255.11360	3.8
256.11838	0.4
257.09308	6.6
258.09927	1.4
259.10815	0.4
273.12439	19.2
274.13190	1.4
275.10342	1.3
290.12784	0.5
299.10349	0.5
317.11404	15.6
318.11688	1.4
334.11694	1.1
335.12469	100.0
336.12790	9.2
339.13379	1.0
583.21613	0.6
615.25031	0.4
643.23712	0.3
675.25616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.9
61.98820	1.6
70.08454	2.0
70.08866	2.8
71.01374	1.4
73.02944	1.1
80.05049	6.5
94.02965	2.6
94.06610	2.3
98.11754	1.1
98.20560	1.1
101.02408	1.5
103.00378	1.0
104.05048	2.6
106.06618	2.1
107.03775	5.6
108.04543	4.5
119.04992	1.2
120.04610	0.9
120.08161	1.1
121.05360	1.3
122.06122	22.0
123.03184	1.0
124.04027	4.7
124.07674	1.8
132.04535	2.5
134.06123	5.4
136.04007	4.5
136.05157	1.4
137.04773	1.6
138.05571	4.3
139.02730	1.1
139.11230	0.9
147.05641	3.5
148.04025	2.8
150.05626	9.4
152.07170	37.7
157.17656	1.0
160.04018	2.2
161.04643	1.4
164.07100	1.2
174.05527	4.2
175.05067	3.0
177.04013	1.1
187.08745	0.9
190.05067	2.7
201.10326	13.5
202.12259	1.2
211.08701	1.3
212.09259	1.2
213.10297	6.5
225.10257	2.0
227.08244	1.4
227.11871	6.2
229.09840	18.8
229.13448	6.5
237.10443	1.5
239.11873	6.3
241.09912	1.6
245.12926	10.1
247.10809	2.5
255.11403	6.9
257.09720	1.0
257.12878	4.9
265.09692	2.5
266.10626	1.2
267.11325	2.0
273.12405	6.0
281.09277	1.0
281.12796	1.0
287.10403	1.0
288.15903	2.5
289.12024	4.7
295.10831	4.3
296.11264	1.0
297.12354	1.2
301.11908	20.5
302.12479	1.5
309.12402	2.7
313.11832	3.9
319.12976	70.6
320.13367	7.0
323.10303	7.1
325.11841	2.7
327.13416	4.9
328.14398	1.1
330.12189	1.8
332.14005	1.2
344.13983	1.3
355.12930	6.7
358.11835	1.1
359.12680	2.3
360.13101	1.4
372.13440	2.1
374.14987	10.2
375.15628	1.2
386.11075	1.1
391.15176	2.9
392.16119	11.3
393.16415	0.9
400.12921	1.5
401.13391	1.2
403.14828	1.8
416.16229	6.0
417.16336	1.2
418.13898	2.5
432.15521	1.1
434.17145	5.4
446.16937	2.2
531.26404	2.1
539.22827	2.3
557.23993	16.2
558.24353	2.6
575.24707	1.2
581.24121	5.3
583.21606	1.7
599.25110	66.4
600.25452	12.7
602.23627	3.8
625.23328	2.1
643.24066	100.0
644.24347	20.5
675.26550	39.9
675.36816	2.3
676.26208	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	675.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21863	0.7
59.01372	3.1
61.98830	22.1
68.99818	2.2
71.01373	2.1
71.52031	1.0
76.34856	0.6
78.38228	0.6
82.02982	1.3
85.02936	1.1
89.02423	1.4
94.02986	19.9
96.04554	2.5
96.96075	0.7
99.00871	9.4
99.92564	0.8
101.02440	1.4
104.87388	0.6
108.04548	2.0
110.06071	1.1
116.92854	2.4
129.05812	1.6
134.02498	1.5
134.06102	3.5
136.04001	1.5
136.07680	2.2
137.04854	0.8
138.05614	10.6
144.08185	7.4
148.07663	1.5
150.09258	0.8
152.07130	0.9
158.06100	0.7
160.07726	0.8
161.04724	1.3
170.50809	0.7
171.10223	5.5
172.07664	7.7
172.18604	0.7
174.09210	2.1
175.06264	0.7
176.07143	1.3
176.35913	0.6
185.07092	0.6
188.10844	1.6
199.13437	1.0
200.10814	1.1
201.11282	1.2
204.08705	0.7
204.10181	3.4
207.10280	1.6
208.50078	0.7
209.11806	4.3
211.13432	6.0
213.06694	4.2
215.11842	2.7
216.10275	4.6
225.11235	2.7
227.08269	1.6
227.12782	1.4
229.09668	0.8
230.08038	0.7
232.09752	3.0
241.09819	2.9
243.11366	100.0
243.71977	0.6
244.06270	0.9
244.11728	7.5
253.09427	1.2
263.08093	0.7
267.11319	2.1
269.09308	9.9
269.12909	4.0
276.08774	4.2
287.13696	0.7
293.09375	1.3
293.12903	1.1
311.10944	3.5
311.13992	3.3
323.10413	2.4
324.10916	0.8
327.13458	2.2
337.12219	0.6
345.14606	5.6
369.14432	1.2
371.12494	0.9
387.15588	10.3
388.15805	1.2
389.14014	0.9
405.16620	2.6
431.14499	4.6
432.15372	1.0
442.17523	1.1
461.20062	1.1
488.18076	0.8
513.27405	0.8
522.39038	0.6
581.24109	1.2
599.25024	4.8
600.25732	1.0
615.24133	3.5
615.36926	0.8
625.22748	0.8
643.24054	2.7
657.25214	3.2
658.26593	1.2
675.26392	13.0
676.26941	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	675.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39619	0.3
58.02974	6.3
59.23564	0.3
61.98830	12.1
63.99251	0.8
70.02974	6.2
72.00918	2.4
72.04554	1.3
74.02473	38.3
77.03394	0.3
98.02467	7.9
98.19903	1.0
102.04214	0.3
116.02718	0.4
116.03550	9.2
116.05052	13.8
117.05424	0.8
130.06615	1.6
142.06613	3.3
159.09277	3.2
164.10786	1.2
183.09300	0.7
186.05602	0.9
193.78316	0.3
201.10292	3.2
203.08255	37.3
204.08640	2.1
245.09297	100.0
246.09644	7.3
289.08319	0.9
364.85849	0.4
465.21182	0.4
465.58853	0.4
582.34332	0.4
690.30115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03447	3.6
58.00594	0.7
59.01377	12.4
61.98829	3.2
68.99818	0.8
69.03453	1.3
71.01382	25.4
71.52555	0.5
72.99308	2.6
73.02950	2.9
75.00871	38.4
81.03466	0.4
83.01367	2.1
83.05034	0.6
85.02953	8.2
87.00864	4.6
89.02445	5.1
95.01378	1.3
96.96048	0.5
97.02934	2.0
99.00888	7.1
99.04510	0.8
101.02444	5.9
103.00372	14.4
104.00748	0.9
105.00784	0.5
110.80869	0.4
111.00830	1.0
111.08179	0.5
113.02443	4.7
113.06036	0.7
115.04012	0.6
116.92849	0.6
117.01953	0.5
119.03487	1.4
122.06127	0.7
125.02433	2.4
129.01944	8.9
131.03523	1.3
136.07655	0.6
137.06152	0.5
141.01936	1.2
143.03502	0.6
149.04503	0.5
149.90356	0.4
151.07539	0.5
152.07147	0.8
155.07132	0.6
159.02983	1.5
161.04654	0.6
177.04034	10.2
178.04359	0.5
181.53427	0.4
183.10487	0.4
195.05107	1.3
205.15968	0.6
209.11807	1.4
227.12921	3.5
228.13133	0.5
259.06012	1.9
273.19174	0.4
279.07697	0.5
287.05643	4.2
319.22672	0.9
377.28415	0.5
387.16498	0.6
447.22202	0.6
479.26077	0.8
497.27557	9.1
497.34955	0.5
498.27774	1.0
499.28708	0.9
594.21167	0.4
613.31891	0.6
615.33997	3.1
639.30151	3.3
640.31177	0.6
643.23676	2.0
644.24829	0.6
675.32288	100.0
676.32587	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03450	3.4
58.00576	0.7
59.01378	15.1
61.50846	0.7
61.98832	3.7
69.03449	1.9
69.15484	1.0
69.15884	5.2
71.01381	26.0
72.99294	3.0
73.02956	4.0
75.00872	41.0
83.01370	2.2
85.02954	9.2
87.00868	5.3
88.06346	0.6
89.02444	5.3
91.37880	0.5
95.01411	0.7
95.04942	0.5
97.02955	1.3
99.00874	8.4
99.04536	1.4
101.02449	7.8
102.62271	0.6
103.00374	19.7
104.00768	1.5
105.00791	1.0
111.00859	1.6
113.02457	5.3
114.97933	0.6
116.92865	0.6
119.03523	1.2
119.07056	0.6
122.06151	0.9
125.02441	2.1
129.01952	8.6
131.03520	0.9
139.11180	0.7
140.45148	0.6
141.01913	1.4
145.19423	0.6
147.94516	0.6
152.07173	1.2
153.15398	0.6
159.02956	1.7
161.04588	0.7
177.04056	9.4
195.05182	1.2
205.15944	0.8
209.11815	0.9
227.12968	4.5
287.05630	2.3
319.22787	1.2
335.12384	0.6
447.22287	0.9
479.26431	1.3
497.27441	9.5
498.27759	1.7
499.28824	1.2
615.33862	2.2
639.30225	3.1
643.23895	1.1
675.32269	100.0
676.32684	15.5
703.94598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.6
61.98830	100.0
62.98543	1.9
62.99254	0.3
63.99255	9.0
66.03479	0.3
69.25883	3.0
74.02476	0.5
76.03848	0.3
84.04558	1.1
95.03790	0.5
96.95981	0.4
103.35966	0.4
107.45047	0.3
107.81764	0.3
112.04053	17.9
113.04383	0.4
116.05058	0.3
134.06068	0.3
135.06903	15.1
136.07559	0.6
137.09734	0.7
139.11293	0.7
149.08411	0.9
150.25583	0.3
150.45940	0.4
164.10799	96.4
165.11140	4.5
166.92746	0.3
182.11850	3.8
203.08279	0.8
208.09778	0.9
226.10843	21.4
227.11145	1.2
245.09282	1.5
252.81889	0.3
332.18619	0.6
417.32455	0.4
464.44397	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38484	0.1
55.01878	1.8
57.03444	1.5
58.00597	2.2
59.01379	48.3
60.01714	0.7
61.98852	0.3
63.03363	0.2
67.01888	0.3
68.99814	0.5
69.03454	2.7
71.01381	40.3
72.01720	0.7
72.99303	2.6
73.02944	6.5
75.00864	0.9
81.03461	2.0
83.01387	5.0
83.05026	0.4
85.02951	8.9
86.00101	0.5
86.94773	0.2
87.00876	10.4
87.04522	0.5
89.02443	38.3
90.02784	0.5
91.04006	0.8
93.03468	0.5
95.01385	3.0
95.01942	0.3
97.02950	6.9
98.03206	0.2
99.00880	2.4
99.04515	0.5
101.02441	33.8
102.02788	0.6
103.00378	0.3
103.04020	0.5
107.01406	0.2
109.02937	0.5
111.00885	0.7
111.04521	1.4
112.01645	0.2
113.02450	16.5
113.06072	0.2
113.09704	0.2
114.02781	0.4
115.04009	0.6
119.03497	11.7
121.02943	0.8
123.00876	0.3
123.04504	0.3
124.01627	0.4
125.02446	14.3
126.02804	0.3
127.04017	0.9
127.07670	0.3
129.01906	0.4
131.03496	2.0
132.71069	0.2
133.05074	1.4
136.07611	0.2
137.02455	0.3
139.03990	1.2
141.01913	0.9
143.03497	7.8
144.03951	0.2
149.02504	0.4
149.04523	1.0
151.04004	0.3
157.05037	0.4
161.04550	8.5
162.04837	0.2
163.03922	0.2
167.03470	1.2
169.05034	0.7
171.03011	0.4
179.05603	7.8
180.05936	0.3
185.04526	0.8
199.06128	0.8
203.05585	0.5
217.07211	1.4
219.05098	0.5
221.06639	2.9
235.08214	16.4
236.08580	0.6
245.06606	0.9
253.09259	3.8
254.09601	0.2
259.20642	0.6
263.07712	1.9
275.20093	0.4
277.09546	1.2
277.21701	100.0
278.22052	8.8
287.07684	4.1
291.23322	0.5
301.08536	0.2
305.08765	4.7
306.08969	0.3
322.57831	0.2
323.09808	2.0
361.11395	0.7
379.12451	1.1
397.13470	98.7
398.13824	7.5
415.14542	39.4
416.14835	3.0
521.47278	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03451	1.2
58.00600	2.0
59.01378	52.6
60.01709	0.4
61.98821	1.2
67.01904	0.3
68.99820	0.8
69.03458	2.3
71.01378	40.7
72.01719	0.6
72.99302	3.1
73.02946	7.2
75.00868	0.9
78.00266	0.2
81.03443	1.8
83.01382	4.6
83.05033	0.6
85.02950	8.2
85.03463	0.4
86.00097	0.3
87.00874	9.7
87.04489	0.4
89.02444	38.0
90.02772	0.6
91.04002	0.8
93.03436	0.5
95.01390	2.9
95.05019	0.2
97.02950	7.0
99.00870	2.5
99.04523	0.8
101.02439	33.6
102.02785	0.5
103.00355	0.3
103.04014	0.5
105.40043	0.2
109.02959	0.8
111.00857	0.7
111.04512	1.0
113.02448	16.6
114.02807	0.6
115.04025	0.7
119.03499	11.8
121.02954	0.7
123.00939	0.3
123.04482	0.4
124.01678	0.7
125.02442	14.1
126.02713	0.3
127.04006	0.5
131.03517	1.7
133.05069	1.2
137.02432	0.5
139.03986	1.0
141.01901	0.6
143.03503	6.7
149.04547	1.5
159.02960	0.3
161.04549	7.8
167.03526	1.0
169.05032	0.6
171.03000	0.5
179.05605	7.6
181.05037	0.3
185.04660	0.5
199.06172	0.6
203.05531	0.5
217.07114	1.2
219.05092	0.5
221.06622	3.1
233.22702	0.5
235.08212	16.2
236.08554	0.7
245.06642	0.7
253.09261	4.1
259.20712	0.6
263.07556	1.5
275.20087	0.6
277.09299	0.8
277.21698	100.0
278.22040	8.2
287.07724	3.9
291.23251	0.3
305.08801	4.5
323.09781	2.0
337.16266	0.2
361.11353	0.7
379.12305	1.0
383.12735	0.3
397.13480	95.1
398.13828	7.1
415.14542	38.3
416.14835	2.8
675.35510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55061	0.5
57.09490	0.4
59.01379	100.0
60.01710	0.9
61.98833	3.8
70.78240	0.9
70.78611	0.8
151.86270	0.4
185.60915	0.4
238.17026	0.5
277.22101	0.6
287.65323	0.6
297.84735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.8
58.00574	1.7
59.01379	36.9
61.98830	70.2
69.60213	10.1
71.01375	16.6
73.02936	6.1
75.00879	2.5
80.05063	4.7
82.95376	2.0
83.01376	3.0
85.02947	5.4
87.00854	2.4
88.98810	2.5
89.02425	9.8
94.02976	6.6
95.01363	2.0
96.96003	6.9
99.00881	4.1
101.02477	9.6
103.00375	8.0
104.05049	2.0
106.06599	2.6
108.04499	2.1
108.08208	2.6
113.02444	5.2
116.92910	1.5
119.03477	2.3
123.04496	2.0
125.02389	2.3
134.03723	6.7
134.06099	4.3
135.03999	1.9
136.07681	51.3
139.11290	20.9
148.04034	2.5
149.04478	3.2
149.06041	8.5
152.07166	2.9
161.04572	1.8
165.05528	5.0
169.12354	3.8
171.10263	4.2
174.05627	1.9
180.06688	5.4
181.12292	5.3
183.10292	22.1
188.07187	11.3
191.05540	3.3
209.11749	2.7
211.08754	2.7
212.13698	2.0
216.08530	1.9
225.11282	2.7
225.14859	4.3
226.11032	2.6
229.09854	5.4
229.13391	4.0
230.10080	2.2
251.08279	3.1
251.11717	2.0
253.09724	4.8
257.09106	2.0
258.09821	2.1
267.11328	3.4
273.12506	4.7
274.12778	4.1
279.07748	4.0
279.11337	2.7
293.09363	3.6
294.09970	4.2
295.10873	25.2
301.62213	1.7
307.10822	13.6
318.11505	2.7
335.12454	25.6
336.12759	18.7
337.12601	2.4
368.03723	1.8
402.18124	1.9
416.19916	2.6
429.82358	1.7
442.18094	2.5
444.19284	25.7
479.33804	7.4
485.31216	2.3
488.18268	78.5
502.96515	1.6
518.91034	1.7
520.20880	51.6
545.44092	1.7
547.06757	1.8
607.24316	2.2
613.32227	100.0
614.32648	20.7
616.34436	9.9
617.35016	13.7
633.29553	2.5
644.24548	4.9
645.25885	2.5
676.26215	3.2
677.35559	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	676.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43729	0.9
57.03440	3.6
59.01381	17.7
61.98829	11.0
69.18311	5.0
69.18729	2.5
71.01369	5.7
71.68683	0.8
72.99292	1.2
73.02950	9.6
75.00900	1.6
81.03439	1.0
81.84530	0.8
83.01386	13.0
85.02952	1.9
87.04525	1.7
92.55634	0.7
94.69193	0.7
95.05041	0.8
97.02971	1.1
99.00874	1.4
101.02439	5.7
111.36840	0.7
113.02460	1.5
117.03461	16.8
118.04290	1.3
119.05026	38.9
120.05360	1.2
121.02962	7.6
123.04507	2.5
124.01656	0.8
125.02448	18.3
125.06071	1.1
126.02774	4.1
133.02950	2.7
134.03773	1.0
136.07707	1.3
137.09724	1.2
139.07660	1.6
139.11279	10.9
145.02951	40.0
146.03224	1.1
151.00377	2.9
152.01117	1.4
152.07243	1.5
157.06575	1.0
162.03232	3.4
163.04007	21.9
164.04395	1.4
165.09192	1.0
167.10728	1.2
169.12352	3.6
169.42957	0.8
173.06035	1.4
177.05534	2.4
178.99933	1.0
179.10724	1.2
181.12378	3.7
183.10234	15.1
184.10655	1.4
197.11874	1.9
205.12210	0.8
209.11734	1.8
215.07085	2.0
225.11310	16.4
226.11600	1.2
227.12785	1.4
239.12856	1.4
242.51558	0.7
242.93520	0.7
243.06541	2.5
243.12337	15.2
244.06972	0.9
249.11241	0.9
259.06094	9.6
260.06473	6.5
267.12375	1.3
269.04562	1.5
270.05011	1.2
285.13455	1.7
287.05588	19.5
287.08633	1.6
288.05939	16.0
288.16031	100.0
289.06201	1.2
289.16391	8.0
291.12296	2.9
309.13327	0.9
327.14429	5.8
387.11688	0.8
387.16605	16.9
388.16861	2.3
470.31082	0.8
596.74384	0.8
600.24860	1.0
644.24542	3.1
676.24573	3.3
676.33380	76.0
677.34094	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	677.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.9
61.98836	4.2
66.13688	0.3
70.13342	1.3
71.01401	0.4
80.05055	6.0
82.02977	1.2
86.02428	0.3
94.02983	15.3
95.03352	0.3
96.04576	0.7
98.20058	0.5
104.05077	2.3
106.06633	2.6
107.03788	0.5
108.04545	3.3
108.08189	3.4
110.06095	0.8
118.06636	0.5
121.05341	4.0
124.07682	3.6
132.03622	0.3
132.04515	2.1
134.06114	6.4
135.03291	0.5
136.07680	100.0
137.08043	3.9
138.05612	4.1
146.06117	2.4
148.04044	2.2
148.07669	0.4
150.09224	0.6
152.03612	0.4
152.07198	2.1
153.04305	1.3
158.02435	4.1
158.06131	0.4
160.04059	2.1
160.07631	0.5
162.05621	0.8
168.06651	3.8
173.04933	0.5
174.05566	1.4
176.03491	0.8
180.06654	8.1
186.05518	0.6
188.07156	15.2
189.07562	0.5
190.05086	17.4
190.08707	0.6
191.05466	0.9
192.06754	0.8
196.06325	0.4
210.08084	0.6
211.08759	3.5
212.09312	0.4
214.05139	0.5
215.11943	0.4
217.09764	2.5
223.08743	0.6
223.12392	0.6
224.09480	0.5
225.10283	2.9
226.11072	2.3
227.11859	2.9
229.13434	4.0
231.11476	0.4
235.08720	0.8
236.09392	0.4
237.10341	1.2
238.07484	1.5
239.08116	0.5
239.11937	1.6
248.09631	0.4
249.06618	0.4
249.10410	1.1
251.08267	1.9
251.11893	2.3
252.09016	1.9
253.09790	6.0
254.10300	0.7
259.10986	0.6
263.08173	0.7
264.08929	0.8
265.06573	0.4
265.09818	2.3
266.10474	0.8
267.11337	3.0
276.11276	1.6
277.09689	1.1
277.12137	5.4
279.07730	2.4
279.11343	4.1
280.08408	1.0
280.11948	0.9
281.13037	0.9
283.10870	0.5
289.09805	0.4
292.08472	1.1
293.09351	2.7
294.10153	2.8
295.10858	25.5
296.11218	3.6
297.12430	1.7
299.10406	0.4
305.09363	0.5
307.10861	17.2
308.11221	1.6
309.12421	1.4
319.13013	1.9
321.08798	1.1
323.14053	0.5
324.10980	0.5
325.11960	1.3
335.12448	0.6
336.13211	3.8
337.13660	1.4
339.13464	29.2
340.13922	3.3
341.14926	1.4
351.09570	0.6
374.18988	0.7
376.20193	1.9
377.20160	0.4
395.12292	0.5
400.16397	0.7
401.17310	0.5
402.18152	1.3
416.20132	3.1
420.19135	0.6
426.17810	0.6
432.19461	0.4
442.17706	1.9
444.19229	30.0
445.19650	3.9
446.17075	0.5
447.17801	0.6
448.18762	1.5
460.18756	1.5
470.17380	1.8
488.18243	83.2
489.18546	11.4
508.20807	2.2
509.21646	0.4
520.20862	51.5
521.21130	8.4
545.24103	0.7
585.23621	5.7
586.23810	0.8
617.26135	9.6
617.35260	0.4
618.26471	1.8
627.24524	1.5
645.25745	3.4
659.27100	1.4
677.27631	2.7
678.28345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00343	0.6
59.01380	6.2
61.98831	20.9
71.01384	6.0
71.12411	1.1
72.99308	1.0
73.02930	1.4
75.00871	1.7
80.05062	7.0
83.01383	0.8
85.02943	1.7
87.00845	0.8
89.02432	1.7
94.02981	6.3
96.95973	1.2
99.00930	0.9
99.04509	1.3
99.92554	0.9
101.02472	3.5
103.00354	3.1
104.05003	1.8
106.06612	2.4
108.04562	2.0
108.08196	3.5
113.02448	1.2
116.92825	4.6
119.04990	1.1
121.05319	2.5
123.04488	1.8
125.02429	1.5
132.02513	0.7
134.06126	6.5
136.07678	58.6
137.08006	2.6
138.05594	1.3
145.06233	0.9
146.06081	2.8
148.04015	2.4
149.06065	0.7
152.07159	2.7
153.04309	2.1
160.04028	2.2
161.04645	1.3
163.04018	1.1
167.03487	1.8
171.10231	2.5
174.05574	2.0
178.44469	0.8
180.06642	5.6
188.07166	14.5
209.11812	1.7
210.07855	0.9
211.08704	4.5
223.12433	1.0
225.10274	4.6
226.11119	2.7
227.11789	4.5
229.13417	5.1
235.08835	0.8
237.10291	1.0
238.07442	1.4
239.08148	1.3
239.11826	0.8
251.08295	1.5
251.11859	2.1
252.09056	1.7
253.09821	9.3
265.09747	2.6
266.10596	1.7
267.11298	3.7
277.09814	2.7
279.07709	2.4
279.11340	3.0
280.08423	1.0
284.03207	1.1
285.03952	1.0
286.04343	2.2
287.04443	2.7
288.04813	1.4
292.08359	1.1
293.09396	1.5
294.10095	3.1
295.10864	24.5
295.14090	0.8
296.10953	1.9
297.12439	1.8
307.10855	15.8
308.11292	1.8
309.12277	1.5
321.08688	1.3
337.13187	0.9
360.17300	0.9
374.18777	1.1
376.20297	3.0
402.18381	1.7
416.19986	3.3
420.19305	1.0
426.18121	1.6
442.17526	2.2
444.19290	30.2
445.19577	5.2
460.18454	1.7
470.17224	2.0
488.10562	1.0
488.18225	61.2
489.18579	8.3
520.20850	100.0
521.21155	15.8
617.35498	8.3
618.35297	1.0
629.27380	0.8
645.24078	2.3
677.22864	1.7
677.35577	4.7
678.35974	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34557	0.9
59.01370	1.9
69.23868	9.2
70.91808	1.0
71.01399	1.0
76.98680	1.1
77.25513	0.9
80.05064	3.9
82.02977	3.8
89.62691	1.0
94.02986	45.2
94.06647	5.3
95.03322	1.3
96.04545	3.2
98.20679	1.9
101.02461	1.0
101.35071	1.0
103.00391	1.0
104.05071	1.6
105.05831	1.3
106.06641	3.0
107.03753	7.3
108.04566	2.2
110.06080	1.8
120.08196	32.6
122.06120	45.0
124.07693	1.2
132.04579	5.5
134.06145	8.9
137.04787	1.4
138.05618	19.5
139.02676	1.2
150.05635	2.6
152.07178	95.7
153.07471	3.3
158.02509	1.8
160.04060	1.4
164.07140	2.1
174.05594	1.7
190.05096	5.9
211.12379	1.8
215.11954	1.5
221.10756	1.4
223.08806	7.4
224.09492	3.9
225.10301	3.8
235.12416	2.4
237.10321	12.1
238.10991	4.0
239.11893	10.1
245.12892	5.7
249.06827	1.9
249.10294	1.9
250.07507	1.5
250.10907	1.3
251.08186	3.5
251.11884	7.0
252.12541	1.4
253.13472	1.8
257.13022	1.1
261.12540	1.2
263.08307	5.4
263.11362	0.9
264.09042	9.9
265.09741	7.9
266.10458	1.8
267.11368	2.5
271.10748	1.4
276.09024	1.5
277.09845	5.7
278.10489	3.4
279.11377	34.1
280.11951	5.5
281.12900	3.0
291.11444	8.6
292.12079	4.9
293.12927	2.1
295.10892	5.0
296.11490	1.5
298.12885	1.4
305.09314	1.5
311.10229	1.1
311.13959	2.6
313.11865	2.4
314.92645	1.1
323.10306	9.9
324.10904	3.5
325.11835	3.8
326.13043	1.5
334.15543	1.8
336.11511	1.1
355.13129	2.8
358.15598	1.9
376.16425	2.8
376.20773	1.5
388.16629	3.3
389.17285	1.8
390.07791	1.0
402.18463	10.5
403.18835	2.0
404.19626	2.4
416.20148	1.5
417.20486	1.7
426.18192	1.4
443.18430	2.1
444.19366	8.5
445.19861	3.1
448.18649	8.6
449.19241	1.4
460.18698	1.9
461.19586	4.1
462.20251	4.7
471.17899	3.4
488.18201	12.5
489.19034	13.5
490.19452	2.3
515.28259	2.7
520.20880	24.1
521.21417	2.4
541.24585	10.0
583.25775	8.6
584.26550	1.6
585.23541	28.7
586.23596	5.4
601.26532	6.6
617.26050	35.6
618.26373	4.9
627.24670	23.9
628.24835	4.9
645.25641	100.0
646.25952	19.5
659.27087	16.0
660.27826	2.8
677.28204	43.2
678.28424	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	677.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19410	0.2
58.02976	5.8
59.01382	0.4
59.67813	0.2
60.73431	0.2
61.98829	0.9
63.99261	0.2
65.88506	0.2
67.48737	0.2
67.59888	0.2
69.97971	0.5
70.02975	5.9
72.00903	1.8
72.04549	1.3
74.02472	36.0
74.91708	0.2
75.02801	0.5
77.04295	0.2
94.76977	0.2
96.95985	0.7
98.02477	8.4
107.46682	0.3
116.02692	0.4
116.03547	8.6
116.05058	13.3
117.03873	0.3
117.05415	0.4
130.06612	1.6
137.08710	0.2
142.06615	2.8
159.09273	3.0
161.04819	0.2
183.09273	0.5
186.05569	0.7
188.06204	0.2
201.10335	3.0
203.08255	37.3
204.08585	2.2
227.12642	0.3
243.16029	0.9
245.09290	100.0
246.09621	6.8
247.09789	0.3
289.08258	0.8
454.98380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14789	0.3
55.01872	1.0
57.03452	1.8
59.01379	16.9
61.98829	12.2
69.03463	0.6
71.01382	11.5
71.52121	0.5
72.99320	1.4
73.02950	3.2
75.00870	1.1
83.01396	2.2
85.02951	6.4
87.00868	1.2
88.98776	0.5
89.02448	4.1
95.01398	1.1
96.95995	0.5
97.02969	0.5
99.00891	1.1
99.04536	0.6
101.02444	6.1
103.00372	100.0
104.00713	1.3
111.00877	0.6
113.02449	3.9
116.92875	1.7
119.03519	0.8
121.02986	0.4
125.02454	0.6
131.03487	0.8
136.07655	1.9
143.03458	0.5
149.04587	0.8
150.76624	0.4
171.10268	1.6
183.10107	0.4
191.03558	0.4
209.11900	0.5
213.11189	0.4
215.12888	0.5
281.27106	0.4
295.26447	0.6
319.72919	0.4
326.11685	0.4
341.14066	0.9
384.67719	0.4
399.23764	0.4
483.29651	1.8
485.31311	1.8
488.18176	0.8
501.30658	7.4
502.31116	1.1
520.20844	0.8
522.98926	0.4
525.30615	2.1
531.27765	0.9
599.34241	0.6
614.32654	1.6
617.35455	8.5
618.36011	1.2
618.45599	0.4
645.24286	0.5
659.32404	0.8
677.33875	23.5
678.34369	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	677.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07659	0.1
55.01881	0.9
55.02111	0.2
57.03448	1.0
58.00597	1.4
59.01380	33.0
60.01723	0.2
61.98819	0.7
67.01889	0.3
68.99812	0.5
69.03456	1.9
71.01381	32.4
72.01721	0.6
72.99312	2.2
73.02946	5.5
73.45284	0.2
75.00874	0.9
81.03460	1.3
82.69736	0.2
83.01389	3.6
83.05045	0.2
85.02949	6.9
86.00095	0.3
86.03282	0.4
87.00877	7.7
87.04517	0.2
89.02444	28.4
90.02785	0.5
91.04006	0.8
93.03437	0.3
95.01382	2.2
95.05008	0.2
97.02952	4.7
97.06627	0.2
99.00877	1.9
99.04501	0.4
101.02441	27.0
102.02741	0.5
103.00374	0.3
103.03955	0.3
108.02222	0.2
109.02956	0.6
111.00851	0.3
111.04506	1.0
112.01667	0.4
113.02450	12.5
114.02766	0.4
115.04005	0.6
118.95399	0.2
119.03503	8.2
121.02945	0.4
123.04512	0.2
124.01681	0.3
125.02448	11.4
126.02745	0.3
129.02040	0.2
131.03528	1.8
133.05061	0.7
137.02397	0.2
139.04041	0.8
141.01927	0.7
143.03496	5.4
144.03896	0.2
149.02435	0.3
149.04518	0.9
151.03952	0.3
157.05020	0.3
159.03041	0.2
161.04544	6.7
167.03511	0.7
169.05040	0.4
171.02971	0.4
179.05612	5.7
180.05920	0.3
181.04967	0.3
185.04504	0.7
199.06131	0.6
203.05632	0.5
217.07143	1.0
219.05180	0.2
221.06648	2.5
229.09706	0.2
235.08215	12.6
236.08479	0.6
245.06683	0.8
253.09273	3.2
259.08087	0.2
261.22223	0.6
263.07709	1.7
277.09235	1.0
279.23270	100.0
280.23618	8.9
280.26718	0.4
287.07706	3.6
288.08014	0.3
293.24918	0.4
305.08740	3.7
323.09845	1.6
359.78165	0.2
361.11346	0.5
379.12512	1.2
397.13480	81.6
398.13864	5.7
398.18027	0.1
415.14554	31.7
416.14862	2.7
463.15707	0.2
582.38733	0.2
677.37842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.308
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	6.0
59.01376	0.4
60.23533	0.3
70.02974	5.6
70.10383	0.4
72.00915	1.8
72.04544	1.4
74.02473	38.7
98.02476	8.1
103.00427	0.4
116.03548	10.3
116.05055	12.1
117.05323	0.4
130.06630	1.5
142.06592	3.1
148.11090	0.3
159.09258	3.5
183.04536	0.5
183.09230	0.8
186.05553	0.9
187.03975	0.4
193.22980	0.4
201.10355	3.0
203.08252	38.6
204.08623	2.4
213.05672	0.4
227.03505	1.2
245.09293	100.0
246.09619	6.9
255.02962	8.1
255.05472	0.6
256.03595	0.8
283.02487	15.3
284.03040	3.0
285.04004	10.1
286.04422	0.8
289.08276	0.9
306.07614	1.1
313.11777	0.6
357.10727	1.0
389.13626	0.9
390.87183	0.4
430.09113	2.3
431.09708	5.7
432.10043	0.8
489.10623	1.7
570.77490	0.4
635.05389	0.5
635.16125	10.9
635.25879	0.6
636.16425	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	2.3
69.03445	3.4
71.51534	1.2
84.85696	0.9
89.85110	0.9
96.75037	0.7
99.04525	4.1
121.65951	1.1
163.02756	0.9
179.28235	1.0
275.23792	4.1
277.21716	100.0
278.22134	8.0
301.21686	4.5
319.22720	3.6
335.26910	0.8
401.26938	42.9
402.27359	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	681.1668
Annotation	Isorhamnetin 3-(6'''-acetylglucosyl)(1->3)-galactoside
Peak:m/z	Relative Intensity
50.17391	0.4
59.01373	1.5
65.00333	0.7
69.16688	2.0
69.17117	2.2
71.01380	3.0
72.25186	0.5
73.08206	0.5
83.01382	1.0
89.02463	0.8
98.19717	0.5
99.00832	0.5
101.02444	0.5
107.01419	1.6
108.02196	0.6
111.24361	0.4
115.00381	1.7
116.92818	0.5
119.05021	3.8
120.41260	0.4
121.02963	1.7
125.02393	0.5
133.01434	4.8
134.03746	1.7
136.01665	9.1
149.99591	0.8
151.00359	6.3
151.04002	14.8
156.02193	0.6
161.04556	0.8
163.00404	1.0
163.04002	7.8
164.01135	1.3
182.03769	0.5
184.05348	0.4
186.03287	0.5
193.05049	2.5
198.03236	1.0
199.04016	0.9
201.01840	0.7
202.02606	0.8
213.01956	0.6
214.02725	2.9
215.03473	0.8
216.04111	0.6
226.02716	1.9
227.03534	1.5
229.01338	0.6
241.01320	2.4
242.02179	20.1
243.02911	7.4
244.03432	0.8
245.00848	4.8
254.02223	0.8
255.03006	1.8
257.04459	1.6
270.01675	30.0
271.02399	11.4
272.03040	1.5
273.00558	0.8
279.05081	0.7
283.02518	0.9
284.03009	0.5
285.04044	11.9
286.04617	2.0
298.01175	11.3
299.01971	9.3
299.05350	0.7
300.02722	27.3
301.03162	1.4
311.05576	0.5
313.03522	100.0
314.04129	17.5
315.05084	82.2
316.05408	6.0
327.05032	1.7
339.04950	0.9
342.10938	0.9
357.06409	5.6
357.13376	16.3
357.17953	0.8
358.13861	1.7
371.09668	1.8
372.10181	0.7
381.05972	0.8
461.07214	3.1
462.07275	0.6
476.09555	18.3
477.10336	24.8
478.10565	2.7
519.11426	39.1
520.11780	5.5
561.12256	3.0
591.13312	0.5
681.16650	57.0
682.17041	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	681.167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50656	0.7
57.03428	1.2
59.01376	13.5
69.60934	0.7
71.01380	5.0
71.24522	1.1
72.99320	1.5
75.00874	17.8
76.01197	0.7
78.21760	0.6
85.02953	1.9
87.00881	3.9
89.02434	1.4
93.03448	1.2
99.00865	5.2
103.00372	55.7
115.00368	1.6
117.03490	1.0
119.05022	22.0
120.05331	1.0
121.02987	1.1
129.01939	12.3
132.05885	1.0
133.06615	0.8
145.02946	12.6
145.06612	0.8
146.03362	0.7
149.06007	0.8
159.03014	1.7
159.04503	1.2
161.06079	7.6
163.04005	20.3
173.06042	1.4
175.02467	3.0
177.04044	2.6
177.05576	2.0
187.03981	7.2
188.12515	0.8
191.07159	2.6
193.03522	11.0
195.05089	100.0
196.05432	2.3
205.05162	1.4
214.46193	0.7
217.05031	1.3
231.03058	0.8
235.06107	21.2
236.06522	1.8
242.02034	0.7
242.11957	0.6
277.07230	2.2
285.03558	0.8
300.02600	1.1
313.03531	3.6
315.05127	2.5
321.06207	1.9
339.07172	25.0
340.07596	3.0
341.08719	15.0
342.09283	0.9
360.89200	0.7
477.10617	1.9
519.11487	1.7
664.67975	0.8
681.17010	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	681.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55531	0.2
56.53732	0.2
57.03437	0.2
57.43528	0.2
57.80188	0.2
59.01376	0.6
64.95628	0.2
70.22085	0.7
71.01379	2.9
73.02955	0.7
83.01340	0.2
83.18421	0.2
85.02950	1.5
89.02451	0.2
93.03481	0.4
94.24958	0.3
95.01405	0.4
99.00871	0.4
101.02457	1.1
103.00362	0.3
105.25393	0.2
108.02194	0.8
109.02972	0.2
113.02451	1.0
115.00382	0.3
116.92876	1.8
118.17391	0.2
119.05041	0.4
121.02946	2.6
122.03750	2.0
123.00867	0.3
124.01668	0.3
133.01431	0.6
134.03758	0.7
136.01659	53.1
137.02112	1.4
141.30559	0.2
146.81317	0.2
146.84599	0.2
147.04520	0.2
149.06032	0.4
151.04005	89.6
152.04350	3.5
154.04190	0.3
156.02118	1.2
159.03157	0.3
159.04521	0.6
160.05295	1.0
161.02463	0.3
161.04543	3.5
161.42227	0.2
162.03217	0.7
163.04037	1.0
175.03989	0.5
175.07619	1.3
176.04744	0.4
177.05527	0.8
178.02771	0.2
179.03496	0.3
182.03751	0.3
186.03203	0.2
188.04793	0.3
189.05472	0.4
190.06337	0.4
193.05005	0.3
198.03264	0.4
203.07150	0.3
215.03546	0.3
226.02702	0.7
242.02234	0.9
243.02783	0.3
255.03009	0.3
267.06754	0.2
270.01700	1.7
271.02390	1.8
298.01178	4.5
299.01874	2.7
300.02710	3.2
311.12881	0.6
313.03537	7.9
314.03961	1.3
315.05060	4.0
316.05374	0.4
342.11035	3.9
343.11536	0.4
357.13416	100.0
358.13763	10.7
372.10257	0.3
448.78445	0.2
476.09509	1.8
477.10336	1.9
478.10818	0.3
519.11316	2.1
519.18750	2.5
520.11700	0.4
520.19098	0.5
561.12671	0.4
681.16656	7.4
682.16882	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.9
58.75055	0.7
59.01379	5.1
71.01009	1.2
71.01379	13.2
71.14497	1.0
72.99306	2.1
75.00870	21.2
80.17825	0.7
85.02938	3.4
87.00879	4.6
89.02435	2.6
89.03721	0.8
99.00876	9.0
103.00319	0.8
111.00890	1.0
117.03482	0.9
119.05027	16.2
120.05331	1.2
129.01949	20.5
131.03473	1.4
133.06583	0.9
139.28883	0.7
141.01910	0.8
143.16336	0.8
145.02925	5.4
159.02979	2.4
159.04434	0.8
160.05273	2.9
161.06053	2.5
163.04007	23.5
164.04680	1.1
175.07635	3.1
177.04082	10.2
177.05550	1.7
178.06429	1.0
195.05092	58.0
196.05386	1.5
198.32646	0.9
205.05077	1.4
269.66013	0.8
318.39822	0.8
323.07944	0.8
329.01324	0.8
329.13934	18.7
330.14368	1.6
341.08743	100.0
342.09097	9.0
359.15036	5.6
388.88412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00990	0.5
52.14262	0.4
56.62946	0.6
57.03439	1.9
59.01377	5.3
68.97958	0.5
68.99809	1.0
69.03448	0.9
69.78860	1.8
71.01010	0.9
71.01381	12.9
72.99311	1.0
75.00870	16.0
83.01361	0.7
85.02950	2.7
87.00868	3.7
89.02441	1.8
92.02601	0.5
97.02944	0.8
99.00883	8.3
103.00372	1.2
107.38550	0.5
111.00865	1.1
119.05020	18.0
120.05346	0.9
129.01945	16.9
130.02220	0.5
131.03491	1.3
133.06555	0.8
134.03714	1.0
145.02956	3.5
159.02972	1.8
161.06076	2.2
163.04004	26.2
164.04385	1.2
165.04004	0.6
177.04039	11.4
177.05536	0.9
193.03421	0.6
193.05061	1.1
195.05092	46.5
196.05389	1.2
205.04996	1.5
241.36729	0.6
323.07565	0.9
341.08749	100.0
342.09113	8.7
358.13940	0.6
431.05795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39318	0.7
57.03449	4.1
58.00593	0.9
59.01380	9.8
68.99821	0.8
69.12271	1.7
69.12680	5.7
71.01378	14.7
72.99301	4.0
73.02964	1.7
75.00872	34.3
83.01397	2.3
85.02958	9.0
87.00867	5.4
89.02433	6.6
97.02935	1.1
98.19910	1.3
99.00878	10.6
101.02435	3.4
103.00349	5.2
104.00715	1.1
111.00903	1.1
113.02457	1.3
115.00352	1.7
116.92787	0.7
119.05029	32.9
120.05363	1.9
121.02973	1.0
129.00970	1.5
129.01945	29.8
131.03540	0.8
133.01433	4.8
134.03732	1.4
135.04457	1.8
136.01639	1.7
145.02956	2.0
151.03983	3.4
157.51324	0.7
159.02979	3.0
161.06004	1.7
163.04010	59.0
164.04326	4.2
175.02490	1.1
177.04065	11.6
177.05573	1.2
193.05119	1.3
195.05110	100.0
196.05447	4.0
197.05527	1.6
205.05215	0.7
260.22250	0.8
300.02356	0.8
314.03760	1.0
315.04416	1.2
327.08746	1.1
329.13950	2.7
339.07281	2.0
341.08755	97.2
342.09146	8.9
343.09268	2.4
359.14822	2.9
387.22263	0.8
404.35291	0.8
417.90820	0.7
683.18890	1.2
683.31085	12.0
684.31836	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
59.01374	3.4
61.77333	0.5
69.70240	1.4
69.70644	1.0
71.01389	2.2
72.99297	1.0
73.02965	0.4
75.00874	18.6
81.76785	0.5
83.01398	0.6
85.02935	3.2
85.86338	0.4
87.00867	3.7
89.02444	1.9
99.00874	5.0
101.02475	0.7
103.00377	1.3
111.00903	0.4
119.05031	23.5
120.05367	1.4
129.01945	16.2
140.49368	0.5
145.02913	0.5
154.12375	0.4
159.02971	1.8
161.01740	0.4
163.04010	46.9
164.04366	2.3
177.04070	3.4
195.05098	100.0
196.05446	3.1
201.65361	0.4
258.79929	0.5
329.13919	1.3
339.06891	0.5
341.08746	28.7
342.09122	2.2
671.26727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72950	0.8
57.03452	1.4
57.41084	0.9
59.01379	20.0
61.98827	4.6
69.03457	1.0
71.01380	51.4
71.51985	1.3
72.99309	2.0
73.02952	1.9
75.00873	1.8
83.01369	3.0
85.02490	1.2
85.02943	7.6
87.00874	4.9
87.04501	6.1
89.02466	5.3
93.03467	1.1
96.95980	1.8
97.02953	1.6
99.00842	1.0
101.02434	6.0
103.00371	11.4
113.02454	4.8
115.00381	4.3
117.03458	3.6
119.05027	100.0
119.51196	0.9
120.05367	3.9
121.02948	1.8
131.03506	7.9
132.05833	1.0
133.06581	6.0
137.09705	4.1
139.07611	2.0
145.02945	16.3
149.04677	0.9
155.10779	28.6
156.11124	1.6
161.06070	9.0
163.04005	52.3
163.11284	1.1
164.04308	1.6
169.12361	1.5
175.02467	43.5
175.04004	2.2
176.02892	1.3
179.10739	1.7
181.08731	2.6
181.12346	1.7
183.10229	1.5
187.04039	3.3
191.07133	1.2
191.10747	2.1
192.21193	0.8
193.12346	1.3
195.10265	2.0
199.09756	16.4
205.05014	5.8
213.11287	1.0
217.04936	0.9
223.09663	1.4
225.11292	1.3
235.06161	1.7
241.10831	4.3
243.12360	2.4
255.12329	1.7
260.38754	1.0
283.11819	7.6
285.04099	1.3
302.50754	0.9
335.71707	1.0
343.13852	9.1
387.16129	1.2
507.18658	35.0
508.18881	4.6
521.33496	1.7
535.31329	2.2
549.19904	4.1
551.21814	1.9
561.19672	3.5
579.20789	5.9
580.20715	1.5
593.19006	1.8
671.01288	1.1
679.58380	1.3
683.21899	23.9
683.38165	21.2
684.22150	4.8
684.38446	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46547	1.2
57.03445	1.5
58.00614	1.5
59.01377	23.0
71.01387	6.7
71.52348	1.9
72.99300	1.3
73.02951	2.9
75.00883	2.1
83.01394	2.1
85.02958	3.3
85.46511	1.1
87.00879	2.4
87.04514	6.3
89.02461	2.0
93.03461	2.8
97.02974	2.5
98.37769	1.0
101.02455	3.2
103.00372	100.0
104.00724	1.9
111.00867	1.7
115.00359	5.3
117.03461	14.0
117.47974	1.2
119.05029	64.7
120.05347	2.0
121.02934	7.1
122.06121	1.6
131.05023	2.1
132.05838	3.2
133.01471	2.0
133.03027	1.4
133.06584	7.5
135.04500	6.1
137.09718	7.5
145.02948	91.9
146.03348	3.5
150.50153	1.2
151.00404	1.2
151.11266	1.2
155.10789	35.1
156.11064	1.3
158.03691	1.3
159.04533	6.8
161.06079	31.8
162.06343	1.5
163.04005	45.5
163.11267	1.9
164.04309	2.8
165.01913	17.3
165.09239	1.4
169.12326	1.9
175.02455	3.4
177.05525	2.6
179.03394	1.4
179.10754	4.3
181.08752	3.0
187.04008	21.4
191.07123	8.5
191.10773	2.8
195.10179	2.2
199.09740	32.0
205.05055	11.2
213.11266	2.3
217.05009	8.5
235.06099	30.2
236.06479	3.5
239.12907	7.1
241.10831	9.8
242.11258	1.2
253.10689	2.2
253.13155	1.2
255.12413	3.2
281.13907	5.1
283.11884	14.4
295.08087	6.6
343.13940	25.7
344.14200	2.5
370.48117	1.2
465.62708	1.2
507.18716	34.0
508.19067	6.0
523.22058	2.6
549.19830	8.6
561.19696	21.3
562.20166	3.2
579.20776	50.0
580.20959	10.4
608.20538	1.9
639.22821	1.8
652.19714	3.7
683.21912	30.5
683.33118	2.6
684.22095	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01379	37.8
60.01700	0.9
61.98822	2.8
69.03460	1.2
70.06999	3.9
71.01379	11.1
72.05012	0.8
72.99281	0.9
73.02941	2.4
83.05032	1.3
85.02952	3.2
87.00856	4.9
89.02425	5.0
95.01405	0.9
95.05030	0.9
97.02960	1.9
97.06620	0.8
98.65324	0.9
101.02441	8.6
109.06588	1.1
111.08167	1.4
113.02480	5.0
119.03473	1.2
121.06585	0.9
125.02467	1.6
145.05060	1.4
155.67252	0.9
161.04559	2.1
163.11192	1.0
171.10262	8.5
203.14369	1.0
211.13487	1.3
225.14955	0.9
235.08202	7.4
239.16434	1.7
253.09219	1.7
275.16492	1.2
275.20023	1.1
275.47620	0.9
277.18134	1.9
293.21225	3.8
315.27039	1.7
325.25412	5.0
341.24899	2.9
343.22543	1.0
343.26230	4.9
351.23468	2.0
359.25824	6.6
361.27274	1.8
369.24280	7.8
377.26956	1.3
387.25412	32.8
388.25644	3.3
405.26437	19.4
406.26892	2.9
416.08380	0.9
479.30380	2.0
595.34821	2.5
605.32886	1.2
623.34314	100.0
624.34747	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	683.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48111	1.6
59.01379	39.6
61.98821	5.1
70.62684	3.7
71.01392	9.3
73.02943	2.2
74.12047	1.6
75.41461	1.4
83.01386	2.7
83.05025	2.4
85.02961	3.7
87.00867	4.0
89.02429	6.1
101.02428	5.8
109.06558	1.9
113.02457	3.2
145.05075	1.8
161.04456	2.9
171.10277	26.5
179.05573	2.3
235.08154	6.0
253.09331	3.1
275.20096	2.3
277.21686	2.5
293.21237	12.4
294.21991	1.7
305.20468	1.5
313.25345	1.6
315.26895	1.7
317.28363	1.8
325.25253	5.4
341.24915	2.7
343.26431	5.3
351.23206	2.0
359.25891	4.5
369.24216	9.0
387.25372	30.4
388.25537	3.6
405.26462	16.1
595.34601	3.5
623.34302	100.0
624.34723	13.9
628.26978	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64063	0.2
52.77855	0.3
55.01873	0.3
57.03424	0.5
59.01378	3.4
61.98822	1.6
71.01379	4.1
71.51562	0.4
72.99341	0.3
73.02937	1.5
75.00866	0.9
80.02672	1.4
81.03454	1.5
83.01370	0.8
83.05022	6.1
84.02174	1.9
85.02942	1.6
87.00891	0.3
88.98788	0.6
89.02441	1.1
95.05044	0.5
96.96007	0.8
99.00862	0.6
99.44028	0.3
99.92559	0.4
100.81499	0.2
101.02439	3.3
103.00346	0.6
113.00695	0.3
113.02451	1.5
116.92843	1.4
119.05025	0.5
125.02455	0.6
125.06076	0.7
126.17529	0.3
130.45111	0.3
131.03481	0.4
135.08128	0.7
147.11755	0.3
161.04533	0.6
163.04010	0.4
163.11282	5.4
165.12830	3.2
166.98174	0.3
175.02573	0.3
181.12349	0.7
191.10760	1.2
209.11812	100.0
210.12140	6.1
224.06894	0.3
227.12872	56.3
228.13217	3.5
259.15442	4.5
291.18155	1.7
299.79108	0.3
423.22354	11.4
424.22760	1.4
522.18713	0.3
668.47522	0.3
683.38428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88436	0.2
51.15228	0.2
51.25458	0.3
51.64735	0.2
57.03450	4.3
58.00583	0.4
59.01379	6.5
61.98817	0.4
62.59647	0.3
66.65903	0.3
69.03463	0.5
70.25874	0.4
71.01385	4.5
71.04975	0.3
72.99325	0.3
73.02943	0.9
80.02694	0.4
83.01381	0.5
83.05009	0.8
85.02956	0.9
87.00918	0.5
89.02451	4.3
95.01383	0.4
95.05029	0.9
97.06585	13.3
98.06893	0.4
101.02444	3.4
110.53823	0.3
113.02454	2.3
119.03472	0.5
123.08166	7.8
125.02461	0.3
125.09721	100.0
126.10051	3.3
143.03488	0.7
143.10782	1.4
161.04544	0.9
167.10764	0.4
169.08688	2.0
179.05603	0.4
187.09753	71.9
188.10094	3.6
201.11320	0.5
211.09801	0.6
229.10869	0.3
253.09290	1.8
261.13419	1.0
277.21729	14.8
278.22095	1.1
405.17654	4.7
406.18115	0.3
423.18692	12.8
424.19293	1.3
521.35687	0.5
581.75476	0.3
683.40088	92.4
684.40448	20.3
684.49487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.7
59.01382	3.7
69.03465	0.6
69.91801	1.7
71.01378	3.6
73.02945	1.0
80.02685	0.5
81.03526	0.4
83.01377	0.7
83.05040	1.1
85.02943	0.8
85.95155	0.3
87.00876	1.7
89.02451	1.6
89.07890	0.4
95.01366	0.7
95.05016	1.2
97.06590	13.6
101.02454	3.4
101.88993	0.4
113.02440	1.2
123.08169	7.1
125.09722	69.4
126.10107	2.7
143.10747	0.5
145.05078	1.9
161.04556	0.9
169.08684	2.3
187.09749	28.7
188.10103	1.1
235.08237	1.5
253.09352	1.9
277.21716	33.3
278.22006	2.9
302.12244	0.4
311.53345	0.5
370.86069	0.4
382.15063	0.4
405.17752	3.9
423.18622	4.4
619.20667	0.5
683.40094	100.0
684.40466	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	685.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.0
58.00575	0.6
59.01373	11.1
59.76259	0.6
61.98822	4.1
69.03448	2.1
70.63715	0.6
71.01382	23.6
71.38884	0.8
72.99308	2.5
73.02943	2.0
75.00866	12.3
83.01395	1.4
85.02943	5.5
87.00884	4.3
87.04509	3.4
89.02458	3.6
93.03449	1.0
97.02949	3.4
99.00880	8.0
99.04525	0.8
100.48691	0.7
101.02433	3.1
103.00391	1.1
111.00885	1.2
113.02419	2.2
116.92872	0.7
117.03461	2.7
119.05024	57.5
120.05382	3.2
121.02937	1.1
125.05972	0.7
129.01939	15.0
131.03542	1.4
132.05798	0.9
133.06598	5.2
134.03699	0.7
137.09700	2.4
139.07678	1.0
141.01927	3.1
145.02956	15.1
146.03287	1.0
155.10777	18.1
156.11031	0.8
159.02962	2.3
159.04294	0.7
161.04721	1.2
161.06062	7.3
163.04007	38.4
164.04337	1.4
169.12338	1.2
177.04041	13.8
179.10757	1.7
181.08723	1.9
191.10799	0.9
192.74329	0.8
193.12418	0.8
195.05096	11.3
195.10382	1.0
199.09746	9.7
205.05086	5.6
213.11317	0.8
241.10808	2.9
247.39539	0.8
253.10675	0.8
255.12384	1.5
267.63144	0.7
279.27213	0.7
283.11877	4.0
285.04102	0.9
323.07550	1.6
341.08517	4.4
343.13925	2.1
356.69226	0.8
460.10995	0.7
507.18771	10.8
508.18985	1.5
509.19406	0.8
609.21918	1.0
625.31946	1.2
643.33783	1.7
667.22333	7.5
668.22333	1.6
685.23474	100.0
686.23749	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18299	0.9
57.03430	3.1
59.01367	5.9
59.01617	1.0
61.98825	2.8
71.01392	4.9
73.13146	1.0
83.05026	1.2
89.02445	3.7
91.98486	1.0
95.05019	1.9
97.06599	13.7
101.02419	3.6
113.02411	3.1
119.03444	1.3
122.54291	1.0
123.08178	8.0
125.09720	93.2
126.10042	4.6
169.08690	2.0
187.09738	60.9
188.10092	1.2
250.84711	1.0
253.09235	1.9
279.23224	19.8
280.23547	1.7
405.17627	2.6
423.18646	11.2
685.41608	100.0
686.41986	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	686.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73115	0.7
59.01071	1.3
59.01378	27.5
59.38118	0.7
64.09694	0.9
67.58569	0.6
71.01376	5.7
74.00631	0.8
75.00858	1.4
78.78475	0.7
85.02971	1.4
87.00890	3.7
93.03448	2.0
98.19892	2.9
103.00373	100.0
113.02481	0.7
115.00374	5.5
117.03452	3.1
119.05025	25.8
120.05301	1.2
121.02968	1.9
127.00379	1.4
132.05754	0.8
133.01443	0.8
133.06572	2.4
145.02953	21.0
145.06624	1.0
147.04541	1.8
149.06142	1.5
159.04536	2.4
161.06071	15.5
163.04004	24.7
164.04352	1.4
173.06097	1.8
175.02495	6.7
177.05548	4.9
187.04007	17.3
191.07117	6.8
193.03566	12.2
205.05042	4.9
217.05087	1.6
229.85664	1.0
235.06116	47.9
236.06487	2.1
277.07199	1.7
289.71381	0.9
302.12396	1.5
321.06125	2.6
339.07187	56.0
340.07507	3.8
353.06210	0.9
712.13904	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34674	0.9
56.66895	0.9
59.01378	9.4
60.15084	1.1
61.98832	9.2
69.15742	2.3
69.16148	8.7
71.01385	4.3
73.02917	2.1
85.02938	2.0
89.02444	3.1
96.96004	1.4
98.20693	2.6
101.02405	2.0
103.00349	1.2
106.06615	4.2
108.04553	2.7
108.08189	100.0
109.08533	2.6
113.02430	1.5
116.05022	1.1
116.92814	2.5
119.04999	1.3
122.05359	1.2
122.06102	6.3
130.08702	1.3
132.04538	9.4
136.07642	2.7
144.04559	5.5
146.06104	1.1
147.03215	1.2
150.05591	8.5
150.06828	5.8
150.09235	5.0
150.62347	1.3
151.05923	1.5
152.07170	39.9
153.07495	1.2
158.02446	5.8
160.04028	11.3
161.04337	1.2
162.05591	3.3
163.07736	1.3
164.07111	1.5
166.08711	1.5
172.03973	3.0
174.05649	2.3
174.84715	1.1
176.03493	4.9
176.07036	1.2
179.10759	3.8
190.05092	34.1
191.05530	1.5
192.06622	4.1
198.50783	1.2
202.05103	2.7
203.05785	2.9
204.06598	2.4
223.08618	5.1
224.09436	1.5
227.08214	1.4
227.11876	1.5
236.09436	1.9
237.10303	1.7
238.11047	1.5
239.08163	1.5
239.11871	11.0
240.10284	4.5
241.09837	4.8
250.07593	1.2
251.11870	6.6
252.10030	1.4
253.06250	6.7
253.09796	3.2
253.13493	2.6
257.13235	1.4
259.14563	2.6
262.07489	1.3
264.55701	1.1
265.09906	3.9
266.07751	1.7
267.07700	9.5
268.08472	4.7
268.12021	2.8
277.09576	3.4
279.07782	2.4
279.11395	2.6
280.08551	6.3
281.09213	6.9
281.12827	3.1
283.10858	50.8
284.11118	4.3
293.09244	2.5
295.10886	17.8
296.11316	3.3
297.12354	5.7
309.08829	5.6
311.13947	11.3
312.14694	1.7
313.15378	1.4
315.13724	1.4
321.08676	1.9
323.10593	1.2
337.11670	2.0
338.12381	1.1
341.11423	1.4
355.12839	3.0
360.20657	4.0
376.16324	2.7
376.39081	1.3
386.18628	3.3
388.16687	3.6
402.18262	8.7
403.18451	1.2
404.19760	62.2
405.20007	8.2
420.19406	1.5
430.17667	20.6
431.17978	3.3
436.22476	3.9
448.18729	73.1
449.19058	9.6
462.20297	9.6
474.16638	11.0
475.16965	2.0
480.21387	80.2
481.21698	12.9
492.17822	12.2
504.21683	1.8
506.19305	28.7
507.19464	3.5
522.22565	1.5
524.20380	21.5
525.20648	4.2
548.20685	3.2
566.21277	6.9
610.23926	6.0
611.24188	1.6
627.34729	1.4
654.23029	75.7
655.23102	13.6
668.23804	1.4
686.25580	75.0
687.25867	13.7
687.39282	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	686.339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
65.72254	0.2
68.85484	0.2
69.72940	0.3
69.86093	0.7
69.86517	0.8
71.40604	0.2
115.97953	0.3
135.98721	0.3
171.10353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.96212	0.4
71.42515	0.8
97.92588	0.4
110.79543	0.4
115.30527	0.5
231.98993	0.5
266.04861	0.4
380.84235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52914	0.4
59.01358	1.3
61.98821	0.8
62.28674	0.4
71.51899	0.4
72.99323	0.5
73.31206	0.4
93.03461	1.1
98.28255	0.4
103.00378	0.6
103.67950	0.4
107.01373	0.6
119.05085	0.5
121.06632	0.9
135.04494	0.6
136.72569	0.5
136.87012	0.4
137.02449	1.2
137.09724	21.6
138.07599	0.4
138.10010	0.6
149.09781	0.5
151.00395	2.3
151.11374	0.5
159.04532	0.4
175.11275	0.8
178.99773	0.8
211.04080	0.6
219.10248	1.6
227.03491	28.4
228.03857	2.5
229.05078	1.6
239.12881	39.4
240.13129	0.5
255.02979	38.7
256.03561	6.0
257.04532	1.0
271.02457	1.6
284.03259	48.6
285.03958	18.2
286.04221	1.2
300.02802	3.6
301.03448	2.1
327.05222	0.6
447.09293	100.0
448.09583	11.5
525.20105	0.6
699.76715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30530	0.5
57.03431	1.6
59.01377	5.4
59.92500	0.6
61.98822	5.5
71.01388	8.9
71.51634	0.9
73.02937	2.5
80.02682	0.6
81.03467	0.7
81.69927	0.6
83.01375	2.2
83.05022	2.1
85.02960	3.4
89.02451	2.6
93.03451	0.7
95.05023	1.7
97.02949	9.4
97.06596	0.9
99.00883	0.9
101.02437	3.9
103.00361	1.4
105.07094	2.2
107.05021	2.6
108.05807	6.0
109.02955	4.2
109.06597	3.0
111.04519	6.8
111.08135	2.0
113.02428	2.3
113.06091	9.0
116.92847	1.6
119.03510	0.7
119.08672	2.4
121.06601	2.6
122.03743	7.5
123.04533	2.3
123.08167	7.2
124.01647	0.7
124.05251	0.9
125.02423	2.3
125.06081	10.6
125.09651	0.8
134.03731	0.6
135.08157	1.8
136.05295	8.7
137.02455	0.8
137.06116	4.6
137.09755	0.9
138.06877	11.6
139.00372	0.6
139.07645	28.4
140.07996	1.1
148.05328	4.4
149.06123	3.1
150.06880	3.5
151.00371	2.6
151.07643	64.8
152.04794	6.0
152.08435	25.8
153.09213	10.6
159.11769	2.6
159.33325	0.7
161.04570	1.2
161.09669	3.8
163.07640	8.4
164.08420	1.3
166.02338	0.7
167.07112	4.0
169.01410	1.0
169.68546	0.6
170.05852	1.3
171.08037	0.8
175.07637	0.9
179.05658	0.8
179.10725	2.0
185.09628	0.9
186.10445	1.4
189.09190	1.9
201.12863	17.8
202.13213	1.6
203.10742	8.6
204.11549	34.0
205.11888	1.5
219.13893	57.0
220.14249	3.0
263.12869	100.0
264.13275	7.7
291.18137	1.8
375.27414	3.6
397.87918	0.8
423.22330	15.0
424.22870	1.2
450.29327	0.6
507.33609	0.6
627.34143	2.4
645.34808	1.5
668.01404	0.6
687.39008	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	688.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
59.01380	6.4
68.99820	1.0
69.03469	0.8
71.01382	15.6
71.50655	0.7
72.01696	0.5
72.99290	1.2
73.02911	1.0
75.00872	16.1
77.56044	0.4
83.01358	0.7
84.79755	0.4
85.02942	3.5
87.00878	4.6
89.02457	1.9
93.03458	0.6
97.02958	0.9
99.00874	7.2
101.02444	0.8
103.00367	2.7
107.01965	0.6
111.00845	0.9
117.03468	1.0
119.05025	20.5
120.05354	1.4
121.02997	0.7
129.00960	0.8
129.01939	15.9
131.03497	1.2
133.06555	1.1
134.03745	10.6
135.04482	1.8
145.02968	3.6
149.06082	0.9
150.51221	0.6
159.02985	1.2
161.06042	2.3
163.04004	24.9
164.04333	1.9
175.02451	1.1
177.04068	9.3
177.05566	0.8
179.03470	2.7
180.40012	0.5
182.35995	0.5
193.03503	1.3
193.05042	13.0
194.05370	0.7
195.05093	47.3
196.05441	1.2
205.05054	1.6
206.05351	0.5
222.39177	0.5
228.73901	0.5
265.07074	1.0
288.15076	0.5
323.07626	0.9
339.07339	1.0
340.07693	1.0
341.08746	100.0
342.09073	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	689.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69274	0.4
57.03411	0.6
59.01382	4.0
61.98832	5.3
71.01389	1.9
85.02947	0.6
88.98798	0.9
89.02442	0.8
94.02986	0.7
96.96001	3.4
99.00877	0.9
99.92599	2.8
101.02431	1.1
108.08194	0.6
113.02454	0.9
115.92067	3.2
116.81425	0.4
116.92857	10.2
117.92842	0.7
121.05336	0.5
122.06146	0.9
134.06100	0.7
136.03987	0.5
136.07680	5.8
137.08041	0.6
143.49684	0.4
171.10294	2.5
181.12369	0.8
190.05164	0.5
199.13348	1.7
200.10872	0.6
207.10260	1.0
209.11804	2.6
213.06714	0.9
214.07259	3.0
215.08243	0.5
216.10406	0.9
224.13318	0.5
225.11400	2.6
227.12546	1.4
228.09084	0.5
229.09796	6.1
230.10161	0.7
231.07661	0.7
231.11407	1.1
243.11328	12.4
244.08511	2.1
244.12071	6.5
245.09320	2.7
255.11438	4.8
257.09323	27.9
258.09790	2.2
259.10870	10.1
260.11578	3.2
260.81418	0.5
271.10892	0.8
272.11679	15.9
273.12280	2.4
275.10385	14.5
276.10614	1.2
289.11911	0.6
290.12723	10.8
291.13104	1.3
293.09320	1.1
303.09787	1.1
304.10565	0.6
316.10583	5.2
331.13058	3.0
334.11691	7.2
335.12036	0.7
339.13553	0.7
349.14038	100.0
350.14374	8.5
374.56946	0.5
381.92834	0.6
442.17877	1.0
486.16919	1.6
567.22418	2.1
568.23181	0.6
581.23669	2.4
613.26685	4.3
614.26782	1.0
629.35541	0.9
647.50555	0.5
657.25299	3.9
671.33472	0.5
689.34705	5.1
705.44830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72116	0.3
56.34909	0.3
57.03458	0.7
59.01378	5.1
60.78412	0.4
61.98830	7.6
64.27808	0.4
64.48848	0.4
69.24825	3.5
71.01375	3.1
71.76450	0.4
80.05094	0.4
82.02985	0.8
83.01401	0.4
85.02972	0.9
89.02449	0.9
94.02988	11.7
96.96017	1.3
99.00912	0.7
99.92592	1.0
100.63486	0.4
101.02442	1.4
106.06657	1.1
108.04546	0.7
108.08198	6.0
115.92069	1.0
116.92852	3.9
121.05333	6.2
122.02489	0.4
122.06127	0.6
124.04003	1.3
125.02437	0.8
130.06596	0.4
134.06105	3.0
135.03265	0.6
136.07680	100.0
137.08031	3.7
138.05603	3.7
150.01956	0.8
150.05569	0.5
152.03528	1.1
153.04327	3.3
156.06645	0.5
163.11295	0.7
171.10333	2.1
181.12343	0.6
183.13960	1.9
186.05571	1.3
197.11839	0.6
199.13374	0.9
201.11368	0.6
207.10252	1.4
209.11830	4.1
220.52435	0.4
225.11147	1.4
227.12863	1.6
235.08659	1.7
236.09335	0.6
237.10307	2.4
239.12029	0.4
243.12352	0.8
247.08717	0.7
249.06607	0.7
249.10358	1.9
250.07413	4.3
251.08235	1.8
252.08876	0.4
253.09290	0.5
262.07446	1.0
263.08221	4.6
264.08914	0.9
265.09818	10.4
266.10248	0.9
275.08258	0.7
276.08957	1.3
276.32260	0.4
277.06454	0.7
277.09766	6.4
278.06982	7.9
278.10104	0.7
279.07288	1.2
279.10959	0.4
290.06818	0.9
291.07751	5.8
292.08405	1.3
293.09323	31.0
294.09616	2.9
305.09317	12.5
306.09848	3.3
307.10724	0.9
325.11758	1.4
330.12463	0.4
337.08304	2.0
337.11603	0.4
338.08893	0.5
342.12540	0.9
354.12219	0.5
356.10089	0.4
356.13907	0.5
370.11810	1.1
372.13400	0.8
374.18677	1.0
380.39304	0.4
382.11795	0.6
384.13422	1.0
385.13721	0.5
386.10889	0.8
386.14944	1.3
392.07846	0.4
398.14999	1.1
399.15546	1.2
400.16660	0.7
401.17679	0.5
402.14316	1.1
404.16278	1.0
412.17078	2.1
413.17282	1.1
414.14255	1.2
414.18649	6.5
415.18472	0.9
417.13214	0.6
426.14359	1.6
427.14859	1.3
430.13742	0.9
432.15756	5.0
433.15750	1.3
440.15912	0.9
441.16861	1.9
442.17703	21.6
443.17957	3.6
444.15475	2.7
445.16415	1.0
456.19275	2.5
458.16855	1.6
459.17523	0.7
464.17856	1.2
468.15552	2.7
469.16241	0.4
473.19244	0.8
474.20248	3.6
485.15793	1.2
486.16696	31.8
487.17108	4.4
488.21854	3.7
489.22220	1.4
490.22714	0.8
500.17917	0.6
501.18954	6.0
502.19263	1.2
518.19208	3.4
519.19519	0.6
521.22003	0.6
532.21143	2.2
533.21606	2.7
539.22839	0.5
540.23407	0.7
553.24707	2.6
563.22583	0.8
566.20837	0.5
581.23993	16.6
582.24176	2.9
595.24744	0.5
597.22540	0.6
613.26672	13.1
614.26733	2.7
625.23016	9.1
626.23016	1.7
629.34717	1.0
645.28925	3.8
646.29926	0.6
657.25641	78.5
658.25928	14.6
671.31274	0.5
689.27435	18.1
690.28058	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.8
58.00587	1.5
59.01379	44.9
61.98831	32.9
71.01009	2.6
71.01382	35.6
71.52277	1.7
72.99310	3.0
73.02945	4.4
76.39478	1.2
81.03460	1.9
83.01385	2.9
83.05032	1.8
85.02957	10.4
86.45202	1.2
87.00880	2.8
88.98794	2.0
89.02450	22.0
94.03012	1.2
95.01431	3.1
95.05022	1.3
96.96026	8.6
97.02953	1.6
99.00892	4.3
99.04531	3.8
99.92593	11.2
101.02432	20.1
103.00346	2.9
109.02987	1.1
109.06604	1.9
111.00793	1.5
113.02448	14.0
113.06099	1.3
115.92087	18.6
116.92860	53.1
117.83080	1.5
117.92866	3.8
119.03516	6.8
119.04993	2.0
122.06080	2.0
125.02446	2.9
134.03749	1.4
134.06136	2.8
136.07701	8.2
143.03471	2.5
161.04570	3.4
163.11295	2.6
164.56810	1.2
171.10277	16.0
179.05635	2.4
181.12320	1.8
183.13924	2.6
197.11893	1.8
199.13380	3.9
201.11331	1.6
207.10316	3.5
207.93878	1.2
209.11812	18.1
211.13615	1.4
213.06631	2.9
214.26854	1.2
215.08238	2.0
225.11324	11.2
227.12843	6.5
229.09914	2.5
243.12077	2.2
244.12289	2.0
245.09268	2.6
249.69057	1.1
253.09285	3.4
255.11560	1.4
257.09323	10.4
259.10919	2.7
265.09805	2.0
272.11624	2.7
275.10303	1.5
287.10339	1.9
288.11099	3.3
290.12518	1.6
293.09253	2.6
331.12863	11.2
338.67142	1.4
349.14041	36.2
350.14383	4.0
442.17953	1.6
486.16739	1.3
567.22766	8.7
568.23193	3.9
581.23688	1.6
609.23590	3.0
613.26617	2.2
617.30927	1.5
629.35425	100.0
630.35797	19.4
645.25226	2.2
647.36328	2.3
657.25604	11.4
658.25458	1.7
671.33270	1.4
689.23035	9.7
689.35699	11.0
690.24377	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	690.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.5
58.00597	0.6
59.01379	16.6
59.95547	0.4
61.98823	3.0
67.62989	0.4
69.36575	0.7
69.36977	2.7
71.01380	3.0
73.02946	7.3
77.38141	0.4
83.01389	9.2
83.01884	0.4
85.02940	1.8
86.21377	0.5
87.04508	2.3
95.05018	0.5
97.02970	0.5
99.00866	0.7
99.04499	0.6
101.02435	3.8
103.00372	1.0
109.06612	1.0
111.08181	0.6
113.02457	0.8
117.03467	15.6
118.04348	0.9
119.05027	41.2
120.05358	1.6
121.02963	7.7
122.06149	0.6
123.04490	2.8
125.02473	0.9
125.06087	0.9
127.07607	0.5
133.02943	1.7
134.03748	1.4
136.07620	0.5
137.09732	0.6
139.07646	0.7
139.11290	9.5
140.11519	0.6
143.03438	0.6
144.20438	0.4
145.02953	26.5
146.03282	1.5
151.00342	0.9
151.11301	1.1
162.03209	2.5
163.04010	20.7
163.11263	1.0
164.04359	1.4
164.95462	0.4
165.09219	0.9
167.10788	0.6
169.12309	3.0
179.10748	2.2
181.12340	4.3
183.10258	14.9
184.10597	0.8
188.91640	0.4
195.13824	1.0
197.11806	2.6
199.13400	1.2
207.10260	0.6
209.11862	0.5
225.11322	15.4
226.11639	1.3
239.12874	0.7
243.12350	12.3
244.12698	0.6
249.11311	2.2
267.12283	2.1
279.12274	0.7
280.35565	0.5
285.13452	1.6
291.12415	1.9
302.17596	100.0
303.17953	10.7
309.13409	1.2
327.14444	5.8
328.14554	0.6
387.16562	16.5
388.16943	1.4
659.26074	0.6
690.34906	66.7
691.35461	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92852	0.6
57.03440	2.0
58.00610	0.6
59.01381	18.0
61.98830	3.3
65.82616	0.6
71.01379	4.6
73.02544	1.0
73.02943	8.2
78.10435	0.6
83.01386	9.2
85.02959	1.1
87.04530	1.9
90.35309	0.5
91.07418	0.5
98.20613	1.2
101.02439	5.4
103.00397	0.8
108.06678	0.5
117.03458	15.3
119.05026	44.7
120.05346	1.5
121.02971	8.8
123.04539	4.0
125.02474	1.2
125.06140	0.6
127.07597	0.7
133.02974	1.7
134.03783	1.2
134.90852	0.5
139.07648	0.8
139.11266	9.0
145.02951	30.9
146.03336	1.4
151.00334	1.2
151.11282	1.0
162.03189	3.9
163.04012	21.9
163.11331	1.0
164.04288	0.7
165.09195	1.8
167.10721	0.7
169.12366	3.2
179.10753	2.5
181.12325	4.0
183.10260	13.7
195.13936	1.0
197.11818	3.2
225.09239	1.1
225.11324	14.5
226.11697	1.3
239.12975	1.2
243.12341	13.9
249.11462	1.3
267.12354	1.4
285.13464	1.7
291.12393	2.6
301.03494	1.4
301.12271	0.8
302.17603	100.0
303.17914	8.6
309.13528	1.1
327.14441	5.4
335.12411	0.7
387.16599	15.6
388.16824	1.3
565.59302	0.7
690.34894	71.0
691.24640	0.8
691.35217	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	691.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	0.3
59.01378	2.2
67.01880	0.2
71.01373	0.6
75.00879	0.3
82.03007	0.4
83.05024	0.7
87.00842	0.2
89.02459	0.3
94.02995	2.1
95.05063	0.2
96.96005	1.8
98.02471	0.3
107.03789	0.3
108.04549	2.4
110.06161	0.4
113.02454	0.3
120.04520	0.7
121.05319	0.2
122.06122	8.1
123.06464	0.2
124.04039	1.3
132.04578	0.4
133.04054	0.4
134.06117	1.2
135.06885	0.6
136.04041	3.3
136.07675	9.0
137.04796	0.3
138.05606	2.0
147.05634	0.2
148.04042	0.4
150.05598	7.8
151.05948	0.5
152.07158	2.3
158.06097	0.2
159.11798	0.5
160.04007	0.2
163.08772	0.3
164.07207	0.2
172.07681	0.3
173.07227	0.2
174.09190	0.5
175.05174	0.3
176.03529	0.6
186.04247	0.4
186.09212	2.8
187.11272	0.3
188.10793	0.4
189.06664	0.2
190.05084	1.2
200.05867	0.4
200.10849	0.4
201.06519	2.1
201.08319	0.3
202.07141	1.5
202.08817	0.8
202.12386	1.8
211.08745	0.2
212.07306	0.2
212.10869	1.4
213.06444	0.4
214.07153	0.9
214.09180	0.2
215.08145	2.4
216.08878	0.3
226.07558	0.3
227.08301	0.4
227.11893	0.4
228.10323	3.3
229.09795	12.4
230.12030	7.4
231.11496	0.8
239.08145	0.4
240.09012	0.8
241.09935	0.3
241.14497	0.8
243.07686	0.3
243.11450	0.2
243.27280	0.2
244.08545	0.6
245.09314	5.0
245.12935	0.7
255.11374	3.2
257.09302	6.1
258.09970	1.3
259.10757	0.7
263.10635	0.3
273.12433	19.0
274.10483	0.6
274.12778	1.2
275.10339	1.2
283.15631	0.3
284.15955	0.2
290.12729	0.3
293.09088	0.3
299.10297	0.8
317.11395	14.2
318.11789	1.5
334.11786	0.8
335.12466	100.0
336.08737	0.4
336.12799	8.3
355.12885	1.8
356.12881	0.2
377.46603	0.2
471.12402	0.2
537.76093	0.2
587.22363	0.2
599.21735	0.5
619.23822	0.2
631.24017	0.6
659.23901	0.2
691.25250	1.1
692.26843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49333	0.3
59.01371	3.4
61.98818	1.0
69.20937	2.8
69.54018	0.4
71.01379	0.3
80.05058	7.1
82.02989	1.5
92.05087	0.4
94.02982	17.2
95.03300	0.5
96.04526	0.5
104.05079	2.6
106.06631	2.3
108.04564	1.5
108.08185	4.0
109.34709	0.4
116.19441	0.4
120.04555	0.9
120.08240	0.8
121.05347	3.8
122.06127	2.0
124.04051	1.2
130.06606	0.8
132.04559	1.2
134.06111	3.4
136.04092	2.1
136.07675	74.7
137.04807	0.6
137.08018	2.6
138.05600	7.2
146.06107	1.0
147.05655	1.1
148.04039	2.0
148.07719	0.5
150.05588	3.5
150.09277	0.6
152.03581	0.5
152.07205	0.5
153.04309	1.6
158.02467	0.6
158.06111	0.5
160.03999	1.6
160.07660	0.4
161.04820	0.5
162.05614	0.4
164.07126	0.5
165.49142	0.4
168.06567	0.6
172.11292	1.1
173.04576	0.4
174.05582	2.3
174.09140	0.4
175.05113	1.0
176.05760	0.4
180.06691	1.5
186.12872	0.6
188.07149	2.8
190.05092	1.9
201.10298	4.7
201.13867	0.4
210.07835	0.5
211.08780	1.6
212.09239	0.4
213.10298	3.0
215.11945	0.8
217.09883	0.4
223.08768	0.9
224.09390	0.8
225.10248	2.5
226.11031	1.1
227.11844	3.7
228.12531	0.8
229.09850	6.3
229.13397	8.6
230.13867	1.0
235.08707	0.9
237.10307	2.7
239.08205	0.6
239.11879	5.1
241.09793	1.1
241.13614	0.4
243.11482	0.6
245.12895	0.6
247.10942	0.8
249.06645	0.4
249.10239	1.4
250.07397	2.2
250.11000	0.7
251.08228	1.9
251.11832	1.1
252.08960	1.2
253.09843	2.5
253.13448	0.8
255.11372	3.9
256.11465	0.5
257.12955	2.9
259.10782	0.9
263.08310	1.9
263.11292	0.4
264.08954	0.7
265.06497	0.5
265.09827	5.2
266.10498	1.5
267.11423	3.6
268.11957	0.9
269.13092	0.7
273.12393	2.3
276.09003	0.7
277.09705	2.7
278.06943	4.5
278.10501	1.8
279.07724	5.1
279.11356	5.1
280.08051	0.8
280.12045	1.1
281.12943	1.5
289.11963	1.2
291.07730	1.2
291.11063	0.7
292.08563	1.0
293.09320	16.1
294.09988	4.6
295.10889	4.0
297.12445	3.6
301.11896	8.4
302.12363	0.8
305.09201	0.8
306.09933	1.7
307.10837	5.8
308.11365	0.6
309.12402	5.0
310.12714	0.9
319.12967	18.9
320.13409	1.9
321.08749	0.6
321.12338	0.5
323.14111	0.5
327.13641	2.7
328.14423	0.6
330.12521	0.7
331.13275	0.6
332.13992	0.9
337.08252	6.8
338.08978	0.7
339.10098	0.6
339.13452	1.3
344.10202	0.6
344.14014	0.8
351.09802	1.1
356.14096	0.6
358.11917	0.9
358.15793	0.5
359.12604	0.8
360.13342	0.7
372.17084	1.4
373.14246	0.6
374.15027	4.1
375.15430	0.6
382.15625	0.4
386.15118	1.5
391.15338	0.8
392.16232	3.0
400.12183	0.5
400.16696	1.4
401.17355	1.1
402.18066	1.3
414.14429	1.4
414.18558	1.0
415.19373	2.2
416.15369	3.2
416.20508	1.0
418.13986	0.9
426.18558	0.8
428.16055	2.7
433.16183	0.5
434.16956	1.9
442.17648	3.0
443.18521	6.1
444.19180	4.4
445.19919	0.5
446.17282	2.1
447.17828	1.5
458.20898	4.1
460.18723	2.9
461.19434	1.1
462.20160	1.3
470.17178	2.9
471.17377	0.9
476.21893	3.2
487.17514	4.3
488.18222	12.2
488.25378	0.6
489.18585	2.1
492.21112	0.6
502.12439	0.7
502.19812	12.2
503.20328	1.8
515.26648	0.8
519.20062	0.7
520.20715	1.0
523.23401	2.3
534.22430	17.5
535.22882	2.6
541.24493	2.9
555.25964	1.1
565.24493	4.8
566.24945	0.8
567.22424	2.4
568.22986	0.6
583.25592	16.6
584.26031	3.4
597.27362	2.5
598.27606	0.7
599.25049	3.5
600.25610	0.9
609.23535	1.3
615.28259	10.3
616.28235	1.9
627.24609	11.9
628.25043	3.1
631.27411	1.1
641.26056	10.0
642.26489	2.0
659.27161	100.0
660.27496	23.1
673.28668	2.9
674.28931	1.0
691.29767	21.8
692.30231	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	691.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20591	0.5
52.65874	0.6
57.03417	0.8
59.01381	3.9
61.98833	8.1
62.05479	0.6
71.01369	1.4
73.02914	1.0
80.05049	6.4
82.02969	1.3
89.02414	0.8
94.02988	23.2
96.04581	0.7
96.96063	0.8
99.04513	1.2
99.92593	1.6
104.05069	1.8
106.06618	1.8
108.04504	1.3
108.08177	2.6
115.92067	1.4
116.92866	4.4
120.04602	0.9
120.08174	0.7
121.05315	3.5
122.06113	1.4
124.04012	1.0
132.04538	0.9
134.06120	4.2
136.04056	1.5
136.07683	68.3
137.08018	2.0
138.05615	7.4
138.48187	0.7
147.05591	0.8
147.56636	0.7
148.04016	2.0
150.05617	1.7
150.09268	1.1
151.62897	0.7
152.03484	0.9
152.07123	1.0
153.04301	1.8
158.06126	0.7
160.04004	1.2
160.74168	0.7
172.10423	0.7
174.05576	1.9
180.06660	2.2
186.05588	0.8
188.07191	4.9
190.05154	1.4
196.50594	0.8
201.10329	2.9
209.11768	0.9
211.08714	1.4
213.10275	1.9
223.08768	0.8
225.10312	3.0
226.11020	0.7
227.11864	2.6
228.96579	0.8
229.09845	5.0
229.13367	5.5
235.08684	1.9
237.10350	2.7
239.11864	2.5
249.10313	1.6
250.07416	3.0
251.08176	3.2
251.11914	1.5
252.08934	1.1
253.09763	3.1
255.11369	2.3
257.13007	2.0
263.08142	1.7
264.09030	1.0
265.06241	1.4
265.09796	6.6
266.10434	1.8
267.11310	3.4
273.12503	1.8
277.09872	2.1
278.06909	5.8
278.10132	1.4
279.07706	8.3
279.11362	3.7
280.12021	1.2
281.12744	1.5
291.07690	1.2
292.08398	2.2
293.09317	25.8
294.10013	7.3
295.10858	5.4
297.12311	3.1
301.11877	7.5
306.09995	2.7
307.10846	6.5
308.11615	1.1
309.12268	3.9
319.13016	12.6
320.13364	1.2
321.08640	1.1
321.12256	0.9
327.13504	1.5
337.08295	15.3
338.08777	3.0
339.09518	1.3
339.13403	1.2
344.14047	0.9
351.09909	2.0
353.11209	0.8
372.17197	1.4
374.14932	2.2
386.14948	1.3
392.16153	1.9
400.16772	1.0
401.17468	1.9
402.17963	1.0
414.14478	2.4
415.19351	3.6
416.15204	1.2
416.19873	2.1
417.20660	0.9
428.16083	3.9
429.16180	1.3
442.17599	4.5
443.18515	8.7
444.19229	5.8
445.19641	0.8
446.17282	2.5
447.17953	1.0
458.21121	7.9
459.21286	0.9
460.18716	2.7
461.19171	1.0
462.20520	1.0
470.17151	5.5
471.17380	0.8
476.21848	6.4
487.17523	9.1
488.18210	21.2
489.18576	3.5
502.19830	26.1
503.20212	4.1
519.19775	1.0
520.20062	1.2
534.22437	36.7
535.22943	5.6
541.24780	1.6
565.24463	2.1
583.25488	7.0
584.25323	0.9
597.27161	2.9
599.25262	1.2
609.22864	0.9
615.28235	8.6
616.28326	1.8
627.24646	5.4
628.24945	1.1
629.35815	1.3
631.27576	1.1
641.26343	12.9
642.26483	3.5
659.27216	100.0
660.27551	20.4
673.27985	4.2
674.29547	0.7
691.29663	21.0
692.29626	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	691.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.5
60.60970	0.7
61.98824	3.9
70.16264	2.9
80.05051	9.5
82.02981	1.6
83.04995	0.9
88.94926	0.8
94.02987	25.3
98.20637	0.9
104.05065	3.2
106.06597	2.2
108.04518	1.5
108.08203	4.0
110.06125	0.8
115.92046	1.4
116.92846	3.1
120.08176	1.2
121.05340	6.5
122.02504	0.7
122.06097	2.9
124.04036	2.2
130.06589	1.9
132.04539	1.9
134.06134	6.1
136.04054	2.2
136.07675	100.0
137.08002	3.8
138.05630	8.4
146.06117	1.5
147.05602	1.2
148.04007	3.0
150.05563	4.1
153.04303	1.6
160.04045	1.5
162.85114	0.9
168.06671	0.8
174.05531	4.8
180.06647	3.2
186.05733	1.4
188.07140	3.4
190.05046	2.3
201.10275	4.2
209.11842	2.0
211.08711	2.6
213.10287	3.2
215.11705	0.8
223.08850	1.2
224.09508	1.0
225.10281	5.3
226.11058	2.0
227.11813	4.8
229.09834	5.9
229.13426	9.0
235.08769	1.2
236.09564	0.9
237.10260	3.3
238.11119	1.0
239.08171	1.9
239.11894	4.6
241.09648	1.2
249.10271	1.9
250.07492	2.0
251.08189	2.3
251.11836	1.8
252.08839	1.1
253.09845	6.3
255.11327	5.6
257.12921	2.2
263.08197	2.5
265.09799	5.4
266.10486	1.7
267.11322	3.8
268.12073	1.0
271.15100	0.9
273.12427	3.2
274.45157	0.8
277.09778	3.2
278.06903	3.7
278.10580	2.3
279.07925	6.4
279.10864	5.3
281.12955	2.2
285.04071	1.4
287.97394	0.9
289.12057	1.7
291.07797	1.5
292.08502	1.7
293.09308	18.3
294.09973	4.8
295.10870	5.7
296.11346	0.9
297.12381	6.1
301.11890	8.9
302.12622	0.9
306.10156	2.3
307.10846	7.3
309.12411	5.7
317.11475	0.9
319.12979	27.5
320.13300	1.7
327.09833	1.0
327.13446	2.1
330.12360	1.2
332.13901	1.4
333.65536	0.9
337.08276	8.5
338.08884	1.7
339.13623	1.3
344.14081	1.3
351.09747	1.5
357.14407	1.0
358.11713	1.0
358.15558	1.7
359.12897	1.0
360.17239	1.2
372.17221	1.4
373.14066	1.2
374.14978	8.4
375.15387	1.4
386.15149	2.1
388.16690	1.7
391.15079	1.3
392.16098	6.0
400.16843	1.7
401.17398	2.2
402.18051	2.2
403.19159	1.0
414.14233	2.0
415.18918	2.3
416.15891	3.3
416.19846	3.4
418.13577	1.1
418.21396	1.0
428.16064	2.7
434.17120	2.4
442.17804	3.0
443.18573	9.7
444.19403	5.1
446.16690	1.3
447.17914	8.1
448.18265	1.4
458.21231	5.2
460.18741	3.5
462.20114	7.6
463.20425	1.4
470.17606	1.6
476.21725	2.1
487.17371	5.8
488.18213	10.1
502.19794	17.8
503.19861	2.5
515.26776	2.8
520.20721	1.9
523.23822	4.1
534.22430	33.5
535.22729	6.2
541.24567	6.2
542.25043	1.4
555.25995	1.5
565.24487	5.3
567.22443	3.5
568.23114	1.1
583.25745	16.8
584.25995	3.2
586.24213	1.9
597.27332	1.2
599.25244	6.6
600.25586	1.7
609.23547	3.7
610.24298	1.1
615.28540	4.5
616.28870	1.0
627.24554	25.3
628.24817	4.9
631.27496	4.5
641.26062	9.6
642.26556	2.2
659.27167	52.3
660.27417	10.5
673.28766	17.0
674.29132	2.4
691.29803	78.3
692.30090	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	692.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55260	0.2
57.03447	0.7
59.01376	2.8
61.98830	100.0
62.98543	0.2
71.01376	1.6
73.02948	0.5
78.83964	0.2
85.02952	0.5
87.00900	0.2
89.02454	1.0
94.03015	0.3
98.19847	0.4
99.00887	0.3
99.04528	0.5
99.92615	0.4
101.02486	1.2
103.00385	0.4
105.45092	0.2
113.02462	0.6
115.92097	0.2
116.92854	1.5
125.02479	0.6
129.82623	0.2
136.07677	1.2
137.08046	0.3
149.04549	0.3
161.04602	0.2
179.05553	0.2
197.11768	0.2
209.11839	0.4
272.48911	0.2
285.04068	1.1
286.04410	0.3
319.13046	0.3
320.13666	0.2
336.37268	0.2
385.26236	0.7
386.26389	1.1
489.18805	0.3
503.20175	0.3
531.28168	1.0
535.22931	0.4
613.94824	0.2
616.29010	0.2
628.25378	0.3
629.34918	0.3
632.37323	0.4
650.38751	0.3
660.27509	1.4
661.29425	0.3
674.35687	0.3
692.28546	0.3
692.35767	0.3
693.32690	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	692.401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
59.01373	0.3
60.32122	0.1
61.98816	0.3
71.01363	0.3
71.52087	0.3
74.02464	0.5
77.60525	0.1
80.91663	0.3
83.01389	0.2
83.05021	0.8
85.06582	0.7
96.96003	0.4
97.06589	0.2
98.02455	0.2
110.87275	0.1
116.03568	0.2
117.35859	0.1
123.08179	0.3
128.03543	0.2
132.04552	0.2
139.11290	2.1
141.12801	0.2
151.00262	0.1
151.11250	0.3
155.04829	0.2
163.11247	0.3
166.23392	0.2
167.14436	0.3
172.49924	0.2
179.14467	0.9
181.12384	0.8
195.13963	1.5
197.15459	23.5
198.15747	1.5
219.10173	0.1
220.06160	0.2
225.14955	0.8
227.03429	0.3
241.14439	0.4
243.15994	100.0
244.16325	7.0
245.09285	0.3
255.03006	2.8
261.08701	0.4
270.02283	0.2
283.02454	5.5
284.03400	0.8
285.04025	3.4
291.08133	0.1
305.10690	0.2
327.05005	0.3
330.56259	0.1
370.70917	0.2
403.16132	0.2
429.09521	0.2
446.08466	0.3
447.09296	1.1
488.09607	0.5
489.10361	1.7
505.58588	0.2
609.14508	0.7
693.16833	2.7
693.27979	0.1
696.27246	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95911	0.6
59.01365	0.8
63.02398	1.0
64.89137	0.6
65.00339	1.4
69.60059	3.5
74.02511	0.7
77.65646	0.6
80.91680	1.5
82.95406	0.7
83.01389	4.3
92.38792	0.6
93.03468	1.3
96.96008	0.8
100.02775	0.7
107.01392	2.0
107.70840	0.6
117.03445	0.8
118.10578	0.5
123.04523	0.6
151.00356	5.5
152.00896	0.6
163.00336	0.6
167.05023	0.5
169.01414	0.7
171.04494	0.7
175.03987	0.7
178.99918	0.8
183.04543	2.9
185.06061	0.7
199.03917	1.0
203.08185	1.4
211.03983	2.6
213.05579	1.1
214.02682	0.6
227.03482	20.0
228.03900	1.5
239.03433	0.7
245.09335	3.5
255.02982	66.4
256.03439	6.4
257.04434	1.0
269.04645	1.5
283.02472	92.6
284.03195	42.0
285.04025	73.3
286.04343	4.5
297.04135	4.3
299.05676	1.1
324.48236	0.6
326.04385	1.2
327.04980	4.1
446.08521	14.1
447.09290	100.0
448.09656	10.4
459.08957	0.7
488.09048	1.0
489.10464	8.8
490.11185	1.4
511.31516	0.6
530.11090	1.2
531.11389	2.3
591.13684	0.7
609.14600	73.8
610.14899	10.9
693.16681	13.9
693.27814	0.9
694.17072	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	693.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19650	0.3
53.26618	0.3
54.38246	0.3
61.48036	0.3
63.02413	0.6
63.38456	0.4
65.00328	0.6
71.52045	0.6
73.46772	0.4
75.57783	0.4
83.01397	0.6
89.02505	0.4
93.03468	1.3
103.00383	0.5
107.01389	1.3
117.03486	0.9
121.02977	0.4
122.06133	1.0
130.95796	0.4
134.06180	0.4
151.00354	2.6
152.07184	1.8
154.04214	0.6
155.05054	0.7
159.04523	1.1
167.04985	0.9
169.06589	0.8
171.04482	0.5
173.02383	0.4
182.03766	0.5
183.04518	5.0
185.02464	0.6
185.06088	0.8
187.03999	0.6
188.07120	0.8
189.05505	0.5
199.03931	0.6
211.04012	3.6
212.04326	0.5
213.05550	1.2
214.02794	0.8
227.03464	7.1
228.03854	0.6
229.05103	0.8
239.03625	0.5
241.05115	0.7
253.05170	0.6
255.02972	56.1
256.03412	4.9
257.04593	1.3
269.04453	1.1
283.02463	100.0
284.03058	16.5
285.04022	61.0
286.04361	4.7
295.10800	1.0
297.04031	1.5
298.04514	0.4
307.11212	0.5
309.04105	0.6
327.05093	2.3
397.81842	0.4
445.18314	0.8
447.09296	28.6
448.09689	3.3
460.18570	1.1
487.19955	0.6
489.10284	3.7
504.17816	2.3
518.96173	0.4
530.14307	11.7
531.15063	20.4
532.15430	3.1
536.20276	2.2
693.20276	51.7
694.20642	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12189	0.4
57.03438	1.0
58.00595	0.9
59.01378	16.9
61.58278	0.3
61.98830	2.9
70.91775	0.7
70.92097	0.4
71.01382	9.4
71.05137	0.3
72.99310	0.8
73.02956	1.3
75.00876	1.2
83.01385	1.0
85.02957	4.2
87.00894	1.1
89.02447	3.1
94.03001	0.9
95.01383	0.6
97.55286	0.3
98.20712	0.4
99.00877	0.6
101.02450	3.9
103.00373	100.0
104.00706	1.3
108.04543	0.4
113.02468	3.6
119.03521	0.7
119.05046	0.9
120.21526	0.5
122.06095	0.4
136.07649	0.6
139.11258	0.4
143.33746	0.4
157.12325	0.4
163.04044	0.7
206.07498	0.4
206.39175	0.4
246.20972	0.4
276.07797	0.4
307.10916	0.9
335.12836	0.6
351.09747	0.8
446.17352	0.9
490.16205	0.5
499.29199	1.4
517.30194	8.1
518.30475	1.2
522.18787	2.6
541.30127	2.0
542.30591	0.4
553.29828	0.8
553.40308	0.4
633.35327	0.6
675.32123	0.8
693.33405	28.1
694.34064	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	695.1464
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
57.46279	0.6
58.08326	0.6
65.00329	0.7
69.25646	1.8
69.26068	3.7
93.03459	1.6
98.20675	1.2
103.00359	1.1
107.01392	1.5
117.03453	1.7
120.01242	0.7
143.31448	0.7
151.00349	2.8
165.01906	0.7
183.04492	3.1
211.03917	3.1
213.05557	1.0
227.03496	13.7
228.03865	0.7
255.02982	55.5
256.03571	5.4
269.04318	1.2
272.81088	0.7
283.02466	100.0
284.03113	24.0
285.04016	79.0
286.04379	6.5
297.04111	1.7
299.65106	0.9
306.05396	0.9
326.04510	0.6
327.05164	4.3
387.35016	0.8
446.08484	12.1
447.09286	13.2
448.09784	1.5
489.10358	37.8
490.10782	4.2
531.11517	4.8
532.11176	0.9
555.11652	0.8
607.98083	0.9
651.15637	59.7
652.15936	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	695.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.0
73.02946	0.8
74.48644	0.7
79.49852	0.7
93.03487	1.0
103.00398	0.9
105.52869	0.7
107.01400	1.1
117.03469	0.7
121.94827	0.7
123.00880	0.7
141.43333	0.7
151.00323	2.3
155.23262	0.8
159.04523	1.1
182.03667	0.9
183.04480	2.7
185.06058	1.2
211.03995	2.6
213.84880	0.7
227.03476	12.0
229.05006	0.8
230.06653	1.8
231.07059	1.5
255.02977	51.2
256.03461	5.4
269.04654	0.8
283.02463	100.0
284.03137	25.7
285.04031	76.9
286.04361	5.6
297.03879	1.7
320.60010	0.7
326.04422	1.2
327.05057	3.6
359.59412	0.9
446.08542	11.8
447.09335	14.8
448.09543	2.0
489.10367	42.7
490.10559	5.0
531.11334	7.1
651.15625	66.0
652.16022	11.5
666.53906	0.8
698.83942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06110	0.6
70.30468	1.9
72.86122	0.5
82.09308	0.6
93.03453	1.1
107.01392	0.9
117.03479	0.9
124.81640	0.6
151.00403	3.0
151.22699	0.7
180.94031	0.7
183.04564	3.7
185.06068	1.2
187.03989	1.1
211.04022	2.5
213.05533	1.8
214.02808	0.7
227.03479	13.7
229.05101	0.9
255.02983	55.5
256.03470	5.5
269.04462	1.5
283.02472	100.0
284.03125	25.7
285.04025	81.2
286.04398	7.2
297.03979	1.2
326.04318	1.5
327.05078	4.6
446.08514	14.4
446.14291	1.0
447.09198	15.1
448.09753	2.1
489.10361	41.9
490.10696	6.0
531.11279	7.6
532.11548	0.9
651.15637	73.5
652.16083	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	695.1462
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
55.30509	0.3
59.01378	0.7
63.02392	3.2
65.00320	1.7
70.95642	0.6
82.95428	0.3
83.01384	2.2
93.03460	0.8
95.01376	0.6
107.01393	5.9
117.03461	0.3
123.00902	0.6
125.02448	0.4
127.26377	0.3
132.02158	0.4
135.00940	0.3
143.05061	0.3
145.02989	0.7
151.00368	17.0
152.00687	0.7
163.00407	1.5
163.03978	0.4
164.01132	1.1
167.03439	0.4
167.41187	0.3
169.01448	1.6
169.02696	0.3
171.04520	0.4
182.44629	0.3
183.04539	0.3
185.06087	0.9
187.03931	0.7
187.15108	0.3
197.06087	0.4
199.03983	0.7
211.03955	1.0
213.05534	2.0
227.03493	7.1
228.04025	0.4
229.05077	4.2
239.03500	0.8
240.04196	0.3
241.04979	1.4
255.02988	18.3
256.03394	2.5
257.04565	6.9
258.04898	0.5
283.02444	5.4
284.03241	26.0
285.04019	100.0
286.04361	8.3
297.03928	0.6
327.05164	2.1
340.61673	0.3
343.38336	0.3
429.07983	0.3
447.09290	20.6
448.09634	3.0
449.10214	0.4
489.10358	28.9
490.10635	4.0
532.12323	0.3
533.12598	0.6
538.09717	0.4
651.15887	0.9
695.17566	2.2
696.17578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59420	0.4
59.01367	1.7
61.98816	1.1
63.02394	0.6
65.00320	0.6
71.01373	1.0
71.52069	0.6
75.00867	0.4
80.00278	0.4
83.01381	0.4
85.02941	0.5
90.22453	0.3
91.01867	0.4
93.03462	1.8
94.02995	0.8
96.34096	0.4
96.95967	0.6
99.04556	0.4
101.02420	0.8
103.00362	0.9
105.00787	0.4
107.01383	1.7
116.92796	0.4
117.03410	0.5
119.05003	0.7
125.02435	0.6
129.01961	0.6
132.02132	0.9
135.00845	1.7
137.09627	0.5
143.04951	1.1
151.00349	1.1
152.07140	0.7
153.01970	0.5
153.07469	0.5
154.04237	0.4
155.05057	0.6
157.06552	1.1
159.04489	1.3
163.00365	2.6
165.01952	0.6
167.04973	0.7
169.06580	0.9
171.04440	0.5
177.04065	0.5
183.04501	0.7
183.10254	0.4
185.06096	2.7
187.03989	3.0
189.05626	1.1
195.04489	1.1
197.06091	1.7
199.03943	0.7
200.04590	0.5
201.05562	0.8
211.03918	1.8
213.05595	2.1
215.03691	0.4
219.10194	0.5
223.04047	0.5
227.03482	14.0
228.03842	1.3
229.05051	12.5
230.05394	0.9
239.03450	1.2
240.04243	1.1
241.05023	1.5
243.03085	0.5
243.12375	0.5
255.02980	20.9
256.03690	2.9
257.04532	7.4
267.02750	0.6
283.02490	1.7
284.03256	20.6
285.04022	100.0
286.04376	6.9
296.11160	0.8
302.17459	1.2
489.10403	1.1
504.17993	0.5
505.18057	0.9
537.20807	0.7
538.21082	0.8
600.98151	0.5
651.15637	45.7
652.16046	8.4
652.26294	0.7
695.26208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1464
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
58.33739	0.8
61.98824	10.4
67.12233	0.8
69.81518	4.1
73.48882	0.8
93.03447	0.8
93.47594	0.8
96.95985	0.8
98.20717	1.0
108.90201	1.8
110.89926	1.3
117.86997	0.8
119.04973	0.8
125.02444	0.8
127.51635	0.8
128.12286	0.7
135.92114	1.0
137.02397	0.9
146.35100	0.8
151.00339	2.6
159.04410	0.9
162.93945	1.7
163.03987	1.1
169.06522	1.2
170.74034	0.8
183.04573	3.7
185.06009	0.9
186.37376	0.7
187.03951	0.8
200.24089	0.7
205.01627	0.8
211.03990	2.7
213.56813	0.7
215.03488	1.1
225.92433	0.9
227.03494	12.6
228.03922	0.9
229.05104	1.1
239.03432	1.0
243.02527	0.9
255.02985	56.5
256.03397	4.4
257.04422	1.0
269.04474	1.3
283.02466	100.0
284.03091	23.3
285.04028	78.0
286.04398	6.3
297.04028	1.8
327.05167	4.0
446.08463	15.1
447.09177	12.8
448.09525	1.7
489.10358	41.8
490.10678	5.4
531.11377	6.4
643.75934	0.9
651.15637	69.3
652.16016	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	695.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30014	0.5
57.03444	0.5
58.02972	4.4
59.01381	18.5
67.14130	0.5
69.59927	2.7
70.02975	3.0
71.01400	0.6
72.00914	1.3
72.04542	0.7
73.02942	1.1
74.02477	22.5
77.89831	0.4
98.02499	4.2
98.20607	1.0
101.02432	1.4
113.02510	0.6
116.03545	5.2
116.05050	9.6
126.50228	0.6
130.06604	0.9
139.11287	14.8
140.11633	0.8
142.06577	1.8
159.09294	2.0
161.04430	0.5
165.09186	0.8
180.68961	0.6
181.12329	8.2
182.12637	0.6
183.10257	20.5
184.10631	0.8
186.05621	0.7
187.24501	0.6
191.07486	0.5
191.52377	0.5
199.13399	2.3
201.10345	1.4
203.08263	19.5
225.11320	8.0
226.11650	0.6
239.05492	0.5
243.12358	100.0
244.12723	6.9
245.09294	31.4
246.09636	2.0
255.02985	1.9
256.03366	1.3
283.02319	3.0
284.02823	2.3
285.03677	2.2
285.13449	8.8
286.04385	1.2
287.04544	0.6
315.14456	2.8
345.15524	12.9
346.15997	1.3
405.17639	54.0
406.17935	7.0
439.16138	0.7
444.15659	0.6
489.10608	0.9
490.10168	1.1
491.10757	1.5
695.17499	1.8
696.17798	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32388	2.4
57.03475	4.0
59.01377	35.6
61.41980	2.9
61.98828	45.6
63.71437	2.5
69.14534	32.5
70.39482	3.2
71.01381	30.0
72.99329	3.6
73.02953	4.9
75.00874	8.0
82.02959	3.2
85.02928	3.7
87.00878	4.6
88.27276	3.0
89.02439	13.4
90.24654	2.8
94.02995	36.7
94.06638	11.3
94.89493	2.5
99.00883	5.2
101.02446	17.2
103.00377	38.7
107.05061	3.5
108.04575	5.6
112.83853	2.9
113.02454	5.6
115.00404	4.2
115.92083	3.6
116.92875	17.8
118.06639	11.6
119.03522	2.9
119.05036	8.9
120.08263	3.0
122.06129	9.0
124.04035	6.7
131.03476	3.8
134.06099	5.8
136.03984	7.0
136.07658	9.9
138.05617	17.6
140.07141	13.6
146.06068	4.4
150.05606	7.2
152.07228	4.0
159.51012	2.7
160.07762	3.3
162.05614	24.8
163.04025	7.2
163.06052	3.4
171.10239	3.8
172.03979	3.3
174.05563	7.4
187.08838	3.2
188.07127	16.2
191.05733	3.0
201.10300	9.0
204.06664	4.3
209.11848	16.8
213.10324	9.9
215.11839	12.0
224.09341	3.0
227.03239	3.4
227.11827	6.2
229.09836	14.8
229.13412	8.0
239.11969	11.9
255.03003	8.0
255.11380	12.8
257.12949	6.7
259.10867	6.3
265.09937	5.3
266.10526	3.2
267.11362	12.1
271.15500	9.9
273.12473	7.7
277.09799	6.5
279.07907	2.8
279.11432	8.5
280.12027	4.3
281.12946	4.3
283.02472	15.0
284.03149	8.4
285.04044	22.7
291.07916	3.7
291.11432	8.2
292.12149	8.7
293.09290	13.9
301.11847	24.7
307.10898	18.9
308.11627	10.9
309.12317	12.7
313.80911	3.6
319.12955	90.0
320.13251	6.7
325.11911	9.5
327.13489	7.8
335.10385	4.8
343.12933	3.9
344.13983	3.3
351.09543	5.9
352.10599	8.3
353.11472	6.1
372.13492	3.6
380.19821	4.6
386.15060	12.2
388.16656	10.5
399.16006	3.0
400.12863	4.9
402.18219	3.7
403.14877	4.1
404.16187	4.8
406.17758	8.5
414.14749	4.3
416.15903	3.9
429.16873	4.2
430.17654	22.5
431.18018	4.2
444.19357	4.2
446.17215	6.8
447.17493	3.0
448.18796	30.8
462.20468	4.3
474.16699	11.3
480.20950	5.8
489.10342	6.3
492.17673	31.9
493.18369	3.4
506.19183	10.7
524.20374	21.6
525.20911	5.4
527.22809	15.4
538.22144	15.4
542.22742	3.7
545.23840	6.2
569.24249	17.2
570.23517	4.7
571.21741	10.4
586.22491	5.9
587.25067	42.3
588.25604	7.9
601.26392	9.9
602.25946	4.2
603.24371	15.9
613.23114	8.0
614.20953	5.2
619.27209	6.8
631.24072	51.3
632.24683	10.1
635.26813	5.3
645.25677	39.0
646.24451	16.1
651.15778	9.8
663.26636	100.0
664.26959	14.0
677.28394	22.4
678.27551	9.2
695.35931	55.8
696.36707	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	695.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16937	0.6
56.96942	0.5
58.18797	0.5
59.01379	100.0
60.01721	0.9
61.98837	2.4
67.15327	0.5
69.84971	1.2
69.85362	1.5
78.95901	7.6
92.95711	0.6
114.71409	0.6
115.92045	0.6
272.91867	0.6
510.03241	0.6
695.31165	39.3
696.31531	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	695.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70815	0.5
55.01857	1.2
57.03447	2.5
58.00588	1.0
59.01379	23.0
61.98830	12.1
69.03448	1.2
69.38679	3.5
71.01383	24.8
72.01718	0.6
72.99319	2.3
73.02949	3.9
75.00872	22.5
81.21305	0.5
83.01370	2.9
85.02950	10.1
86.00021	0.7
87.00869	4.4
89.02435	6.9
94.02983	0.6
95.01402	1.7
96.96010	1.6
97.02973	0.9
99.00879	4.9
101.02445	8.7
103.00373	100.0
104.00708	1.8
111.00891	2.1
113.02451	6.9
115.00377	0.6
115.04053	0.8
116.03872	0.5
116.92836	1.0
119.03508	2.5
119.05005	0.7
122.06106	0.8
123.04472	0.7
125.02435	0.7
129.01958	6.8
131.03476	1.3
133.89627	0.5
137.29645	0.5
139.11284	0.6
141.01926	0.8
159.02977	1.7
161.04526	0.7
163.04010	1.0
173.08231	1.2
177.04034	5.1
191.10791	0.6
195.05086	2.6
255.03006	1.5
283.02472	2.2
285.03949	3.4
370.74045	0.5
430.17239	0.7
489.10370	1.1
497.27454	4.3
501.30618	1.8
503.39343	0.5
517.30261	4.0
519.31860	5.1
533.29553	0.7
543.31958	1.6
563.30933	2.0
651.15698	1.4
659.32532	1.2
663.26721	0.6
677.34662	0.9
695.34943	94.5
696.35266	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	697.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25706	0.2
57.03450	0.4
57.86883	0.2
59.01382	3.0
61.98835	0.4
66.74798	0.2
69.66404	0.7
69.66833	0.5
72.99316	0.7
74.01398	0.2
81.03471	0.5
83.05034	0.8
91.05531	1.0
93.03469	0.2
93.07097	0.5
97.06578	0.5
104.05057	0.3
104.06870	0.2
106.90001	0.2
108.04574	0.5
112.22270	0.2
116.92778	0.2
119.05029	2.3
122.06112	1.8
132.04552	3.6
133.10240	2.6
134.06096	0.3
137.09758	0.3
141.07109	2.0
143.05022	0.2
144.05782	0.3
145.06581	3.2
148.04118	0.3
150.05533	0.2
152.07173	4.2
153.07565	0.2
155.08684	0.6
157.06577	2.0
157.10216	1.5
159.08156	11.2
160.08940	11.2
161.09235	0.4
163.11284	0.6
173.09702	5.5
175.11273	53.9
176.03560	0.6
176.11629	3.6
217.87599	0.2
219.10248	100.0
220.10596	6.9
220.12766	0.4
279.12311	0.4
280.99814	0.2
285.03922	0.4
286.04190	0.3
297.12418	2.2
304.94601	0.2
313.11963	0.3
341.11423	4.1
342.11707	0.3
373.14032	6.9
374.14554	0.5
456.01236	0.2
617.66199	0.2
653.16174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
61.98832	1.5
62.47481	0.4
64.61450	0.4
71.01382	16.0
71.52107	0.5
72.99297	0.4
78.25438	0.3
89.02473	0.5
89.03976	0.5
96.96031	0.5
101.02459	0.7
103.00381	0.9
113.02467	0.4
115.00365	6.8
117.03455	5.0
119.04995	0.4
133.01419	3.0
133.02977	0.6
134.03741	51.8
135.04033	1.9
137.02473	1.1
139.04062	0.4
147.04488	0.4
149.06087	5.6
151.00322	0.5
165.05550	0.3
178.02728	4.8
193.05046	100.0
194.05376	5.8
227.03459	0.4
246.20966	0.4
256.03317	0.5
257.03583	0.4
272.94354	0.4
283.02386	0.6
284.03094	1.2
285.03922	3.2
286.04263	2.0
287.04572	1.7
288.15945	0.5
300.02530	0.5
309.06171	4.4
439.40359	0.3
448.09155	0.5
449.09918	0.8
489.10635	0.4
491.10843	1.3
653.15900	0.7
720.34381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.7
59.86721	0.7
69.78132	4.1
71.01376	3.3
75.00866	1.2
87.00879	1.9
89.02451	2.4
100.75064	0.7
103.00372	100.0
104.00724	1.5
115.00396	4.8
117.03476	3.1
119.05024	18.4
121.02979	1.2
129.04605	0.9
133.06584	1.7
145.02950	19.8
145.06613	1.0
159.04515	2.9
161.06065	8.8
162.06384	0.8
163.04005	12.8
173.06128	0.9
173.75224	0.8
175.02513	4.5
177.05519	2.2
187.03983	13.8
188.04388	1.1
191.07040	3.7
193.03503	16.5
205.05086	3.0
217.05017	1.4
227.03589	0.7
231.02879	0.9
235.06114	27.4
236.06425	1.7
277.07199	1.9
283.02560	1.3
284.02884	1.3
285.03613	1.1
286.04239	1.6
300.93192	0.8
303.69330	0.7
321.06250	3.3
339.07181	64.7
340.07544	5.6
492.10870	1.2
654.16571	2.4
708.39417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	6.4
59.01123	0.4
59.01379	10.3
59.55816	0.3
60.01719	0.3
60.51126	0.3
71.01377	0.5
74.00152	0.3
108.04558	0.5
119.08662	5.4
120.08965	0.5
121.06556	1.6
122.06129	1.1
132.04549	3.3
134.06122	0.5
137.09715	30.3
138.10048	1.2
149.09721	0.8
152.07164	5.2
157.34120	0.3
161.09744	1.9
167.14395	0.8
175.11189	0.4
176.03416	0.7
177.12837	7.0
193.12288	0.8
219.10318	0.7
221.11835	6.2
239.12875	100.0
240.13191	7.2
263.34763	0.3
266.41391	0.3
269.12921	0.6
281.13928	50.4
282.14276	4.0
297.12439	2.4
298.12555	0.5
302.82840	0.4
313.11789	0.4
335.08380	0.4
341.11377	5.4
373.09866	0.3
373.14020	7.7
374.14288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01066	1.0
59.01377	19.2
71.01391	5.3
71.51059	0.7
72.99312	1.1
73.02979	0.6
75.00880	2.7
85.02966	1.3
87.00864	1.8
88.04031	0.7
89.02444	3.3
91.52382	0.6
92.04620	0.6
93.03455	1.2
99.00884	1.1
100.50400	0.7
103.00372	100.0
104.00721	2.6
113.02421	0.9
115.00370	3.5
116.92865	2.2
117.03471	2.8
117.92924	0.9
119.05022	19.7
120.05383	1.7
121.02966	1.5
125.02413	1.2
127.00391	0.7
129.01929	1.4
131.05016	0.7
132.05807	0.7
133.06601	0.9
135.04514	1.3
143.05032	0.6
145.02939	19.7
145.06619	2.2
146.03363	0.8
149.06055	0.6
159.04512	2.5
161.06078	10.7
162.03233	0.7
162.06287	0.7
163.03996	14.3
163.05257	1.0
164.04361	1.0
167.03455	0.9
173.06070	2.5
175.02501	3.5
175.03827	0.8
177.05566	2.1
187.04013	12.6
191.07083	3.1
193.03525	26.2
193.05276	1.4
195.05098	6.0
205.05008	2.0
217.05080	2.8
231.02989	0.6
235.06091	24.3
236.06378	1.9
249.04150	0.7
277.07208	2.6
278.07480	0.7
321.06018	6.3
339.07175	60.7
340.07486	5.6
341.08682	4.3
357.48764	0.7
361.05295	4.0
362.88052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53534	0.1
54.30686	0.1
59.01377	0.3
60.50111	0.1
61.98830	100.0
62.98536	0.1
65.47529	0.1
65.99220	0.1
69.16309	0.6
69.16721	0.2
85.02931	0.1
88.98840	0.2
116.92873	0.1
136.07660	0.1
171.10278	0.5
172.10605	0.2
197.11754	0.1
202.47581	0.1
214.38696	0.1
253.09286	0.2
309.20932	0.1
506.20142	0.1
622.32123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.33384	1.2
61.98806	2.2
71.51659	2.4
85.88139	1.3
90.68217	1.4
93.60667	1.4
145.69693	1.5
357.42593	1.6
438.13522	4.3
452.14883	1.7
452.39404	1.5
481.15106	31.6
482.15784	7.0
495.16739	10.4
496.17041	4.1
497.18289	5.2
514.14825	3.5
540.16486	7.7
554.17767	2.6
555.18848	52.4
556.18964	13.2
567.18719	2.1
572.15320	14.2
573.15710	3.2
586.16998	8.9
587.16931	2.7
641.22491	26.0
642.22723	8.1
701.24609	78.2
702.24786	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	702.298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75246	0.4
57.03448	2.4
59.01378	11.2
69.86600	2.0
70.56277	0.4
83.05018	4.6
95.44675	0.4
97.06592	3.0
123.08153	0.5
137.09698	1.4
139.11290	0.9
149.09702	1.3
163.11302	5.7
165.12794	0.9
177.12877	1.3
179.14406	3.8
195.13905	17.0
196.14195	1.2
223.13399	16.4
224.13734	0.9
227.78374	0.4
239.08876	0.4
239.12723	0.7
241.14442	100.0
242.14761	8.1
243.12364	0.7
254.00027	0.4
283.15494	53.6
284.15945	5.0
395.26172	0.6
482.03586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
59.78805	0.1
60.86554	0.1
61.98830	100.0
62.98532	0.2
71.01408	0.1
71.52630	0.1
116.92851	0.2
163.95654	0.1
171.10291	0.1
197.11789	0.1
209.11926	0.1
223.13614	0.1
243.01393	0.1
624.34467	0.2
642.35406	0.1
660.47125	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88130	12.7
61.98828	28.8
62.31415	12.0
69.34896	100.0
83.99438	13.1
95.34893	11.9
104.76525	11.7
105.69552	12.9
109.65648	12.2
146.71927	12.3
171.10291	35.3
682.00787	14.8
703.38184	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	703.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80741	38.2
57.34433	39.3
61.98838	59.2
70.25514	100.0
70.25861	36.3
70.65276	38.7
137.83759	41.9
171.10219	87.1
193.65343	43.9
264.96448	35.2
277.21725	76.6
295.67627	39.2
396.13916	42.1
427.50006	40.9
531.29547	59.0
568.10260	43.6
703.38141	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.2
61.98831	100.0
62.98521	0.2
64.99533	0.2
69.17872	1.1
71.01399	0.2
82.02171	0.2
92.08212	0.2
98.19930	0.3
110.65517	0.1
116.92857	0.3
134.89474	0.2
172.69473	0.2
194.44301	0.2
209.11888	0.2
211.13434	0.4
212.13788	0.2
249.38083	0.2
315.34021	0.2
379.78339	0.2
537.71100	0.2
623.99591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12205	0.3
57.28017	0.2
58.02975	6.6
59.01381	0.4
61.98839	1.3
70.02984	4.9
71.28251	0.4
72.00918	1.8
72.04556	1.0
74.02475	35.7
75.02828	0.3
90.34150	0.2
95.67554	0.2
98.02475	7.6
116.02715	0.5
116.03549	10.2
116.05061	13.1
117.03902	0.3
117.05428	0.3
130.06625	1.8
142.06630	3.1
156.08253	0.3
159.09279	3.1
183.09319	0.8
186.05655	0.7
201.10326	2.9
203.08260	35.9
204.08600	2.1
245.09299	100.0
246.09627	6.7
263.85574	0.2
289.08386	1.0
361.84143	0.2
488.00937	0.3
636.17297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57322	0.6
56.75393	0.6
57.03444	1.2
57.69358	0.6
59.01375	3.2
61.98824	4.5
69.32352	3.2
69.32780	1.6
71.01371	2.2
73.02946	0.7
83.01368	0.6
85.02982	0.9
86.52559	0.6
89.02436	1.7
94.02984	12.3
94.06611	3.7
96.96021	1.0
99.00940	0.8
101.02453	1.5
106.06620	1.5
107.03767	9.8
113.02443	1.1
116.92891	0.9
119.03541	0.9
120.04562	1.2
121.05322	0.6
121.83908	0.5
122.02483	0.6
122.06120	45.4
123.06425	1.1
124.04053	0.9
124.07686	1.6
134.06102	6.4
136.04044	1.6
138.05624	4.3
139.02753	4.6
150.05623	3.6
152.07170	74.4
153.07530	2.2
158.06026	0.8
166.05099	1.0
171.10242	2.4
186.05562	1.3
221.10915	0.9
225.10324	1.4
229.83757	0.6
235.08737	2.4
237.10413	4.0
239.12653	0.8
248.09689	0.7
249.06860	0.8
249.10327	2.5
250.07465	5.2
251.08150	1.2
252.09048	1.7
253.09239	0.7
262.07581	1.0
263.08282	4.3
264.08987	1.5
265.09802	13.7
266.10233	1.0
267.11383	1.9
275.85358	0.7
276.09109	1.3
277.09747	6.4
278.07007	8.3
278.10092	1.0
279.07605	0.8
279.11417	0.9
290.06967	1.0
291.07779	4.1
292.08408	1.5
293.09311	45.1
294.09741	4.7
305.09305	16.1
306.10001	2.9
307.10803	1.1
325.11945	1.5
337.08237	2.3
344.13815	0.8
370.11948	1.4
372.13535	1.1
384.13486	2.8
385.14334	0.8
386.11008	1.1
386.15146	1.8
398.11237	0.8
402.14322	1.3
403.15170	0.7
404.16348	1.7
412.12503	1.1
413.13812	0.7
414.14200	3.1
415.15009	0.8
417.17218	1.3
426.14587	1.3
428.15982	3.3
429.16895	1.7
430.17783	6.5
431.18759	0.8
432.15524	8.8
433.15985	1.2
443.14975	0.7
444.15396	3.8
445.16443	0.7
456.15381	1.1
457.16354	2.4
458.17221	23.3
459.17612	3.3
463.17114	0.9
464.18585	0.9
472.19110	2.9
474.16702	2.2
484.15060	2.1
490.19870	3.1
501.15527	1.2
502.16183	33.2
503.16553	7.0
504.21402	4.9
505.21597	1.8
516.17426	0.8
517.18512	7.2
518.19067	1.4
534.18921	4.9
537.21008	0.8
548.20306	3.7
549.21082	4.1
550.22064	1.3
569.24261	2.9
579.22766	1.0
597.23535	30.8
598.23633	4.4
613.22870	0.8
629.26050	19.4
630.26569	3.1
633.31360	1.2
641.22565	13.7
642.22693	2.1
645.34985	2.0
655.23853	1.1
661.29059	2.9
673.25110	100.0
674.25482	19.8
705.27576	28.1
705.39484	1.3
706.27979	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	705.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55074	0.3
59.01381	2.5
61.17648	0.2
61.98815	1.6
62.08486	0.2
69.29335	1.0
69.29760	1.3
71.01389	0.9
73.02940	0.3
85.02917	0.3
89.02444	0.6
101.02444	0.9
108.04564	0.6
116.92843	1.2
119.04966	0.4
119.08395	0.3
122.06148	1.4
124.04015	0.3
136.04044	0.4
147.05637	0.4
150.05559	0.9
152.07182	1.7
163.04066	0.4
166.03723	0.3
166.05139	0.3
171.10266	0.7
175.18600	0.2
186.09279	0.6
190.05125	1.0
199.09801	0.4
200.10759	0.5
213.06657	1.3
214.07196	2.7
215.08185	1.0
216.08751	0.5
216.10490	0.4
217.09875	0.4
227.08243	0.5
227.11894	1.7
228.08907	0.4
229.09799	7.1
230.10149	0.6
231.07739	0.6
231.11391	1.0
237.10268	0.4
239.08276	0.5
240.09186	0.3
243.11360	11.9
244.08479	1.4
244.12128	5.3
245.09276	2.6
245.12419	0.5
254.10530	0.3
255.11420	3.3
256.11658	0.4
257.09308	27.1
258.09644	1.9
259.10861	12.0
259.13190	0.3
260.11578	2.6
271.10870	0.5
272.11646	16.4
273.12286	3.6
273.17035	0.7
275.10373	14.1
276.10632	0.8
290.12711	10.9
291.13153	0.9
293.09335	0.5
303.09824	1.2
316.10641	4.7
317.10938	0.5
318.17151	0.3
331.12985	3.8
331.16779	0.5
334.11694	7.0
335.11880	0.7
349.14035	100.0
350.14352	8.7
355.12875	1.9
555.21735	0.5
597.23602	1.5
629.26288	3.9
630.26733	0.8
645.35004	0.9
667.39270	0.3
673.23651	0.4
705.26849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41284	1.0
58.26515	1.0
59.01388	1.0
61.51830	1.1
61.98545	1.9
61.98837	31.8
63.99244	2.2
68.15575	1.0
68.99811	4.4
71.01409	1.1
71.52652	1.4
73.02953	1.5
88.98798	2.3
92.38001	1.0
94.02984	5.0
97.44332	1.2
99.00885	15.8
99.39561	1.1
113.78638	1.0
118.06565	0.9
124.04041	2.2
134.02484	1.9
134.06148	1.6
137.71709	1.0
138.05577	1.9
146.06099	4.6
148.07671	2.2
150.05527	2.0
171.10277	2.6
176.07207	1.5
188.07117	3.3
188.10767	1.5
200.10706	1.4
204.06714	1.3
207.87170	1.0
209.11833	1.6
211.13373	3.8
213.06602	3.2
213.10036	1.2
215.11848	2.4
216.10255	4.6
227.08101	1.4
231.11391	2.2
239.08324	1.3
239.11758	3.6
241.09586	1.4
243.11368	100.0
244.11664	7.8
246.07751	1.6
249.10229	1.5
252.08876	1.2
255.11372	3.5
267.11386	19.6
269.09268	8.4
280.12076	1.8
281.13019	1.4
285.12418	10.0
291.11389	3.9
293.13177	1.4
297.12433	5.8
306.10187	1.1
309.08957	1.6
309.12155	4.9
311.10272	8.1
323.10358	4.9
325.11954	1.1
327.13492	10.6
353.11578	1.4
385.09320	1.7
385.14041	22.7
386.14343	2.9
403.15085	40.2
404.15298	2.9
415.16373	1.2
452.52289	1.1
458.17081	2.1
502.16339	1.1
534.18701	3.1
597.23383	3.0
629.25830	4.3
641.22260	3.5
673.24707	8.6
673.34137	1.9
674.25842	2.5
705.27325	14.9
706.28186	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64344	0.8
59.01379	20.7
63.60036	0.9
64.76704	0.9
71.01395	6.4
71.51643	1.0
72.99315	1.3
74.02483	1.0
75.00863	1.8
83.01379	1.3
83.73396	0.8
85.02937	3.2
87.00878	6.1
89.02436	1.2
93.03449	2.3
96.96026	8.1
99.66859	0.9
103.00371	100.0
104.00687	2.4
113.02480	1.2
115.00369	13.3
117.03460	3.7
119.05029	35.3
120.05378	1.5
121.02935	2.3
127.00389	1.0
132.05791	1.3
133.01414	3.9
133.06511	2.2
134.03781	1.0
135.04517	1.3
145.02950	24.1
145.06599	2.3
147.04489	1.5
149.06125	1.1
159.04533	2.3
161.06081	16.9
162.03236	1.2
163.04005	34.6
164.04436	1.2
173.06065	1.7
175.02469	14.4
177.05608	6.4
179.03470	0.9
186.98569	0.9
187.04013	13.6
191.07146	4.9
193.03508	13.0
193.05086	1.0
193.70389	0.9
195.05199	1.6
205.05057	5.1
217.05095	1.3
220.48836	1.0
231.02966	1.2
235.06093	42.6
236.06442	3.7
249.04019	1.8
261.08685	1.2
277.07196	1.4
321.06219	3.2
339.07175	74.0
340.07529	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	707.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81775	0.8
59.01378	17.3
69.62606	3.3
71.01370	6.6
72.99299	0.8
75.00872	0.8
87.00848	3.3
89.02441	3.2
93.03470	1.3
98.19917	1.5
103.00373	100.0
104.00694	1.4
115.00388	4.9
117.03469	2.4
117.04308	0.6
118.69714	0.6
119.05032	21.8
119.21729	0.6
121.02985	0.7
131.05028	1.1
133.06593	1.3
137.58202	0.6
143.05037	1.8
143.34091	0.6
145.02948	11.6
145.06607	6.8
147.04544	0.8
159.04492	3.6
161.06099	4.6
163.02757	1.3
163.04016	17.2
164.04358	1.1
173.06062	6.8
175.02492	7.0
177.05594	2.1
183.59616	0.8
187.03992	11.7
191.07222	1.9
193.03517	53.7
194.03908	1.3
205.05032	1.8
205.38324	0.7
217.05038	5.6
231.03065	2.6
235.06096	14.4
277.07132	9.1
317.80777	0.7
321.06143	14.4
322.06372	1.3
339.07181	47.7
340.07440	4.1
447.09552	0.8
704.18335	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16276	0.5
54.45481	0.5
59.01199	1.7
59.01530	2.2
61.98642	1.1
61.98985	1.3
62.13059	0.5
69.34528	3.3
69.34930	1.2
80.04823	3.6
80.05348	2.2
82.02816	0.9
82.03227	0.5
94.02712	11.0
94.03397	5.5
94.06355	1.7
94.07005	1.1
103.94725	0.6
104.04782	1.8
106.06329	2.1
107.03468	3.7
107.04264	1.6
108.04264	2.0
108.05046	1.1
120.04265	1.2
120.05019	0.6
120.08006	1.0
121.05081	0.8
122.02220	0.7
122.05795	25.1
122.06789	7.5
124.03734	1.8
130.06400	1.1
130.07196	0.6
132.04253	1.4
132.05124	0.7
134.05769	6.1
134.06870	1.2
136.03690	2.3
136.07356	1.4
136.88702	0.5
137.04541	0.7
138.05251	5.5
138.06396	1.2
139.02448	1.5
139.03450	0.6
146.05885	0.7
147.05316	0.9
148.03699	2.5
150.05235	6.9
150.06512	1.3
152.06801	44.6
153.07092	2.0
158.02206	0.7
160.03670	1.9
161.04417	0.6
162.05357	1.1
164.06810	0.8
172.11032	0.9
174.05165	2.6
175.04791	0.8
180.06322	1.2
186.12630	0.7
187.08409	1.0
188.06735	2.1
190.04675	2.2
201.09883	6.3
211.08321	1.9
213.09903	4.8
215.11600	0.8
215.72087	0.7
223.08429	1.3
224.09077	1.0
225.09877	4.1
226.10805	0.9
227.11423	4.2
229.09355	7.3
229.11723	0.6
229.12991	3.8
237.09900	2.9
238.10602	0.8
239.07826	0.8
239.11436	6.2
241.09409	1.4
242.10307	0.7
245.12897	8.4
247.10544	1.1
249.06425	0.7
249.09825	2.1
250.06964	2.7
251.07686	2.0
251.11591	0.6
253.09822	3.2
255.11299	4.9
257.12927	3.8
259.10376	1.6
263.07770	1.9
263.10651	0.6
265.09805	5.2
266.10110	1.3
267.10849	4.7
273.12463	3.4
277.09381	2.4
278.06500	3.8
278.10120	3.2
279.07236	3.8
279.10828	3.5
280.08032	0.9
280.11435	0.8
281.09109	0.7
281.12558	1.2
285.12018	1.1
289.11526	2.3
291.07388	1.3
291.10880	1.4
291.14114	0.6
292.08005	0.8
293.09323	14.7
294.10040	4.3
295.10818	8.4
296.10803	1.9
297.12054	1.1
301.11945	11.9
302.11993	1.3
305.09009	0.8
306.09644	1.5
307.10928	3.8
308.11060	1.1
309.11938	4.1
310.12650	0.7
313.11920	3.0
316.10672	0.7
319.12982	34.0
320.13339	2.8
323.10385	4.6
325.11459	2.1
326.12350	0.8
327.13541	3.2
330.12213	0.8
330.15958	0.9
331.13187	0.8
332.13678	1.2
337.08276	8.1
338.08478	1.7
339.09280	2.0
339.13196	1.0
342.16180	0.6
344.13782	1.1
348.16971	0.8
351.09445	0.7
354.12262	0.7
355.12918	2.7
356.13449	1.0
358.11383	0.8
360.13199	0.7
372.13068	1.8
372.17175	1.1
373.13943	1.1
374.15076	6.0
386.14648	1.6
391.14951	1.0
392.15994	4.6
393.16138	1.0
398.14636	0.9
400.16910	0.7
401.12936	1.0
404.15790	0.9
414.13773	0.8
416.16214	5.0
417.16327	1.9
418.13107	1.0
418.17935	1.0
428.15833	2.0
430.13638	1.1
431.18381	1.0
432.18762	1.7
434.17120	3.6
440.16434	0.8
444.15482	1.1
446.16776	1.6
458.16833	2.4
459.17792	4.4
460.18958	3.5
461.18881	1.0
462.16425	1.3
463.17151	1.3
474.20349	2.6
476.18216	3.4
486.16388	1.5
492.20981	1.9
503.16922	2.8
504.17682	9.7
505.17899	1.6
518.19312	9.8
519.19208	1.7
531.25867	0.8
536.20367	0.8
539.22894	4.6
550.14020	1.0
550.21924	15.5
551.22681	3.0
557.24146	5.5
558.24371	1.8
571.25159	2.3
572.25684	0.8
581.24048	6.7
582.23975	1.4
583.21881	4.3
584.21954	1.5
599.25067	35.1
600.25342	8.6
602.23425	1.2
613.26459	1.5
615.24359	6.4
616.24579	1.6
625.22675	3.5
626.23322	0.6
631.27667	5.3
632.27869	1.6
643.24066	35.2
644.24280	8.4
647.27124	3.2
657.25623	8.4
658.25928	1.7
675.26660	100.0
676.26953	24.7
689.28473	4.1
707.29340	21.9
708.29907	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	707.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69178	1.4
55.01880	1.5
57.03437	2.1
59.01379	19.3
61.98832	66.7
69.21521	12.5
71.01373	16.9
73.62380	1.3
80.05062	10.3
83.01379	2.5
85.02928	4.8
87.00873	1.4
89.02457	8.7
90.23263	1.4
94.02982	22.1
96.96006	4.8
98.65726	1.5
99.92567	2.0
101.02439	6.6
103.00366	7.1
104.05051	3.3
106.06621	8.2
108.04539	3.5
113.02425	5.8
115.00370	2.2
115.92085	2.9
116.92833	9.7
119.03532	2.8
119.05028	18.3
122.06117	20.1
124.03981	1.5
127.19838	1.5
134.06113	43.3
136.03995	3.4
136.07675	9.7
138.05608	7.8
139.02666	1.9
145.02927	5.9
146.06042	1.7
148.04024	3.2
150.05585	6.4
151.11298	1.6
152.07169	42.8
154.99849	5.4
160.04013	1.8
163.04004	11.1
171.10219	4.2
172.11322	2.1
174.05585	3.2
175.02397	4.9
188.07137	6.8
201.10292	4.2
209.11847	7.6
211.08769	1.8
213.10272	3.3
215.11890	2.9
223.08768	2.0
225.10336	5.4
227.11913	5.2
229.09795	6.7
229.13426	4.0
235.08780	2.0
239.08195	1.9
239.11899	5.9
245.12918	4.9
249.10295	2.5
250.07390	3.3
251.08205	4.4
253.09689	5.9
255.11412	3.2
257.12878	3.3
263.08054	4.2
265.09796	7.8
266.10553	2.2
267.11325	4.3
273.12402	2.6
277.09885	2.7
278.06998	3.8
278.10318	3.0
279.07635	5.6
279.11292	4.5
285.03879	2.0
291.11374	2.7
292.08591	3.1
293.09305	20.3
294.10077	7.8
295.10806	12.0
301.11865	8.6
305.09299	2.9
306.10239	2.5
307.10815	4.6
309.12405	5.0
313.11911	2.9
319.09573	2.7
319.13000	24.8
320.13202	3.4
321.08685	2.0
323.10336	4.7
327.13547	3.1
337.08289	9.5
337.11691	1.7
338.08868	2.9
339.09851	2.3
355.12677	1.9
374.14932	5.8
386.14963	2.1
388.16721	2.2
392.15973	4.3
398.14844	2.0
403.15030	2.4
414.14389	1.7
416.15921	4.4
417.16989	2.3
424.16989	1.7
434.16931	3.6
441.17120	2.9
442.17471	4.3
444.14899	2.1
446.17355	2.8
447.22635	2.5
458.17203	1.8
459.17844	2.4
460.18915	2.8
467.14178	1.9
468.15640	3.3
473.16473	1.8
474.15753	3.1
474.20972	2.8
485.15793	3.0
486.16504	11.9
487.17154	2.4
504.17780	5.1
518.19330	9.5
519.19849	2.0
519.73767	1.8
520.20563	1.7
521.21576	2.8
531.18677	2.2
550.21948	19.6
551.22070	5.7
569.23920	2.7
581.24060	9.0
582.24255	1.9
599.25330	12.1
613.27405	9.3
614.26831	2.3
615.24622	3.3
625.22931	6.9
631.27789	8.6
643.24048	14.6
645.25616	15.7
646.25928	3.6
647.26752	3.5
647.36450	6.1
657.25616	40.5
658.25830	11.3
665.37866	2.2
675.26672	100.0
676.27209	24.7
677.28058	3.9
689.27924	15.2
690.28101	2.1
707.29254	44.9
708.29578	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	707.293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03199	1.6
59.01369	6.2
61.98816	3.2
69.16405	15.3
80.05054	9.1
92.50546	1.9
94.02987	29.1
94.06618	5.0
100.84843	1.7
103.00356	2.0
103.47937	1.6
104.05045	2.2
106.06606	4.1
107.03771	8.0
108.04531	2.8
114.99650	1.5
120.04549	2.4
122.06122	47.8
122.72527	1.6
123.06496	1.9
124.04034	2.1
132.04568	2.2
134.06117	12.9
136.03983	4.4
138.05600	11.3
139.02791	3.7
146.06111	1.7
148.04031	3.5
150.05618	10.1
152.07173	92.3
153.07507	3.3
160.04005	3.7
161.04747	1.7
174.05608	4.1
180.06638	2.1
188.07166	5.3
192.06944	1.7
201.10307	5.3
210.34158	1.7
211.08607	1.7
213.10323	7.2
223.08752	2.8
225.10301	8.5
226.11040	1.4
227.11818	6.1
229.09834	9.9
229.13374	5.0
236.88875	1.5
237.10245	5.8
239.08232	2.0
239.11905	7.0
241.09857	3.8
245.13020	12.0
250.07387	3.2
251.08235	3.9
251.11938	2.1
253.09814	5.6
255.11313	7.9
257.12967	3.9
259.10919	3.7
265.09821	6.6
267.11313	6.4
273.12485	6.7
277.09866	2.6
278.06918	6.0
278.10617	4.9
279.07684	4.3
279.11136	3.6
293.09329	19.1
294.09958	7.1
295.10883	11.3
297.12482	2.5
301.12003	10.7
302.65561	1.7
307.10831	4.9
309.12411	5.2
313.11880	8.8
319.12994	40.0
320.13293	4.6
323.10342	6.1
325.11908	4.1
327.13586	2.9
332.13885	2.4
337.08218	9.4
338.08966	3.2
355.13037	3.4
359.12766	2.7
371.12155	1.8
372.13159	2.2
373.14258	2.0
374.14960	11.8
386.15515	2.2
391.15118	2.7
392.15912	7.7
403.14896	2.6
416.16180	9.4
417.16461	5.2
418.13519	1.8
419.18225	3.1
428.16064	2.3
431.18518	3.2
432.19455	4.0
434.17313	5.3
458.16913	2.1
459.17776	5.6
460.18475	6.7
463.17215	9.3
474.20520	3.4
476.17914	3.5
478.19907	7.7
486.16721	2.0
503.16635	4.1
504.18301	8.3
505.17920	2.0
518.19373	8.5
519.19495	3.5
536.19659	3.4
539.22888	4.6
550.21893	24.7
551.22418	5.4
557.23889	14.7
558.24420	3.5
571.25562	3.7
581.24188	7.1
583.22070	7.6
599.25037	38.8
600.25507	9.4
602.23920	3.6
615.24567	15.3
616.25037	3.2
625.23090	5.7
631.27466	3.3
643.24072	60.8
644.24390	13.3
647.27545	8.9
648.27545	2.7
657.25842	9.6
658.25684	2.2
675.26666	100.0
676.27032	20.6
689.28156	15.2
690.27863	2.8
707.29303	75.0
708.29529	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	707.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04503	0.6
57.03444	0.9
57.93331	0.6
59.01389	4.4
61.12651	0.6
61.98826	12.5
69.82539	2.7
70.80378	0.6
71.01376	3.0
77.43745	0.6
80.05062	1.0
85.02965	0.7
87.00828	1.0
88.98794	1.4
89.02438	2.2
93.62000	0.6
98.92613	0.6
99.00893	0.7
101.02452	1.5
108.04515	1.2
108.08182	5.9
113.02419	1.4
116.05128	0.7
116.92863	2.0
121.05316	5.0
122.06137	2.8
124.04070	0.8
125.02482	0.8
132.04536	2.5
134.06128	2.6
136.04134	1.3
136.07678	100.0
136.74690	0.7
137.08005	2.8
144.04533	0.7
150.05580	1.9
152.03548	1.5
153.04324	2.8
159.47203	0.6
160.04039	4.7
161.04700	2.0
162.05600	2.0
164.07117	0.9
171.10301	1.8
174.05658	1.6
176.03542	1.5
176.07167	1.7
190.05048	3.9
199.05077	0.9
199.08672	1.1
200.37756	0.7
204.06630	2.4
209.11909	0.8
211.08714	0.9
211.13550	1.1
212.05957	0.7
212.10760	0.7
213.06667	1.3
215.11960	1.3
223.08766	3.3
224.09453	1.6
225.06673	2.8
225.11418	0.7
226.07446	1.3
227.08229	5.0
229.09813	2.0
230.11807	1.1
232.34358	0.6
234.07544	0.6
237.10431	0.9
238.11137	1.4
239.08237	4.6
239.11818	5.7
241.09799	3.3
251.08244	0.9
251.11978	1.9
253.06187	5.3
253.09604	3.0
254.06995	0.9
254.10571	0.8
255.07657	1.0
255.11420	2.0
257.09293	0.8
265.06302	2.4
265.09799	2.5
266.06995	1.2
267.07733	7.2
267.10620	0.9
267.11075	0.7
268.08429	1.8
271.10849	0.8
273.12433	2.4
279.07742	4.1
279.10910	0.6
280.08533	1.2
280.33878	0.7
281.09323	7.6
281.12515	1.0
282.10022	3.4
283.10873	17.4
284.11108	1.7
286.59174	0.8
291.19632	1.6
293.09335	3.0
294.09805	1.0
295.10855	8.4
296.11618	4.1
299.10248	0.9
304.11865	0.7
307.10822	0.9
309.08737	1.6
309.12161	0.8
309.20618	0.9
317.11539	1.9
324.11188	1.3
325.12097	1.8
332.82480	0.7
335.12466	12.0
339.13501	3.0
340.14139	0.7
347.13239	0.7
360.14029	0.8
375.16119	0.9
376.16690	2.1
387.19922	0.8
397.13449	1.5
402.14252	6.6
402.19266	0.8
403.14676	1.5
403.19360	1.1
404.19757	2.1
414.18396	1.0
415.15030	2.0
416.16281	2.8
417.16614	0.7
420.15646	0.8
430.17758	4.6
431.18433	4.7
432.19336	10.7
433.19669	1.8
434.17566	2.4
448.18488	1.1
474.16562	0.8
475.17575	11.4
476.18231	19.6
477.18576	2.5
507.20322	2.2
508.20950	10.8
509.21521	1.6
538.23322	0.7
539.23340	1.0
545.29620	0.7
563.31366	0.9
571.25623	0.8
583.22076	3.6
584.22479	0.8
599.24945	3.2
600.24786	0.8
613.26843	2.0
615.24457	9.3
616.25079	1.9
631.27692	20.9
632.28131	4.8
634.30414	0.7
643.24109	5.7
647.27167	13.4
647.36646	0.8
648.27606	2.6
657.25543	4.4
658.26312	0.9
675.26672	71.5
676.26978	15.0
689.28241	5.5
690.28253	1.3
707.28650	10.8
708.29584	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	707.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
59.01119	0.4
59.01387	5.0
61.98829	4.6
70.13303	0.8
70.13702	0.7
71.01392	1.7
73.02931	0.5
82.02971	0.5
83.01425	0.4
83.05021	1.3
85.02983	0.5
89.02438	1.0
94.02979	2.9
95.46453	0.4
96.95996	0.8
98.02499	0.4
98.19993	0.6
100.23020	0.4
101.02447	1.0
106.06579	0.4
107.03817	0.5
108.04560	8.2
108.08246	0.8
110.06108	0.4
113.02457	0.6
119.05020	0.4
120.04555	1.0
121.05354	0.8
122.06127	10.3
124.04046	2.8
130.02989	0.9
131.02321	0.4
132.04550	1.6
134.06122	3.7
135.06917	0.5
136.04056	10.1
136.07683	30.4
137.04849	2.1
137.08002	1.0
138.05634	2.3
148.04027	0.6
148.07622	0.5
150.04449	0.7
150.05598	9.0
151.06256	0.6
152.07187	1.7
153.04292	0.6
155.05891	6.8
158.02454	3.3
159.11813	0.6
160.03981	0.9
161.04607	0.6
162.05553	0.6
163.08723	0.8
164.07225	1.0
166.05103	1.0
166.08719	4.6
171.10228	0.6
174.09250	1.0
175.05136	0.4
176.03514	1.1
186.04274	0.4
186.09250	3.6
188.10765	1.3
190.05103	10.4
191.05444	0.4
199.13367	0.5
200.05910	0.8
200.10873	0.8
201.06509	2.1
201.11229	0.4
202.07274	0.8
202.08861	1.0
202.12350	1.5
202.78903	0.4
203.08212	0.6
209.11783	1.1
210.07700	1.4
212.10815	1.0
213.06573	0.8
214.07494	1.2
215.08194	2.8
216.08621	0.5
218.11806	0.9
224.09619	0.4
228.10318	3.8
229.09808	14.8
230.12044	8.3
231.11293	2.1
237.10330	0.6
239.08263	0.9
239.11899	0.7
240.09026	0.8
243.11366	1.3
245.09352	3.9
245.12897	1.1
246.66594	0.4
251.11806	0.5
253.09583	0.5
255.11398	4.3
257.09293	5.9
258.09979	2.4
259.10883	1.5
260.11569	0.6
273.12436	21.3
274.10315	0.4
274.12796	1.4
275.10364	4.7
280.12012	0.9
283.10852	1.4
290.12689	0.8
291.13486	3.0
293.09372	0.4
299.10382	0.7
307.10770	0.6
309.08926	0.4
317.11407	16.8
317.15158	0.8
318.11661	1.6
324.11252	0.5
334.11630	2.3
335.12479	100.0
336.12814	10.4
339.13474	19.7
340.13864	2.1
344.84857	0.4
366.14282	0.7
432.19394	1.0
442.17874	0.5
476.18097	2.5
477.18292	0.6
507.20258	1.0
508.20990	2.7
509.34946	0.6
581.23993	0.4
583.21924	0.6
613.26953	0.7
647.36346	1.3
657.25806	1.0
665.37445	0.8
675.26160	0.7
707.35693	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60437	0.5
58.83772	0.6
59.01377	17.8
70.09216	1.9
70.09618	1.4
71.01378	4.0
72.99304	1.1
73.02931	1.1
75.00890	0.6
76.79102	0.7
77.29096	0.7
87.00877	2.3
89.02429	0.9
93.74554	0.7
96.96001	3.0
103.00372	100.0
104.00701	2.0
105.00795	1.0
115.00392	4.9
117.03507	1.5
119.05021	10.5
120.14407	0.8
133.06604	1.2
134.03741	10.6
135.04501	1.0
145.02951	9.6
145.06602	0.8
147.04576	1.7
149.06024	2.0
159.04480	1.5
160.01691	4.3
161.06064	5.0
162.06387	1.2
163.04007	8.0
164.04321	0.9
166.12610	0.6
173.06000	0.8
175.02458	4.4
175.04012	6.4
176.04695	1.5
177.05568	1.4
178.02675	1.0
187.04008	4.2
188.04381	0.8
191.07213	3.2
193.03510	11.4
193.05096	6.6
195.05142	1.0
205.05019	1.9
206.05751	0.8
217.05034	5.8
221.08218	1.3
226.06392	0.9
235.06105	15.0
236.06499	1.8
241.08607	0.8
261.08759	1.0
265.07129	11.3
266.07663	0.7
277.07440	0.7
279.02594	0.7
321.06119	1.6
339.07172	13.6
340.07504	2.9
341.07791	1.9
369.08218	22.3
369.12857	1.3
370.08569	1.7
652.48541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14717	1.7
57.61683	1.6
61.98826	33.9
69.31660	5.0
69.32076	8.4
71.01365	5.6
73.02946	2.1
78.98584	5.5
79.95724	12.1
80.96021	3.3
80.96511	68.3
87.00864	1.9
94.98071	14.6
98.20605	3.0
106.98100	2.9
120.01862	1.6
122.97590	3.7
123.77307	1.6
125.02396	4.1
134.97609	3.7
139.58073	1.6
148.99112	4.8
152.98576	5.3
164.98595	9.0
170.65788	1.6
171.10225	3.2
206.99789	2.4
225.00729	17.2
236.14026	1.5
255.23366	2.7
453.14346	2.4
709.38361	100.0
710.38702	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	709.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03451	2.2
59.01373	4.7
61.28188	0.4
61.98817	2.1
62.39917	0.4
68.70000	0.3
71.01384	4.7
71.06158	0.8
73.02953	1.0
75.00874	0.5
75.80614	0.4
76.02199	0.4
78.95897	0.5
81.03452	0.5
83.01382	1.1
83.05023	1.4
85.02937	1.6
87.00871	1.5
89.02470	2.1
95.05032	0.9
97.06583	6.0
97.93420	0.4
101.02444	4.1
113.02441	2.2
119.03514	0.5
125.09665	0.6
127.97746	0.4
133.10208	0.5
145.04959	0.6
149.09753	0.5
151.11279	17.6
151.12509	0.9
152.11633	0.9
152.99615	0.9
161.04533	1.4
169.12337	47.3
170.12747	2.4
195.10271	3.6
201.11441	0.7
209.11797	1.4
213.11328	6.3
214.11588	0.7
225.78304	0.5
235.08165	1.6
238.82333	0.4
253.09308	2.0
277.21716	53.9
278.22058	5.5
347.96744	0.4
431.19016	1.9
449.20239	2.5
473.18030	1.0
474.57922	0.6
675.40631	0.5
709.41626	100.0
710.41882	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
59.01377	7.2
61.98820	2.2
63.31240	0.4
69.03437	0.7
70.57063	1.1
70.57423	0.5
71.01381	5.5
73.02959	1.3
76.35834	0.5
78.95894	1.0
83.01379	0.7
83.05047	1.2
85.02952	1.8
87.00877	0.9
89.02451	4.8
95.05050	0.6
95.46469	0.4
97.06584	3.4
99.00874	0.4
101.02431	4.7
113.02454	2.1
119.03484	1.3
133.10219	0.4
143.03394	0.4
151.11285	13.1
152.99626	1.0
161.04556	1.3
169.12337	100.0
170.12660	5.3
179.05658	0.7
195.10298	2.0
201.11319	0.7
209.11874	1.0
213.11314	11.9
214.11717	1.0
235.08165	2.0
253.09225	3.2
277.21710	23.1
278.22043	2.4
355.88669	0.6
431.19159	2.6
449.20267	6.2
473.17685	0.7
709.41656	95.9
710.41974	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	710.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58334	0.2
61.98830	100.0
69.15616	2.5
83.58968	0.3
96.55847	0.2
102.61160	0.3
107.84280	0.3
110.63137	0.3
114.76693	0.3
129.93704	0.2
315.92371	0.3
611.32355	0.3
647.44794	0.3
710.39606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57235	0.6
59.01376	9.5
65.00330	1.5
71.01384	5.1
73.02934	1.3
75.00867	5.6
83.01382	1.2
85.02939	0.8
87.00898	3.3
94.45291	0.6
99.00896	2.0
103.00372	32.1
115.00417	3.2
116.92863	1.8
117.03485	1.4
117.92844	0.7
119.05025	6.5
129.01935	4.4
133.01424	2.1
133.03006	0.8
133.06554	0.9
134.03737	10.7
135.04506	0.9
137.02412	0.8
142.53235	0.7
145.02942	0.8
149.02420	1.1
149.06075	2.4
151.00354	6.9
160.01630	1.5
161.06136	1.0
163.04021	7.1
171.04533	1.0
175.02472	2.9
175.03990	3.4
176.04800	0.9
177.03998	1.1
178.02766	0.8
178.99854	1.8
187.04001	1.0
191.07129	1.9
193.03488	4.8
193.05057	9.6
193.38734	0.7
194.05382	1.0
195.05106	13.7
197.02058	0.7
198.03363	1.0
199.03992	2.7
201.01909	1.4
202.35873	0.8
213.01799	0.9
215.03513	2.2
217.05057	2.4
226.02708	1.3
227.03534	3.6
230.06766	1.0
235.05989	2.1
236.06317	0.7
243.02954	5.0
255.02963	2.3
265.07184	7.5
266.07144	0.9
271.02466	56.2
272.02875	4.3
285.00433	1.3
294.36850	0.7
299.01953	100.0
300.02576	19.4
301.03497	34.2
302.03809	2.8
312.99854	2.4
313.03445	1.4
328.02264	3.1
329.02979	2.8
329.99548	0.7
330.03827	2.4
339.07019	3.4
340.07538	0.9
340.76126	0.7
341.08792	17.4
342.09103	1.5
343.04526	7.5
344.05127	1.2
345.06308	4.0
369.08243	11.9
370.08630	1.3
371.09824	2.7
415.16141	1.1
417.11838	0.8
433.62384	0.7
462.07990	18.6
463.08804	11.2
464.08685	0.8
505.09906	12.5
506.10349	2.8
507.11325	2.3
515.48419	0.7
549.12872	2.2
625.13934	1.6
667.15137	90.0
668.15509	16.3
711.18060	6.2
712.18237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53625	0.7
52.98634	0.7
59.01377	3.2
69.72673	3.2
71.01393	1.7
75.00875	2.8
75.02710	0.7
87.00887	0.9
94.56181	0.6
102.21879	0.8
103.00375	16.1
107.01395	1.1
109.02971	0.9
119.05001	1.9
121.03041	0.7
122.83043	0.7
129.01965	1.5
133.02930	1.2
134.03749	4.2
143.10834	0.7
145.02924	0.8
149.06042	1.0
151.00369	5.7
160.01689	1.3
163.04041	2.6
171.04434	0.8
175.03975	2.7
177.03970	1.0
178.99844	1.2
187.04050	1.3
193.05034	3.7
195.05089	4.6
199.03992	2.6
215.03477	1.1
217.05028	2.0
221.56535	0.7
226.02708	0.8
227.03426	3.8
243.03043	4.3
255.02914	1.5
265.07199	4.8
271.02466	62.1
272.02869	5.0
285.04327	0.8
299.01962	100.0
300.02563	19.5
301.03503	30.6
302.03854	2.1
313.03494	1.0
328.02121	0.8
329.03104	1.0
330.04016	1.0
341.08661	8.1
343.04520	2.9
369.08295	6.4
413.80566	0.8
462.08002	18.3
463.08740	11.1
505.09958	12.7
506.10687	1.7
521.46375	0.8
625.13928	1.9
667.15173	96.1
668.15582	17.8
711.18036	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	711.1778
Annotation	Syringetin 3-(,6'''-acetylglucosyl)(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01382	1.8
61.98828	0.9
65.00338	0.7
71.01374	1.7
71.51583	1.0
71.52251	0.8
72.56999	0.7
79.05121	0.7
86.07883	0.6
110.00144	0.8
115.00374	1.9
127.05165	0.7
133.01445	3.6
134.03687	1.3
136.98781	1.3
145.02995	1.1
147.00919	0.7
148.98820	1.6
149.02502	0.8
149.99565	2.3
151.00320	1.5
163.04010	1.6
164.98312	3.7
165.99084	1.9
169.02965	0.7
171.04478	1.0
173.02406	0.9
176.98309	1.1
177.98984	0.8
178.99786	2.3
181.05049	1.0
184.05208	1.0
185.02444	0.9
186.03262	4.4
187.03983	1.2
189.01971	0.8
193.05052	3.0
197.02475	2.4
198.03145	0.9
199.03925	0.8
201.01878	0.8
202.02718	2.0
212.04813	1.7
213.02007	4.8
214.02751	1.7
215.03574	1.4
225.01880	1.2
226.02643	0.8
227.03467	2.5
228.04233	1.5
229.01468	2.3
230.02113	2.0
241.01396	6.2
242.02139	3.1
242.99329	0.8
243.02925	3.6
255.02985	6.9
256.03726	2.6
257.00906	9.8
258.01654	7.7
259.02118	1.0
269.00894	3.9
270.01736	1.4
271.02457	12.2
272.03168	2.9
273.03943	1.3
283.02475	2.6
284.03116	1.6
285.00488	17.6
285.03613	1.0
286.01202	15.5
287.01776	2.2
294.50745	0.7
299.01932	10.0
300.02725	13.1
300.06018	1.2
301.03491	14.1
302.04080	1.7
312.99924	28.1
313.03552	1.9
314.00394	4.3
314.03821	1.0
315.01398	4.5
315.04861	1.5
327.01486	2.6
328.02219	56.5
329.02988	42.7
330.03757	43.8
331.04230	2.7
343.04568	100.0
344.04980	13.6
345.06143	60.9
346.06522	6.1
387.07266	9.2
387.14383	1.7
388.07639	1.3
411.06561	0.9
428.21515	0.7
463.08432	1.0
476.05762	0.8
491.08151	3.3
492.09036	3.5
505.09845	1.8
506.03131	1.0
506.10632	24.3
507.11389	33.9
508.11899	3.7
534.10205	0.8
549.12518	38.5
550.12463	5.4
591.13531	6.5
592.14270	1.3
667.15143	7.6
711.17761	90.5
712.18091	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	711.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.2
59.01379	22.1
62.65843	1.3
69.13889	4.6
69.14314	8.0
70.84753	1.1
71.01376	13.6
75.00864	13.8
85.02358	1.1
85.02925	2.7
87.00869	4.6
98.20605	2.8
99.00901	6.7
103.00368	100.0
104.00684	1.9
115.00347	3.9
117.03440	2.2
119.05012	14.7
121.02982	1.3
129.01941	12.0
131.03445	1.9
133.02931	1.4
134.03740	28.5
135.04346	1.6
145.02946	2.9
149.06067	4.8
151.00340	3.4
159.02980	1.6
160.01653	6.2
163.04013	19.1
175.02405	5.0
175.03961	12.5
176.04694	4.1
177.04044	9.1
178.02695	5.8
191.07176	7.2
193.03522	2.8
193.05049	26.4
194.05350	2.5
195.05096	36.4
196.05522	1.9
202.02705	2.2
205.04970	1.6
207.06566	3.1
217.04988	9.5
221.08139	4.6
227.03406	1.8
235.06110	4.0
243.02898	2.5
265.07150	38.3
266.07486	3.5
271.02466	35.6
272.02771	2.9
299.01950	63.1
300.02576	10.8
301.03513	20.1
302.03625	1.6
323.07938	1.8
328.01984	2.6
330.03653	2.2
341.08752	70.2
342.09052	5.0
343.04559	4.4
345.05988	3.5
355.10330	1.4
369.08203	43.5
370.08481	4.2
462.08173	10.8
463.08588	6.6
505.10147	6.4
667.15173	51.4
668.15503	10.1
711.18140	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	711.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36082	0.7
59.01374	1.3
65.00329	1.5
70.34913	0.7
70.36927	2.1
71.01377	0.8
79.51185	0.7
81.20229	0.7
90.00312	0.6
103.00360	1.4
110.00108	1.2
115.00388	1.9
116.92884	0.8
119.05042	1.0
133.01425	4.5
134.03697	1.0
136.98790	1.5
139.00414	1.0
142.69519	0.7
145.02956	0.8
149.02475	1.3
149.99614	2.8
163.04059	1.7
164.98283	2.6
165.99081	2.2
169.02934	1.4
171.04477	1.6
176.73546	0.7
176.77751	0.7
176.98228	0.8
177.99001	0.8
178.99875	2.5
180.58681	0.6
181.01532	1.4
184.05247	1.0
185.02428	1.0
186.03255	5.1
189.01938	1.0
193.05136	1.3
197.02438	2.4
198.03334	0.8
199.04007	1.2
200.04828	0.9
202.02812	2.4
205.98514	0.7
212.04781	2.5
213.01921	4.3
214.02577	1.4
215.03453	1.1
226.02565	0.8
227.03450	2.3
228.04283	1.6
229.01450	3.2
230.02248	2.2
232.03671	1.0
241.01375	8.3
242.02077	3.1
243.03012	2.3
245.04478	0.9
255.03023	4.8
256.03690	2.8
257.00916	9.9
258.01700	7.0
259.02380	1.9
269.00854	5.3
270.01627	2.9
271.02463	8.0
272.03101	2.4
273.03940	1.5
282.01700	1.0
283.02417	2.7
284.03210	1.0
285.00381	19.0
285.03546	1.0
286.01129	15.9
287.01764	2.4
299.01944	5.9
300.02814	9.3
301.03500	14.5
302.04150	2.1
312.99902	26.5
313.03293	1.2
314.00613	4.7
314.03998	1.2
315.01520	4.3
315.04694	1.0
327.01410	3.1
327.08713	0.8
328.02228	55.0
329.02975	41.4
330.03772	44.2
331.04016	3.6
343.04565	100.0
344.04990	11.9
345.06125	65.4
345.12241	1.1
346.06433	6.0
367.08331	0.8
387.07220	10.6
387.12399	0.7
387.14426	1.1
429.08231	0.9
491.08371	2.9
492.09189	3.9
505.09668	1.0
506.10614	27.9
507.11407	35.6
508.11417	3.3
530.23511	0.8
534.09784	1.4
548.11835	1.3
549.12445	41.0
550.12848	6.3
591.13550	7.4
667.14709	3.2
696.15594	1.3
711.17731	88.2
712.18109	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	713.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71840	1.5
56.16989	1.4
57.03432	2.5
58.00564	1.6
59.01378	100.0
61.98830	54.2
71.01379	43.2
71.01775	2.3
71.52178	2.2
72.99300	3.1
73.02942	10.7
75.00894	1.5
78.37073	1.6
83.01381	4.9
85.02947	12.9
87.00867	4.9
88.98804	2.9
89.02441	30.9
89.07706	1.7
94.02967	2.4
95.01404	3.5
96.96011	14.7
99.00867	3.1
99.92581	7.2
101.02440	25.7
113.02446	22.6
115.92073	3.9
116.92854	32.1
117.92828	1.8
119.03509	12.1
119.04956	1.7
125.02424	1.8
134.03717	3.1
136.07672	7.3
138.05626	2.1
143.03453	4.5
149.04541	2.4
161.04509	6.7
179.05565	6.8
190.05060	2.6
239.13130	1.5
309.04123	1.8
363.65039	1.6
408.50485	1.7
426.65384	1.6
447.27603	2.1
465.28610	6.3
508.14169	1.6
520.20959	3.2
609.23157	3.0
609.32727	49.7
610.33264	10.1
617.26569	1.7
627.33820	46.0
628.34314	9.7
669.34705	12.9
713.24548	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	713.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.8
57.03437	4.8
59.01381	85.6
61.98832	23.0
69.03446	1.9
69.11063	1.1
70.08723	3.6
71.01382	47.6
72.99290	2.4
73.02945	13.5
75.00861	1.6
83.01397	9.1
85.02949	28.3
86.00098	1.3
87.00875	3.6
88.51785	1.2
88.98794	1.3
89.02443	11.3
95.01399	5.8
96.95997	3.7
97.02971	3.0
99.00870	5.2
99.92585	2.8
101.02440	32.0
103.00349	1.4
111.00851	3.6
112.01679	1.3
113.02448	22.9
113.93528	1.2
116.92847	5.3
119.03493	3.7
124.01620	3.0
125.02452	5.2
136.07716	2.0
138.26846	1.1
143.03477	4.7
159.02995	1.4
161.04564	5.6
192.17688	1.2
194.96349	1.3
198.35736	1.0
423.15741	2.6
442.07724	1.3
465.28793	1.8
609.32782	100.0
610.33215	20.6
627.33832	75.1
627.41565	1.3
627.44751	2.1
628.34094	13.4
669.34985	23.5
670.35199	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	713.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	19.9
61.98832	54.9
62.92566	6.6
71.01376	14.6
71.52116	7.4
79.01723	6.4
89.02448	18.2
101.02431	14.9
103.05329	9.3
104.50098	6.8
116.92867	31.0
122.50980	6.6
125.02412	6.9
200.85880	7.7
215.88564	6.2
235.08304	7.1
260.42719	6.8
279.23233	50.1
325.82101	6.8
397.13516	100.0
415.14478	18.9
534.31580	8.2
535.14398	7.9
573.96564	7.8
585.72211	8.3
632.68671	6.7
677.37329	11.0
711.98395	9.3
713.35046	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05520	0.5
59.01378	14.8
61.98820	1.6
69.43939	3.3
71.01375	2.6
74.53381	0.5
85.02956	0.6
85.27233	0.5
87.00873	0.5
89.02438	1.7
101.02448	1.3
111.08152	2.2
112.44991	0.5
113.02429	0.6
113.09745	2.0
122.60339	0.5
139.07666	2.4
152.26678	0.5
157.08694	100.0
158.09033	3.6
179.05675	0.5
235.08240	1.3
253.09283	5.8
254.09714	0.6
277.21719	48.4
278.22110	5.7
393.17743	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	713.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31042	0.6
57.49101	0.6
59.01379	17.6
61.98815	1.9
70.46246	0.8
70.46597	1.9
71.01389	2.2
79.74705	0.6
89.02454	1.5
101.02473	3.8
111.08142	0.8
113.09705	2.0
116.92775	0.8
127.88846	0.6
139.07613	2.3
145.04967	0.8
157.08696	80.9
158.09026	3.1
161.04593	1.0
161.59930	0.7
235.08229	3.3
253.09270	8.9
277.21710	100.0
278.22098	9.9
388.67126	0.7
462.64066	0.9
513.30981	1.4
596.16986	0.8
682.72314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
60.00262	0.5
68.61312	0.5
75.00887	0.5
85.02952	0.5
107.09020	0.5
115.14394	0.5
119.05051	0.8
131.16351	0.5
144.38170	0.5
178.49518	0.5
225.15945	0.6
230.13536	0.6
241.14436	0.7
265.93735	0.6
677.49567	2.1
713.47333	100.0
714.47668	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	20.8
67.53944	0.7
69.15311	7.0
71.01391	4.9
72.99298	1.2
87.00875	2.9
87.06671	0.8
89.02437	2.0
90.89380	0.7
93.03453	0.9
94.03017	1.0
98.20602	1.8
98.38035	0.8
99.00867	0.9
103.00368	100.0
104.00713	1.7
115.00362	4.6
116.92790	0.8
117.03451	3.5
119.05029	20.8
120.05355	1.2
121.02971	2.0
131.05025	0.8
132.05797	1.2
133.02887	0.9
133.06561	2.7
134.03743	1.2
135.04529	2.3
145.02951	21.4
145.06587	0.9
146.16632	0.7
147.04488	0.8
149.05998	0.9
159.04527	2.7
161.02428	2.4
161.06071	11.2
163.04005	20.4
173.06064	1.1
175.02499	7.8
175.42654	0.8
176.02420	0.7
177.05603	4.1
187.04010	13.4
188.04311	0.7
191.07123	4.5
193.03520	16.0
193.05103	0.9
203.03482	0.7
205.05037	3.9
215.67572	0.7
217.05069	1.5
235.06088	34.1
236.06435	2.5
251.05528	3.7
263.29538	0.7
277.07095	1.4
321.06042	2.2
339.07172	62.7
340.07443	6.7
355.06686	5.3
628.95074	0.8
736.77081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.6
55.85221	1.2
57.03445	2.9
58.00596	2.2
59.01381	85.3
61.98833	21.0
63.20531	1.3
69.03452	2.2
69.15280	14.5
71.01382	51.8
72.01708	1.4
72.99290	2.4
73.02945	10.7
74.64732	1.3
78.90365	1.4
83.01396	7.1
84.95152	1.2
85.02943	21.7
85.66190	1.3
86.00086	1.6
87.00871	4.8
88.80309	1.3
88.98806	2.6
89.02448	22.8
95.01371	5.3
96.96006	9.5
97.02968	3.3
99.00881	3.8
99.04518	1.4
99.92560	3.8
101.02450	26.7
103.00384	1.8
111.00916	3.4
113.02460	23.0
116.92859	11.4
117.92850	1.6
119.03475	6.6
124.01653	2.1
125.02456	8.0
135.08170	8.5
136.07649	1.4
143.03462	2.4
161.04556	5.6
171.10287	2.8
179.05589	2.3
205.38068	1.3
260.35468	1.5
264.57651	1.2
390.34680	1.4
399.94116	1.4
401.23251	1.6
449.81503	1.4
457.28043	2.5
467.29932	1.8
475.29016	2.3
564.90369	1.6
611.34247	100.0
612.34808	16.8
629.35345	83.8
630.35693	14.3
637.32489	2.9
671.36597	26.2
672.36810	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	715.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06664	0.6
55.01878	2.4
57.03443	2.3
58.00602	2.5
59.01378	100.0
60.01731	0.9
61.98829	1.4
68.99804	0.6
70.10289	0.7
71.01381	47.5
71.29307	1.1
72.99310	2.6
73.02949	6.9
74.06927	0.6
83.01385	3.9
85.02947	15.6
86.00104	1.0
87.00902	2.7
89.02444	33.1
95.01376	5.0
97.02946	1.3
98.61494	0.7
99.00895	1.4
101.02441	23.6
102.02824	0.8
111.00932	1.5
113.02448	25.8
119.03505	11.8
124.01704	1.4
125.02464	3.4
143.03528	4.5
149.04568	1.2
152.38770	0.7
161.04533	4.9
168.83769	0.7
173.15335	0.8
179.05592	3.2
218.80548	0.7
250.12843	0.7
330.65549	0.7
449.29166	1.5
548.95892	0.8
563.32703	1.2
582.96960	0.7
611.34326	83.3
612.25104	0.9
612.34613	19.5
629.35413	72.6
630.35797	14.0
671.36530	30.0
672.36530	5.4
715.27515	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27607	0.6
59.01379	11.7
61.98830	3.0
71.01382	2.5
71.05897	1.3
73.02933	1.0
85.02956	0.8
89.02452	1.3
96.21104	0.6
101.02422	3.4
104.89336	0.6
113.02475	0.9
113.09722	4.2
159.10265	66.6
160.10579	2.9
161.04559	2.0
162.82014	0.6
171.51776	0.7
179.05634	0.7
235.08238	5.8
253.09264	11.8
277.21707	100.0
278.22067	10.3
395.19269	0.9
419.31558	4.2
420.31723	0.7
459.60867	0.7
513.30457	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	715.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.9
61.98832	1.9
71.01380	1.7
71.08569	1.6
82.01196	0.5
85.02936	0.8
89.02440	1.7
90.19516	0.6
101.02441	1.4
113.02438	1.3
113.09734	6.8
116.92921	0.6
141.09212	1.0
157.08701	0.6
159.10265	100.0
160.10579	4.2
161.04587	1.3
198.99648	0.6
228.52068	0.7
235.08263	1.9
253.09271	14.5
254.09631	1.0
277.21719	55.1
278.22043	5.7
395.19244	1.8
419.31689	11.3
420.31995	1.9
613.58643	0.6
701.08380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.1
71.01386	3.9
72.99290	0.6
73.02938	1.5
75.00875	0.9
78.01603	0.5
84.77975	0.6
85.02927	1.3
87.00870	4.0
89.02457	0.6
89.03983	0.7
93.69652	0.5
99.00932	0.6
99.04522	0.6
103.00373	100.0
104.00711	1.4
107.87640	0.6
113.02469	0.9
115.00388	5.2
117.03456	2.4
119.05048	0.9
121.02827	0.6
128.03537	1.9
133.01471	0.7
133.02956	1.3
134.03743	31.2
135.04469	2.0
136.01694	0.9
147.04497	1.2
148.05324	0.8
149.06114	4.9
158.03709	0.7
160.01663	5.7
163.04027	1.8
164.04713	0.8
174.03229	0.5
175.02477	6.4
175.04016	13.4
176.04767	4.4
177.02078	0.7
178.02696	0.9
191.07127	8.9
192.04312	1.3
192.07436	0.8
193.03494	7.4
193.05078	16.5
194.05420	1.0
195.05046	1.1
202.02701	2.5
206.05795	1.2
207.06583	2.9
217.05038	11.1
218.05446	1.0
221.08186	3.4
230.06750	1.3
235.06070	4.4
236.06511	0.6
265.07178	33.5
266.07504	2.2
307.08200	1.1
341.08725	1.0
348.49271	0.6
351.07281	0.7
369.08243	53.5
370.08679	4.4
473.92209	0.6
607.54651	0.6
716.31262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
60.90825	0.1
61.98829	100.0
62.98543	0.2
70.65099	0.1
71.01379	0.2
72.01720	0.1
89.02428	0.2
95.26777	0.1
98.20649	0.2
228.53935	0.1
255.23396	0.1
256.23752	0.3
257.24002	0.1
338.63107	0.1
397.13748	0.1
398.14276	0.2
399.14252	0.2
400.14380	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	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51599	0.1
59.01383	0.1
61.98829	100.0
62.98529	0.2
63.12214	0.1
71.01406	0.1
72.26099	0.1
89.02444	0.1
98.19918	0.2
114.67868	0.1
161.47498	0.1
255.23346	0.2
256.23703	0.2
275.53610	0.1
364.89056	0.1
397.13721	0.1
398.13705	0.2
399.13931	0.2
417.15063	0.1
435.26740	0.1
656.37964	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	716.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28539	0.2
60.25631	0.2
60.54308	0.2
61.98830	100.0
66.62263	0.2
71.51682	0.3
94.96114	0.3
103.13531	0.2
137.57599	0.2
157.08688	0.3
158.09021	0.3
166.76857	0.3
171.10316	0.3
255.23375	0.3
277.21921	0.4
528.15479	0.3
717.35229	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22366	0.3
57.39093	0.4
58.02974	7.4
59.01371	0.5
59.60088	0.3
70.02979	6.0
72.00910	2.0
72.04536	1.4
72.08215	0.3
74.02474	37.8
85.81883	0.3
98.02473	8.1
99.83331	0.3
116.03543	10.3
116.05057	13.5
117.05393	0.7
130.06636	1.1
142.06630	3.0
150.83064	0.4
159.09267	2.6
182.16734	0.4
183.09282	1.2
186.05606	1.0
201.10300	3.3
203.08258	37.5
204.08568	2.4
245.09290	100.0
246.09647	8.3
289.08258	0.6
434.12421	0.4
531.04462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18133	0.2
59.01363	0.7
59.50728	0.2
61.98842	0.5
63.02135	0.3
63.02413	0.8
65.00342	0.8
69.57636	1.4
78.34105	0.3
78.85710	0.2
83.01382	0.5
87.00889	0.3
89.44732	0.3
93.03463	1.5
101.02482	0.3
107.01413	1.0
117.03465	1.8
121.02950	0.3
122.01857	0.3
122.06129	0.4
135.00862	0.5
137.02399	0.3
143.05028	0.4
151.00346	2.6
154.04227	0.3
155.05032	0.8
159.04561	1.4
163.04025	0.4
165.01942	0.4
167.05032	0.6
169.06561	1.0
171.04543	1.0
173.02408	0.5
182.03610	0.6
183.04510	5.1
184.04897	0.4
185.02449	0.5
185.06108	0.6
187.03951	1.2
189.05568	0.8
195.04248	0.3
197.06079	0.3
199.04007	0.4
211.03984	3.4
213.05586	0.9
215.03456	0.6
227.03502	7.5
227.05754	0.5
228.03909	0.6
229.05055	0.7
239.03479	0.7
241.04948	0.4
243.02917	0.5
255.02974	54.7
256.03369	4.9
257.04523	1.1
257.44290	0.3
269.04541	0.9
271.15683	0.4
279.07645	0.3
281.04562	0.8
283.02466	100.0
284.02972	12.8
285.04022	64.7
286.04358	5.0
297.04022	1.2
298.04834	0.6
299.05807	0.4
308.07828	0.4
309.04099	0.8
309.08939	0.4
314.04922	0.4
327.05008	3.0
328.05231	0.5
335.12769	0.4
375.09357	0.3
425.26605	0.3
480.17728	0.6
489.10333	11.1
490.10571	1.5
516.12665	14.1
517.13458	29.5
518.13721	4.2
531.10962	1.4
532.11499	0.3
584.29608	0.3
676.82440	0.3
721.19781	47.2
722.20154	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	721.309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.2
61.98832	80.3
71.01380	5.3
71.52556	2.3
73.85455	1.6
74.93755	1.5
88.98798	3.6
89.02422	2.1
94.02983	8.4
96.96009	2.5
101.02433	2.8
103.00353	2.4
108.08198	5.7
109.96332	1.9
113.02439	2.8
116.92854	2.5
121.05344	4.7
130.06641	1.9
134.06126	4.9
136.07684	96.1
137.08028	3.0
138.05583	4.5
153.04321	2.9
171.10297	4.4
175.02278	1.7
176.67253	1.8
185.11819	1.9
209.11868	9.9
225.11240	3.6
250.07478	2.9
259.10806	3.8
263.08179	5.6
265.09793	8.8
277.09894	5.4
278.06931	7.0
290.06702	2.3
291.07956	3.6
292.91992	2.0
293.09268	28.5
294.09631	3.8
305.09430	12.9
306.10049	2.7
306.92706	2.1
308.07742	2.2
414.18436	5.2
426.14212	2.3
432.15564	5.7
441.16818	2.5
442.17700	21.2
443.18085	2.5
444.15048	3.8
468.15872	4.4
474.20386	2.5
486.16727	39.4
487.16968	6.3
488.22000	5.2
501.18842	2.8
517.85913	1.8
518.19122	2.4
532.21246	3.7
533.21252	2.5
534.21912	1.9
553.24872	2.7
581.24316	14.0
582.24280	5.3
596.24957	2.2
613.27051	11.2
625.22571	9.8
626.23358	3.5
645.28632	2.8
646.29382	2.6
657.25635	100.0
658.25934	22.9
689.27960	32.4
690.28412	6.5
721.27942	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	721.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10931	1.2
61.98833	34.8
70.66022	2.8
70.66378	2.2
71.01385	2.5
82.02995	1.7
94.02992	9.7
95.34615	1.3
99.92558	1.4
101.02453	1.4
108.08183	4.0
116.92854	8.2
121.05328	5.0
130.50630	1.2
134.06110	3.7
136.07684	86.0
137.08038	3.6
138.05614	2.3
153.04312	3.2
171.10324	2.6
185.31223	1.2
209.11795	5.1
225.11012	1.7
237.10350	1.3
245.82565	1.2
249.10330	2.0
250.07271	3.1
253.09543	1.5
259.10800	2.9
261.58240	1.3
263.08212	2.9
265.09814	10.6
266.10135	1.3
267.11322	1.6
276.08789	1.9
277.09735	5.4
278.06943	5.3
291.07758	5.5
292.08575	1.7
293.09323	27.5
294.09778	2.0
305.09369	12.5
306.09946	4.3
325.12088	1.4
337.08221	1.7
347.56549	1.5
384.13409	1.8
385.14032	1.8
413.17587	1.8
414.18457	7.5
415.18756	2.0
432.15594	6.3
441.16934	2.5
442.17752	22.6
443.18134	4.7
444.15540	4.0
456.19598	3.1
458.17224	1.8
460.61758	1.4
468.15283	2.3
474.20148	3.2
486.16687	38.7
487.16986	5.7
488.22009	6.2
501.19049	5.7
518.19012	3.2
532.20801	4.4
553.24066	2.4
581.24066	11.8
582.24487	3.1
613.26489	13.4
614.26331	1.8
618.69226	1.7
625.22760	9.1
645.29279	5.4
657.25653	100.0
658.26013	19.1
689.28253	39.5
690.28418	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	721.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01784	0.5
59.01371	2.0
61.98546	0.7
61.98832	10.0
69.17133	6.3
71.01368	0.9
79.05498	0.7
82.02966	0.6
83.05025	12.1
84.05373	0.7
86.02475	16.5
91.76359	0.5
93.03438	0.6
94.02972	6.3
96.04556	6.0
96.96020	0.8
97.55323	0.6
98.20693	1.4
106.06650	0.6
107.05058	4.5
108.08191	1.1
116.92802	0.8
121.05338	24.1
124.04020	0.8
132.04547	0.9
134.06090	2.6
136.07680	38.4
137.08032	1.3
138.05594	3.7
147.06905	8.1
150.05618	13.2
158.02509	3.0
162.09229	8.4
164.07159	1.7
171.10204	1.6
176.03397	0.8
176.07085	1.4
180.10283	1.1
186.09222	6.4
186.33556	0.6
187.10129	3.3
190.05107	13.8
191.05478	0.7
196.07703	0.8
201.11537	1.2
202.12376	20.6
203.12677	1.2
209.11806	1.9
213.06647	1.0
213.10280	1.2
214.07169	1.3
214.08893	1.2
215.08194	1.9
216.13873	1.9
217.11212	0.7
224.09224	1.5
225.11252	1.0
227.11884	1.7
228.08936	1.0
229.09570	2.6
229.11172	3.2
230.10486	3.4
232.13431	0.9
237.10205	1.0
239.08257	8.5
243.11395	6.6
244.08438	1.8
244.13734	6.9
245.09108	1.1
245.12917	14.5
246.13266	1.5
253.09743	1.4
254.10602	33.2
255.11269	7.8
257.06848	1.2
257.09311	14.6
258.09680	1.5
259.10825	8.3
260.11536	1.9
267.11456	0.8
269.12918	8.2
270.13220	1.1
271.10742	0.7
272.11664	26.9
273.12155	2.1
275.10477	6.7
275.13470	1.4
277.06192	0.6
277.12027	1.1
279.11499	1.1
280.11826	0.7
285.08945	0.7
285.12219	0.8
287.14011	21.6
288.14337	2.0
289.12009	2.6
290.12671	5.6
305.15051	100.0
306.15384	7.6
307.10858	2.3
311.13095	0.9
316.10629	2.3
331.12936	1.8
334.11618	3.9
339.13467	41.7
340.13785	4.4
346.15829	0.7
349.14032	94.6
350.14447	8.6
357.14542	1.0
381.16669	1.1
388.20416	0.9
403.15060	2.3
405.01077	0.7
439.11319	0.7
488.21927	6.0
489.22455	1.3
492.21371	2.4
493.21841	0.9
522.22522	2.8
539.23059	1.0
553.24463	1.0
581.23865	2.7
595.25012	0.9
613.26965	6.8
614.26746	1.9
617.26373	1.8
618.26227	0.8
627.28326	1.7
645.29309	3.0
689.25861	1.4
721.31006	4.2
722.32123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.0
61.98828	29.4
69.41505	7.7
70.51379	1.1
71.01379	2.3
73.96680	1.2
80.05051	7.6
81.61036	1.1
82.02968	3.1
86.73389	1.1
94.02370	1.5
94.02983	26.1
96.04531	1.5
96.95971	1.1
98.19894	1.4
99.92542	1.1
104.05059	2.9
106.06611	6.1
107.95498	1.2
108.04552	2.6
108.08209	5.7
110.02467	2.5
116.92837	3.6
121.05331	4.5
122.02505	1.7
122.09716	2.5
124.04048	26.7
125.04440	1.5
127.16336	1.1
127.17307	1.2
132.04567	1.4
134.06123	4.5
134.89468	1.5
136.04030	3.1
136.07687	100.0
137.08028	4.3
138.05615	7.7
148.04094	2.7
150.01939	1.6
150.09250	6.0
152.03563	1.4
153.04305	3.1
160.04068	2.7
161.04745	1.5
164.03413	1.3
164.07159	5.3
174.05580	2.3
176.07153	1.4
178.05067	4.9
190.05095	2.3
199.26880	1.1
209.11734	2.3
210.07704	4.2
211.13290	1.8
213.10223	1.2
218.08214	8.6
220.13383	1.2
223.08716	2.5
228.12709	2.6
229.13422	7.3
235.08629	1.9
237.10280	2.7
241.09958	1.6
243.11600	1.4
243.14934	4.1
245.09270	1.6
248.09540	2.0
249.06639	2.7
249.10263	2.2
250.07451	2.3
251.08180	4.2
252.08960	1.5
255.11360	1.2
257.09280	2.5
259.10852	5.9
261.10495	1.2
263.08200	4.3
264.08994	3.4
265.09778	9.3
266.10504	2.1
267.11349	4.2
277.09882	3.3
279.07935	1.3
279.11441	3.4
281.09430	1.8
283.10690	1.5
288.11011	2.0
289.08215	4.4
289.11484	1.3
290.12711	1.7
291.07611	1.7
293.09283	3.1
295.07486	1.9
295.10837	2.8
297.12341	5.5
303.09875	2.4
304.10626	1.4
305.08954	1.3
307.10898	3.3
308.07980	2.7
308.11267	1.5
309.08789	4.7
309.12405	2.5
310.09390	1.3
316.10590	2.0
323.10394	14.3
323.13824	2.2
324.10989	5.1
325.11951	5.3
331.12918	1.4
334.11777	7.3
336.11102	1.4
337.11932	2.0
340.14160	1.3
342.12146	1.7
344.13821	1.2
349.13937	5.5
367.09384	2.2
370.15607	1.8
372.13327	1.4
372.17355	1.8
384.13345	1.2
386.18869	2.0
388.20505	1.7
390.14606	1.4
398.14929	1.4
402.14566	1.8
404.15845	1.7
412.20453	2.1
414.18216	4.3
415.19046	1.6
416.19995	2.1
422.17252	1.9
428.19455	3.0
430.13889	2.5
431.14371	2.3
442.18073	1.8
444.15265	2.2
445.20035	1.7
446.20828	2.8
456.19382	5.5
457.19315	1.8
458.17300	3.5
464.17841	2.0
472.18707	2.4
473.19464	4.6
474.20282	5.4
488.21869	22.9
489.22198	4.4
490.19916	1.5
500.18256	1.4
506.22748	5.6
517.18384	3.9
518.18964	6.8
532.20856	20.2
533.21130	2.5
538.22302	1.6
549.21057	4.1
553.24353	4.1
564.23425	31.1
565.23492	5.0
585.27216	1.5
595.25482	7.1
596.25439	1.6
597.23553	9.9
598.24017	5.1
613.26581	23.4
614.26727	4.3
627.27960	3.9
629.26147	15.8
630.26367	1.9
639.24573	7.9
640.24335	3.6
645.29034	9.2
646.28986	1.8
657.25592	42.2
658.25757	7.7
661.29187	6.0
671.27325	19.9
672.27454	5.0
689.28217	99.0
690.28479	20.5
703.29315	7.8
721.30792	29.4
722.30481	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	721.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.0
60.21794	1.7
61.98830	100.0
63.03330	1.6
69.69763	4.1
69.70189	5.2
71.01382	6.6
79.95703	2.1
80.96496	6.2
82.02953	1.5
88.98810	1.6
91.05273	1.7
94.02980	12.0
98.20609	3.2
101.02375	2.2
103.00377	1.6
106.06600	1.9
108.08165	3.6
108.24947	1.5
116.92861	6.0
121.05330	3.6
124.04015	4.4
126.58451	1.5
134.06136	5.8
135.97826	1.6
136.03987	1.6
136.07675	58.4
137.08022	3.5
137.09741	1.7
138.05597	3.7
150.15573	1.4
159.10336	1.7
161.44400	1.4
174.88957	4.2
197.11827	2.8
209.11824	6.2
211.13365	2.2
215.12778	2.4
237.10229	2.0
257.63098	1.6
263.08359	2.7
265.09698	4.7
277.09717	2.2
278.06985	3.5
278.10464	1.4
279.07376	1.4
291.07578	2.9
293.09399	15.1
294.09827	2.0
305.09277	7.2
306.09979	3.2
358.00217	1.6
370.15570	1.8
384.13306	2.5
399.15778	2.0
414.18588	3.5
426.14374	3.4
432.15457	2.8
441.16745	6.3
442.17892	10.4
443.18262	2.3
444.15408	2.7
456.19257	2.7
468.15750	2.8
474.19852	2.7
485.16010	6.1
486.16708	21.7
487.17154	2.5
488.21878	3.1
500.17862	2.2
501.18930	3.3
518.19452	2.7
532.20886	14.4
533.21582	5.4
549.20862	2.3
553.24237	2.1
564.23517	3.3
581.23975	10.4
613.26465	8.8
621.18140	1.6
625.23083	8.2
657.14606	3.4
657.25592	62.7
658.25818	10.5
671.27509	4.1
689.28259	30.4
690.28156	8.0
703.28754	2.2
721.30566	12.8
722.31561	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	721.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01379	64.3
61.98847	2.6
66.32495	1.2
71.01389	6.1
72.70827	1.1
73.02943	1.4
81.03474	1.1
83.01398	1.5
83.05029	1.3
85.02953	1.7
89.02442	5.6
95.01408	1.2
95.05018	4.8
97.02939	2.3
98.78180	1.3
101.02447	5.5
109.06602	10.6
110.03734	2.0
113.02460	2.3
125.09684	1.3
135.08157	1.5
149.09749	1.3
161.04515	2.2
161.09741	1.8
163.11272	10.4
179.05568	1.5
179.10728	2.1
181.12384	1.5
189.09239	4.8
193.01080	1.1
197.11711	1.5
207.10252	41.6
208.10574	2.5
225.11310	100.0
226.11597	3.9
235.08215	6.6
253.09273	9.8
277.21716	71.4
278.22079	6.5
348.61343	1.1
443.19110	8.4
461.20236	19.3
462.20599	1.3
683.40332	2.3
721.41693	20.6
722.42352	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	723.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53479	0.8
59.01370	8.3
61.42954	0.9
61.98857	1.0
67.16109	0.9
68.99586	2.4
71.01378	3.6
72.78458	0.9
85.02940	1.0
87.00905	1.2
89.02420	0.9
93.03458	2.8
94.03007	2.0
96.96019	1.9
101.02434	1.0
103.00375	48.7
103.16885	0.8
107.03805	1.2
108.04559	7.0
111.00903	1.1
112.98544	2.3
115.00372	1.7
117.25820	0.9
118.06480	1.0
119.05029	27.3
120.04574	1.1
122.06120	13.6
122.69533	0.9
124.04020	2.5
124.07673	0.9
132.04515	1.5
133.06586	2.9
134.03711	2.5
134.06131	2.3
136.04050	9.6
136.07681	9.7
137.02470	3.8
137.04842	1.5
137.09743	1.6
138.05638	2.7
145.02943	7.6
149.06105	3.4
150.05592	8.8
152.07175	16.3
155.05884	6.2
155.10768	12.6
156.11021	1.0
158.02449	2.7
160.04063	1.1
161.06061	4.4
163.04002	21.7
164.04408	1.0
166.08740	4.1
172.07608	1.0
175.02435	3.4
176.03500	1.3
177.05469	1.1
186.09251	2.8
187.04024	1.9
188.10854	1.2
190.05104	13.5
192.06639	1.3
199.09743	18.0
201.06627	1.3
202.07382	1.2
202.12300	1.7
205.04987	5.8
212.10892	1.4
214.07300	1.1
215.08220	2.5
218.13834	1.1
228.10251	3.0
229.09792	12.5
230.12042	8.1
231.11378	1.9
235.06175	1.6
237.10423	1.5
240.09190	1.2
243.16116	2.6
245.09274	4.6
255.11343	3.2
257.09338	5.5
259.10672	1.4
260.11533	1.3
270.01666	1.3
273.12442	20.5
274.12994	1.3
275.10349	4.7
281.06686	2.9
283.10706	1.3
285.17227	1.1
291.13556	2.8
294.75537	1.0
295.25043	1.0
296.11444	1.2
299.10422	1.6
313.03531	3.9
313.10867	1.8
315.05136	2.6
317.11423	18.3
318.11679	2.5
334.11746	2.3
335.12473	100.0
336.12769	9.2
355.12985	27.2
356.13364	3.0
361.15024	3.6
434.57251	1.0
445.11249	3.6
492.18015	2.4
517.17078	4.3
519.11603	2.5
523.19568	1.4
524.20502	2.1
547.18134	6.0
589.19257	1.6
633.18414	1.3
691.25836	1.9
723.21478	5.5
724.20581	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	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34972	0.1
56.30938	0.2
57.03451	0.2
58.00596	0.2
58.71816	0.2
59.01378	3.7
61.98822	1.3
63.19436	0.1
67.26173	0.1
71.01377	3.3
71.40851	0.2
72.99303	0.2
73.02950	0.7
78.02817	0.2
80.02672	0.9
81.03460	1.1
83.01385	0.4
83.05025	4.4
84.02171	0.4
85.02961	0.8
87.00870	0.5
89.02438	1.9
95.01400	0.3
95.05035	0.7
97.02957	0.3
97.06618	0.2
99.00903	0.3
99.04504	0.2
101.02437	2.3
109.06573	0.3
111.08186	0.2
113.02420	1.4
117.20306	0.1
119.03514	0.5
125.02448	0.2
125.06090	0.5
134.73643	0.2
135.08163	0.5
138.61665	0.2
143.03522	0.3
145.05054	0.3
147.11758	0.2
161.04575	0.9
163.11293	3.4
165.12820	2.1
179.05624	0.3
181.12329	0.7
191.10728	0.6
199.13345	0.7
207.10266	0.3
209.11812	100.0
210.12154	6.6
225.11325	0.4
227.12869	11.4
228.13239	0.6
233.22925	0.2
235.08220	3.2
236.08659	0.2
242.79590	0.2
253.09265	9.0
254.09660	0.6
259.20685	0.2
275.20081	0.2
277.21701	76.5
278.22040	8.3
279.23178	0.4
445.20657	0.9
463.21674	0.4
487.49765	0.2
513.30444	0.3
550.91467	0.2
723.43268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69761	1.0
59.01364	2.0
59.81638	1.2
61.98830	28.7
62.15252	0.9
71.01324	1.1
80.05058	2.6
82.02981	2.8
94.02987	33.9
96.04572	1.0
96.96017	1.7
105.05839	1.4
106.06599	1.3
107.56784	1.1
108.04555	1.3
108.08173	4.8
116.92828	3.4
120.08195	20.2
121.05338	4.4
122.06055	1.4
132.04536	2.1
134.06119	2.0
136.04077	1.9
136.07680	96.5
137.07999	4.7
138.05627	14.7
152.07126	1.6
153.04321	2.2
164.07120	1.5
174.05559	1.4
189.60721	1.2
190.05017	4.2
209.11830	1.5
211.12538	1.6
223.08868	6.8
224.09407	2.9
225.10306	1.5
225.54660	1.1
229.13394	4.5
235.12482	1.5
237.10263	6.2
238.11018	4.0
239.11864	6.6
241.13481	1.3
249.06618	1.7
251.08224	1.4
251.11864	4.1
253.13451	2.5
263.08209	2.6
264.09058	6.2
265.09674	5.4
267.11179	1.4
271.10785	1.2
276.09186	1.7
277.09857	3.0
278.10544	3.4
279.11386	25.3
280.09006	1.4
280.11914	5.7
281.12793	2.3
283.10916	1.5
291.11285	6.3
292.12064	2.3
293.09723	1.1
293.13058	2.1
297.12582	2.1
303.13486	1.3
305.09195	1.2
307.10800	3.7
309.12430	1.7
309.95206	1.4
310.13095	1.3
315.01752	1.0
322.09653	1.5
323.10101	2.5
324.11221	2.1
339.13486	2.3
371.16165	1.3
372.17203	2.9
376.16687	1.7
386.18823	7.4
387.19177	3.5
388.20480	1.5
400.16125	1.5
400.20624	1.7
401.20810	1.4
414.18451	1.1
426.18332	1.5
427.18860	3.7
428.19882	12.0
429.20459	3.8
432.19305	5.8
444.18988	1.5
445.19925	3.0
446.20703	2.6
455.18448	4.6
456.20639	1.1
472.18671	9.0
473.19501	17.6
474.19394	2.3
504.21365	19.9
505.21875	1.9
525.25256	2.1
567.25983	1.8
569.24103	3.3
582.58875	1.2
585.27246	7.2
601.26538	6.8
611.24994	12.5
612.25684	3.3
629.26147	100.0
630.26489	22.5
643.27728	11.8
644.28046	1.4
661.28729	75.4
662.29150	15.0
664.06250	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
63.02402	0.6
64.69689	0.5
65.00333	0.7
69.77764	2.6
71.01368	1.0
76.64829	0.5
81.61823	0.5
83.01395	0.8
89.02432	0.7
103.00378	4.9
107.01400	1.1
115.00369	0.8
119.05003	1.6
125.02445	0.6
133.01358	0.9
148.01628	1.0
149.99501	0.8
151.00372	5.9
163.00351	0.9
163.04079	1.3
164.01169	0.9
165.01682	0.5
184.05391	0.6
187.64502	0.5
189.01849	0.8
193.03528	3.1
199.03999	1.5
200.04810	0.7
201.01897	0.6
211.03940	0.6
214.02675	1.6
215.03479	2.4
216.52565	0.5
226.02728	1.2
227.03418	3.0
228.04195	0.6
241.01407	1.5
242.02203	15.7
243.02957	22.6
244.03387	1.7
245.00897	3.7
254.02206	0.9
255.02902	1.9
257.04572	6.5
270.01675	26.9
271.02432	27.0
272.03009	2.2
282.01663	0.6
283.02542	0.8
285.04041	17.3
286.04767	4.3
287.05444	0.6
298.01138	7.6
299.01987	10.1
299.05319	1.3
300.02719	25.5
301.03162	2.0
311.05536	0.8
312.02835	2.5
313.03531	77.4
314.04257	47.6
315.05075	68.5
316.05420	6.3
327.05096	2.2
329.06656	1.0
339.07184	1.0
340.79901	0.6
356.05670	1.1
357.06186	7.7
358.06491	1.0
381.05872	0.9
461.07336	2.2
474.08008	0.7
476.09613	9.3
477.10352	16.8
478.10651	2.3
519.11420	100.0
520.11743	17.3
541.13519	1.5
561.12463	13.6
562.12659	2.0
585.12488	2.0
587.86676	0.7
603.13922	0.7
639.16638	0.7
681.16638	45.2
682.17163	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	725.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23507	0.7
53.74425	0.6
54.25338	0.6
55.01858	0.8
56.59736	0.7
57.03450	2.7
59.01379	7.3
61.98830	6.9
65.95200	0.6
70.36633	2.5
71.01379	4.4
73.02934	1.1
75.00880	1.2
85.02957	2.1
87.00871	0.8
89.02430	3.4
95.01353	0.7
97.02951	0.9
97.06594	1.0
99.00875	0.8
101.02441	4.1
110.82580	0.7
110.83295	0.7
113.02448	2.3
125.09715	2.5
139.11278	2.2
139.63939	0.9
141.12857	1.8
152.02451	0.7
161.04544	1.2
167.10750	3.0
171.10248	2.7
185.11824	100.0
186.12184	4.9
201.11356	2.2
209.11823	6.6
210.12120	1.1
211.09854	1.0
211.13408	1.0
227.12842	2.4
229.10808	1.4
235.08206	1.1
253.09337	4.1
277.21713	28.1
278.22015	3.8
279.23203	3.5
293.58484	0.7
445.49521	0.8
447.18762	1.1
465.19861	2.0
725.41138	97.7
726.41455	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.3
59.01376	6.9
61.98833	13.1
69.85378	4.5
71.01386	6.1
73.02914	1.2
83.05032	1.2
85.02940	1.3
87.00875	1.8
89.02448	3.3
97.06582	2.9
101.02450	3.6
113.02480	2.8
123.08128	1.5
125.09698	3.6
139.11307	3.0
141.12865	1.8
161.04549	1.9
167.10718	5.9
171.10219	1.4
185.11824	58.8
186.12132	2.8
209.11856	13.8
210.12086	1.2
211.09654	1.6
227.12839	6.6
228.13214	2.5
229.10838	1.2
235.08139	3.0
253.09215	6.4
277.21716	73.1
278.22098	9.7
279.23306	10.7
304.73929	1.1
463.11218	1.0
465.19534	1.4
725.41144	100.0
726.41449	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	727.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41740	0.6
57.03441	1.3
58.00583	1.2
59.01379	12.5
61.98824	3.4
71.01382	29.5
72.99310	0.6
73.02940	5.9
83.01387	8.0
84.93760	0.5
85.02955	2.3
87.00864	1.1
87.04523	1.3
93.03483	0.8
95.76168	0.6
96.96019	0.7
97.02962	0.5
101.02451	3.1
103.00369	16.7
106.67578	0.6
113.02417	0.8
115.00359	1.5
117.03461	2.7
119.05029	100.0
120.05354	4.5
121.02936	0.9
123.04529	0.9
131.03502	4.6
132.05748	1.1
133.06596	4.4
139.11279	7.8
145.02956	11.9
151.11273	1.3
152.09166	0.6
161.06088	5.4
163.04010	52.0
164.04355	2.3
165.09207	1.2
169.12286	3.0
175.02467	23.2
179.10767	2.1
181.12328	2.5
183.10255	8.1
187.03989	0.9
197.11783	1.6
199.13348	1.0
205.05075	3.3
225.11319	10.5
235.06094	1.4
240.98364	0.6
243.12341	6.0
244.12782	0.7
249.11270	1.1
263.12866	0.6
267.12708	0.9
291.12387	1.0
327.14404	1.7
353.38522	0.6
387.16577	6.1
388.17114	1.1
547.38098	0.6
551.21295	62.9
552.21710	7.8
593.22321	5.1
594.22742	0.9
623.23389	4.5
624.24280	0.7
683.25537	3.6
684.26660	1.4
727.24518	19.8
727.37366	1.0
728.24872	4.0
751.71539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.7
58.00571	2.3
59.01378	26.4
71.01375	7.9
73.02951	11.7
75.00872	2.0
83.01379	12.2
85.02966	2.8
87.00858	3.2
87.04533	1.8
93.03438	3.2
98.20654	3.7
101.02416	6.5
103.00371	52.5
111.00861	1.9
113.02418	1.3
115.00337	3.6
117.03452	15.5
119.05026	74.6
120.05325	3.7
121.02950	4.3
131.05000	2.3
132.05826	3.1
133.06616	9.3
139.11296	12.9
139.74786	1.1
145.02953	100.0
146.03297	4.9
151.11211	2.1
157.01463	1.5
159.04509	6.8
161.04817	2.1
161.06075	34.0
162.06436	1.6
163.03999	55.5
163.11227	2.0
164.04292	2.6
167.10796	1.6
169.12343	6.2
175.02519	1.9
179.10797	3.5
181.12289	4.3
183.10239	18.0
187.03987	24.9
191.07126	12.6
197.11792	3.6
199.13448	1.7
205.04991	10.1
217.05061	6.8
219.13895	1.7
223.13319	1.9
225.11340	19.9
226.11604	1.7
235.06087	23.7
236.06375	2.4
241.14328	5.6
243.12340	15.7
243.43839	1.2
249.11208	1.4
267.12274	2.4
267.99158	1.3
274.47116	1.5
283.15436	3.8
285.13434	3.3
291.12204	1.6
295.08325	5.7
327.14398	7.5
387.16611	23.1
388.16852	2.6
433.82407	1.2
442.18518	1.2
461.53491	1.2
551.21295	65.4
552.21881	10.1
593.22388	6.4
594.22168	1.5
605.22345	23.1
606.22589	4.5
623.23407	77.1
624.23700	14.3
683.25946	6.1
684.26099	1.5
727.24414	41.2
728.24701	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	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.7
59.01381	32.0
61.98830	4.5
71.01377	4.2
71.22469	1.4
73.02946	1.3
77.39626	0.6
85.02954	1.4
87.00880	0.9
89.02473	1.5
95.05004	0.7
97.06563	1.4
101.02433	3.1
113.02422	1.9
116.92827	0.7
125.09690	0.8
145.05028	0.6
151.11272	4.4
153.25674	0.7
161.04541	2.3
169.12346	25.7
170.12685	1.6
171.10275	42.0
172.10593	2.1
213.11259	1.2
235.08202	1.8
238.20926	0.7
253.09277	3.0
269.24799	1.0
277.21722	56.1
278.22049	5.6
397.13483	1.5
709.41180	3.2
710.41901	0.8
727.42700	100.0
728.29932	1.2
728.43018	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	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.7
59.01380	32.0
60.01711	0.6
61.98836	5.4
71.01380	3.8
71.41886	0.7
73.02950	0.7
82.11642	0.6
85.02959	0.8
89.02454	2.0
97.06587	0.6
101.02447	2.3
107.05839	0.8
113.02484	1.4
116.92870	1.0
125.09750	0.6
127.11300	2.3
151.11270	3.3
161.04608	0.7
169.12349	32.4
170.12724	1.5
171.10278	84.6
172.10635	4.3
177.91951	0.6
213.11255	2.9
231.12411	3.5
235.08345	0.7
253.09305	4.3
277.21725	32.1
278.22067	2.2
407.19125	2.1
449.20221	1.2
467.21213	3.1
709.41644	3.1
710.42126	1.1
727.42688	100.0
728.43054	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.0
68.38581	0.2
69.35255	1.1
71.01376	1.2
73.02951	0.2
74.11806	0.2
85.02949	0.3
87.00885	0.2
89.02450	1.1
99.74828	0.2
101.02435	1.3
113.02450	0.7
119.03501	0.2
125.02393	0.2
125.09724	0.6
127.11307	1.5
153.09166	0.4
161.04594	0.6
171.10268	100.0
172.10597	4.6
179.05542	0.3
196.41092	0.2
198.71280	0.2
209.11823	0.2
235.08220	1.7
236.08492	0.2
237.41959	0.2
253.09277	5.7
254.09778	0.3
277.21713	49.2
278.22049	5.1
370.13541	0.2
407.19180	3.7
408.19797	0.3
441.33368	0.2
513.30658	0.4
525.17438	0.2
697.26355	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45778	0.3
58.00619	0.2
59.01381	19.0
69.35297	1.8
70.63645	0.2
71.01380	2.1
73.02960	0.4
83.01377	0.3
85.02965	0.5
87.00909	0.4
89.02444	1.3
89.67942	0.3
90.89543	0.2
91.06811	0.2
101.02453	1.8
105.21494	0.2
113.02464	0.8
119.03513	0.5
121.32425	0.2
125.09750	0.5
127.11303	1.1
153.09221	0.3
161.04558	0.9
171.10277	93.2
171.52966	0.2
172.10617	4.8
174.84932	0.2
182.98041	0.3
227.39001	0.2
229.92052	0.2
233.22943	0.4
235.08214	3.6
253.09280	7.2
255.23204	0.3
259.20630	0.4
275.20047	0.4
277.21713	100.0
278.22076	10.5
407.19385	2.0
408.19519	0.2
419.53278	0.2
513.30469	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	729.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.1
59.01377	6.5
59.65939	0.4
61.56173	0.4
71.01382	3.0
71.50867	0.6
71.51312	0.4
72.99304	1.0
73.02939	6.1
75.00866	3.2
83.01386	6.6
85.02951	1.9
87.00891	1.1
87.04520	1.4
88.67448	0.5
93.03455	1.3
97.02947	0.7
101.02420	3.8
109.06606	0.6
111.08127	0.6
117.03452	1.3
119.05025	100.0
120.05363	5.0
127.07697	0.7
129.01921	1.4
131.65585	0.5
137.04001	0.5
137.09712	1.4
139.11278	6.7
145.02953	5.3
157.49490	0.5
163.04001	51.1
163.11256	0.7
164.04402	2.4
165.09235	1.0
169.12384	2.8
177.04060	3.5
179.10779	1.7
181.12358	3.0
183.10243	9.1
186.66197	0.5
195.05109	2.4
195.13985	0.6
197.11826	2.0
199.13408	0.6
225.11296	8.8
231.10165	0.6
239.12871	3.7
241.56563	0.5
243.12335	7.5
244.12628	0.7
249.11398	0.8
267.12299	0.7
281.13940	2.3
282.61847	0.5
285.13434	0.7
302.05334	0.5
327.14505	2.1
387.16617	4.7
388.16895	0.8
395.27640	0.5
462.25909	0.5
551.21307	61.1
552.21680	12.5
711.24884	2.5
729.26056	24.4
730.26471	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	729.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.1
59.01377	6.5
59.65939	0.4
61.56173	0.4
71.01382	3.0
71.50867	0.6
71.51312	0.4
72.99304	1.0
73.02939	6.1
75.00866	3.2
83.01386	6.6
85.02951	1.9
87.00891	1.1
87.04520	1.4
88.67448	0.5
93.03455	1.3
97.02947	0.7
101.02420	3.8
109.06606	0.6
111.08127	0.6
117.03452	1.3
119.05025	100.0
120.05363	5.0
127.07697	0.7
129.01921	1.4
131.65585	0.5
137.04001	0.5
137.09712	1.4
139.11278	6.7
145.02953	5.3
157.49490	0.5
163.04001	51.1
163.11256	0.7
164.04402	2.4
165.09235	1.0
169.12384	2.8
177.04060	3.5
179.10779	1.7
181.12358	3.0
183.10243	9.1
186.66197	0.5
195.05109	2.4
195.13985	0.6
197.11826	2.0
199.13408	0.6
225.11296	8.8
231.10165	0.6
239.12871	3.7
241.56563	0.5
243.12335	7.5
244.12628	0.7
249.11398	0.8
267.12299	0.7
281.13940	2.3
282.61847	0.5
285.13434	0.7
302.05334	0.5
327.14505	2.1
387.16617	4.7
388.16895	0.8
395.27640	0.5
462.25909	0.5
551.21307	61.1
552.21680	12.5
711.24884	2.5
729.26056	24.4
730.26471	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	729.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
58.00585	1.0
59.01379	9.8
61.98818	0.9
71.01384	5.6
71.52115	1.1
72.99319	0.6
73.02941	6.3
74.42113	0.5
74.78033	0.4
75.00880	4.6
83.01386	6.6
83.71792	0.4
85.02952	2.9
86.64608	0.6
87.00889	1.5
87.04514	1.7
89.02425	0.6
93.03459	1.0
95.01375	0.6
99.00887	1.4
101.02439	3.8
103.00372	0.6
109.06577	0.6
116.92865	2.3
117.03484	1.3
117.92879	1.0
119.05027	100.0
120.05363	5.0
125.06055	0.6
129.01939	2.2
137.06055	0.6
137.09735	0.9
139.11285	6.3
145.02950	5.5
151.11246	0.8
161.06046	0.7
161.09727	0.7
163.04008	73.2
164.04364	3.8
165.09251	1.1
167.10774	0.5
169.12340	2.2
177.04041	3.9
179.10791	1.4
181.12338	2.7
183.10271	8.3
184.10510	0.5
195.05101	8.0
195.13927	0.7
197.11801	1.2
197.15465	2.0
207.10245	0.5
208.25026	0.5
225.11284	10.2
225.14980	1.5
226.11722	0.7
243.12352	8.4
243.15987	10.7
244.16338	1.2
249.11369	1.1
251.66389	0.5
267.12299	0.9
285.03891	0.9
285.13672	1.1
285.17062	6.0
286.17508	0.7
291.12286	0.6
323.07828	0.6
327.14499	2.4
341.08752	1.2
387.16586	9.8
388.16873	1.2
551.21313	42.0
552.21698	7.4
567.11584	0.9
711.25000	1.2
729.26062	29.4
730.26233	6.3
730.35785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.9
55.76916	0.6
57.03445	3.4
58.00606	0.8
59.01375	14.4
68.99791	1.3
69.03444	2.8
70.41595	2.0
70.41969	0.6
71.01382	25.8
72.99306	2.9
73.02950	5.3
75.00872	15.3
83.01390	6.2
85.02943	6.0
85.65005	0.6
87.00870	5.2
87.04522	1.8
89.02435	2.1
93.03464	1.1
94.02982	2.1
97.02943	2.6
97.68659	0.6
99.00893	10.2
101.02430	3.1
103.00375	0.7
111.00884	1.4
113.02517	0.7
117.03455	3.3
119.05028	79.7
120.05355	3.6
121.02944	1.4
129.01945	13.5
131.03499	1.6
132.05801	1.7
133.06609	6.7
137.09666	1.3
139.11287	6.7
141.01971	1.3
145.02950	17.9
146.03273	0.7
149.12961	0.7
154.02496	0.7
155.10777	1.5
159.03029	1.5
161.06067	10.5
163.04008	44.6
164.04364	2.5
165.09183	1.2
169.12340	2.5
177.04050	11.6
179.10873	1.4
181.12337	2.8
183.10275	8.0
187.57944	0.6
189.97250	0.6
195.05099	14.4
195.06784	0.5
196.05403	0.7
197.11794	1.8
199.09799	0.8
199.13518	0.7
205.05070	4.6
206.39764	0.6
207.35175	0.6
225.11298	8.8
227.23723	0.7
243.12357	7.6
249.11209	1.1
265.06979	1.0
285.13513	1.4
291.12375	0.7
323.07635	1.2
327.14490	1.4
341.08862	3.7
353.53055	0.7
364.91666	0.7
368.14459	0.7
387.16553	1.6
438.17599	1.0
456.18951	0.8
551.21259	11.2
552.21454	1.9
553.21704	0.7
711.25031	11.7
712.25159	2.2
729.26086	100.0
730.26447	22.0
739.81927	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90278	0.3
57.03448	0.6
59.01377	2.4
66.57234	0.2
69.68401	0.4
69.68820	0.9
72.99303	0.7
74.71515	0.3
83.05021	1.1
91.05534	0.9
93.07086	0.2
96.03715	0.3
97.06602	0.3
116.92855	0.4
119.05025	2.2
133.10225	3.3
139.11275	0.5
141.07103	2.0
144.05809	0.4
145.06592	2.9
155.08696	0.4
157.06598	1.6
157.10225	1.5
158.07378	0.3
159.08150	12.8
160.08942	11.7
161.09251	0.7
163.11302	0.6
173.09698	5.9
175.11270	53.5
176.11620	3.8
181.12271	0.3
183.10249	0.7
213.26927	0.2
219.10248	100.0
220.10580	6.9
237.11223	0.3
243.12375	2.9
280.15344	0.3
318.64719	0.2
405.17444	1.4
442.61844	0.2
503.85675	0.2
613.28638	0.3
689.47284	0.2
707.05554	0.2
723.78259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25634	0.4
55.01866	0.7
57.03431	1.1
58.62034	0.5
59.01380	12.0
61.98831	4.3
62.81778	0.4
62.95303	0.4
66.46976	0.4
69.03456	0.6
70.28173	1.2
71.01385	8.0
72.99306	0.6
73.02940	2.5
81.15182	0.4
83.01385	2.6
85.02952	5.8
86.00110	0.7
87.00883	0.8
89.02431	1.5
94.03019	0.4
95.01387	1.1
96.96002	1.2
97.02965	0.5
97.06590	0.3
98.20569	0.4
98.95674	0.5
99.00877	1.7
99.04519	1.6
99.92562	1.0
101.02449	6.1
110.35119	0.3
111.00841	0.5
112.01703	0.4
113.02447	5.1
115.92056	0.9
116.92867	4.0
125.02428	0.9
128.03616	0.4
136.05278	0.4
136.07668	1.8
138.05618	0.4
143.03522	1.1
151.07642	0.4
159.02969	0.4
159.93091	0.4
161.04538	0.9
171.10382	0.5
217.15971	2.9
273.22330	0.5
277.69623	0.4
293.09500	0.4
301.21802	0.9
307.11002	0.4
319.22775	10.5
320.23108	1.2
356.70895	0.4
389.87860	0.4
403.24774	1.0
445.25845	0.6
463.26978	8.6
464.27103	1.4
481.28024	25.9
482.28284	4.4
523.29108	100.0
524.29401	17.2
531.27563	0.8
534.22375	0.6
659.27661	1.9
660.27368	0.6
661.27423	0.5
691.29816	0.9
693.33569	4.5
694.33545	0.5
729.27692	1.7
730.27374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01379	12.4
61.98822	4.8
64.55862	0.3
71.01383	7.6
72.99298	0.7
73.02940	1.6
78.28056	0.3
83.01380	0.8
85.02939	2.4
87.00854	0.4
89.02448	3.7
95.01366	0.7
96.96001	1.7
99.04504	0.4
99.92578	3.9
101.02444	5.2
102.96364	0.3
104.43852	0.3
111.00854	0.4
111.87951	0.4
112.98563	0.4
113.02431	2.6
114.94878	0.4
115.92052	2.4
116.92856	16.7
117.92850	0.9
119.03510	1.2
171.10280	0.4
173.93242	0.3
178.06361	0.3
182.97513	0.4
226.96521	0.7
248.18658	0.4
301.21701	5.0
302.21985	0.8
319.22806	4.0
320.23276	0.4
463.26959	2.6
464.27679	0.5
481.28033	100.0
482.28369	17.1
509.27896	0.4
523.29095	28.8
524.29395	5.8
532.94635	0.5
693.25342	0.9
729.27722	4.0
730.28296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98515	0.2
69.34488	0.5
69.34893	0.2
71.16321	0.1
75.59516	0.1
80.96527	0.1
158.62396	0.1
171.10382	0.5
172.10678	0.3
173.10768	0.2
230.73357	0.1
234.02025	0.1
243.46283	0.1
277.21777	0.3
278.22043	0.2
305.45721	0.1
459.12854	0.1
611.04236	0.1
731.36896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33819	0.1
61.98829	100.0
62.98534	0.2
71.34916	0.2
80.96526	0.1
171.10272	0.4
172.10605	0.2
173.10791	0.1
217.68987	0.1
277.21802	0.3
278.22122	0.5
279.22372	0.2
307.56512	0.1
458.66132	0.1
505.91003	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	732.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.1
71.01381	3.3
71.51132	0.7
72.99291	0.5
75.00870	0.9
77.99297	0.6
79.67201	0.6
85.02963	1.5
87.00877	1.9
89.02477	1.5
93.03429	0.7
103.00370	100.0
103.92002	1.0
104.00699	1.9
105.46680	0.7
110.20297	0.6
111.45777	0.6
115.00374	2.6
117.03447	3.8
119.05029	16.5
120.05334	0.9
121.02953	1.2
133.06554	1.7
139.52315	0.6
145.02942	20.8
149.06056	1.0
159.04494	2.0
161.06075	9.1
163.03999	12.3
173.06122	1.4
175.01208	0.6
175.02460	3.1
175.03844	0.6
177.05614	1.3
187.03996	11.8
188.04321	0.7
191.07147	3.8
193.03522	17.6
205.05022	2.3
231.03087	0.8
235.06100	28.9
236.06432	1.2
259.92526	0.9
263.40057	0.6
277.07101	1.7
321.06213	2.1
339.07175	66.9
340.07541	7.4
393.88458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
66.81232	0.3
69.50889	2.0
80.96513	0.4
87.85234	0.3
105.21706	0.3
171.10237	0.7
177.54221	0.2
267.14828	0.3
315.88943	0.3
330.25482	0.3
351.84628	0.3
632.62299	0.3
699.83575	0.3
760.10071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.5
57.03441	2.9
57.58526	1.1
58.00586	3.5
58.89070	1.2
59.01379	100.0
71.01385	57.9
71.51761	1.7
71.52125	1.2
72.01753	1.1
72.99308	3.9
73.02953	7.6
83.01382	7.8
84.70927	1.3
85.02957	16.9
87.00893	2.5
89.02447	40.5
90.02743	1.2
94.02987	9.0
95.01415	6.2
99.00880	2.4
101.02445	32.0
111.55048	1.1
113.02454	30.6
119.03493	14.5
131.03461	1.8
139.11253	3.1
143.03464	3.8
149.04602	1.6
152.03525	1.2
161.04547	5.0
179.05603	6.9
183.10275	5.5
191.84790	1.3
225.11325	2.3
243.12344	2.8
243.16190	1.3
283.02478	1.8
285.04181	2.1
336.10297	1.4
387.16272	1.9
438.13342	2.8
482.20209	5.7
484.10040	1.3
489.10065	1.4
500.21326	25.3
501.22055	1.5
575.56158	1.5
629.35400	70.4
630.35938	14.0
647.36450	63.7
648.36743	11.8
689.37354	34.5
690.37872	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	733.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
55.28368	0.8
57.03458	3.7
58.00599	2.5
59.01378	100.0
59.41737	0.9
60.01714	1.2
61.92099	0.7
61.98828	17.9
69.03455	1.2
70.36967	2.5
71.01380	56.4
72.01727	1.3
72.99312	4.2
73.02944	7.5
76.39671	0.7
81.03457	1.0
83.01404	5.4
85.02950	17.9
86.08418	0.7
87.00900	2.8
88.98820	4.6
89.02444	42.4
95.01390	6.2
96.96033	1.5
97.02956	2.3
99.00887	2.7
99.04578	0.9
99.92587	1.2
101.02442	35.1
102.02774	0.8
103.00375	1.8
111.00902	1.6
112.01650	1.1
113.02448	31.0
116.92871	11.7
117.92903	0.9
119.03510	14.0
122.17088	0.7
124.01678	1.2
125.02473	3.5
130.68767	0.7
131.03529	1.5
143.03493	4.6
145.93089	0.8
159.03044	1.1
161.04547	6.3
171.10353	1.0
179.05612	5.4
209.11906	1.5
225.11455	1.5
227.12839	1.1
285.03973	1.3
413.21930	0.9
455.22757	1.2
467.30127	2.5
485.31354	2.3
593.33868	1.2
629.35382	87.0
630.35632	18.1
630.45197	0.9
645.35370	1.0
647.36377	57.9
648.36621	11.1
648.45331	0.9
689.37518	49.4
690.37787	11.9
733.29181	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
57.03441	3.2
58.00581	3.1
59.01379	100.0
60.01694	1.3
60.14339	0.8
61.98829	13.5
69.03434	0.9
71.01380	64.1
71.23164	1.5
71.23495	1.2
72.01725	1.3
72.99306	4.5
73.02938	8.1
75.00881	0.8
79.73056	0.9
81.92528	0.9
83.01393	5.9
85.02944	17.1
87.00877	5.4
88.98804	3.5
89.02444	45.8
95.01389	7.2
96.96028	2.3
97.02950	1.0
99.00883	2.6
99.92581	3.1
101.02440	33.3
101.03115	1.7
111.00860	1.7
113.02451	33.7
114.02773	1.3
116.92860	19.9
117.01969	1.0
117.92846	1.6
119.03503	16.0
119.04910	1.1
124.01669	1.4
125.02437	4.8
131.03485	1.7
143.03476	4.8
149.04604	1.3
161.04562	6.7
170.18730	0.8
179.05609	4.7
199.13480	1.0
209.11729	2.2
227.12932	1.4
283.02396	1.0
285.03818	1.1
467.30188	2.0
485.31415	1.7
581.32672	1.1
629.35364	93.8
630.25464	1.3
630.35614	15.3
647.36438	63.8
648.36871	12.4
689.37494	52.7
690.37805	11.7
700.23553	1.0
733.37079	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
57.03446	1.1
59.01376	2.3
69.65470	0.9
69.65882	0.6
71.01379	2.2
72.99333	0.6
73.02943	0.8
75.00872	10.8
83.01386	0.5
84.02164	0.4
85.02951	6.5
87.00874	3.6
89.02449	0.7
93.03468	0.5
97.02943	0.9
98.20626	0.5
99.00874	2.1
101.02439	1.4
103.00353	2.0
105.95356	0.3
106.37599	0.3
112.49567	0.3
115.00321	0.3
117.03522	0.5
119.05026	49.7
120.05374	2.1
129.01941	7.2
130.02330	0.4
135.04495	0.4
135.60509	0.3
145.02934	1.5
159.02972	0.8
163.04007	100.0
164.04350	5.5
174.61983	0.3
177.04044	7.4
195.05095	43.3
196.05432	1.2
221.06650	0.3
235.06142	0.6
248.77328	0.3
339.07333	0.6
340.07721	0.5
341.08731	28.3
342.09073	2.2
712.76624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
58.00579	1.4
59.01379	43.5
63.68627	1.4
67.01876	3.5
67.91576	1.2
68.45065	1.3
69.28540	8.1
69.28959	2.5
69.48642	1.2
71.01381	17.6
72.01706	2.0
73.02950	8.2
75.00884	1.2
78.95890	2.4
79.99287	1.1
83.01382	8.4
83.30124	1.3
85.02953	4.8
87.00853	1.9
87.04498	1.8
89.02447	12.7
93.18513	1.3
94.02983	38.2
95.01387	1.7
97.69007	1.2
98.19937	2.2
101.02427	11.3
113.02448	8.9
119.03465	3.8
137.32387	1.1
139.11270	10.4
143.03525	1.4
161.04546	1.6
169.12308	3.1
179.89119	1.2
181.12256	4.6
183.10258	17.2
197.11879	1.6
198.59459	1.4
225.11349	13.3
243.12311	7.9
243.15999	3.4
249.11247	1.7
255.03053	6.2
283.02502	7.6
284.03131	2.1
285.03998	6.2
285.13486	1.4
285.17072	1.9
309.13638	1.8
327.14337	2.3
387.16608	4.7
423.58972	1.5
438.13467	2.7
454.65439	1.4
470.20526	6.1
482.20215	22.0
483.20654	2.3
489.10254	2.5
500.21356	100.0
501.21768	16.4
530.10297	1.7
531.11639	2.5
629.35266	2.8
630.35590	15.2
631.36060	2.5
647.36780	1.6
648.36609	14.9
649.36627	1.6
689.37567	1.8
690.37903	9.4
691.38409	1.8
735.17694	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	735.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51528	0.2
56.41899	0.3
57.03450	0.4
57.54020	0.2
63.02407	0.9
65.00357	0.8
76.74508	0.3
82.87512	0.3
83.01382	5.8
93.03479	1.2
101.02473	0.4
103.15304	0.3
103.51244	0.3
107.01378	1.8
117.03470	1.5
125.02460	1.4
132.02188	0.4
135.00900	0.6
143.04948	0.3
151.00374	5.1
155.05049	0.5
159.04535	0.7
161.02451	0.4
167.05075	0.4
169.01491	0.4
169.06641	0.3
171.04483	0.7
173.02385	0.4
174.03210	0.5
175.04005	0.4
178.99901	0.6
182.03690	0.6
183.04498	3.5
185.02432	0.6
185.06093	0.4
187.03978	0.6
199.04013	0.7
211.03995	2.5
213.05508	0.8
213.97980	0.3
215.03560	0.4
227.03490	22.4
228.03862	1.6
229.04959	0.6
239.03510	0.8
240.04262	0.3
241.04968	1.6
241.14423	0.3
255.02979	72.0
256.03479	8.0
257.04492	0.8
268.03632	0.4
269.04416	1.6
281.04523	1.0
283.02469	100.0
284.03183	41.9
285.04013	68.0
286.04398	5.4
297.03992	3.0
298.04572	0.7
299.05643	0.7
326.04248	1.0
327.05127	4.2
446.08505	13.8
447.09201	12.1
448.09607	1.4
489.10352	73.6
490.10666	10.1
526.10297	0.3
530.10754	1.3
531.11469	7.1
532.11743	1.1
573.12421	0.4
621.49200	0.4
633.14105	0.5
651.15613	65.3
652.15991	12.4
735.17633	8.0
736.18127	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	0.2
63.02420	0.6
63.81932	0.2
64.07997	0.2
65.00339	0.7
69.95950	0.8
83.01399	0.7
88.98805	0.2
92.56890	0.2
93.03432	1.0
107.01379	1.1
117.03450	1.4
123.04517	0.2
135.00876	0.5
141.03474	0.3
143.05029	0.5
150.56119	0.2
151.00377	2.4
154.04268	0.4
154.13422	0.2
155.05032	0.8
159.04506	1.0
163.00363	0.6
165.01930	0.3
167.04987	0.5
169.06599	1.0
171.04503	1.0
173.02415	0.3
173.06018	0.3
182.03751	0.6
183.04518	5.1
185.02458	0.7
185.06099	0.7
187.04015	1.1
189.05533	0.5
195.04379	0.3
199.03951	0.6
201.05537	0.3
211.03984	3.8
212.04510	0.3
213.05545	1.0
214.02635	0.4
215.03519	0.6
217.04942	0.3
219.76660	0.2
227.03491	6.9
228.03946	0.3
229.05055	0.7
239.03453	0.8
241.05022	0.7
243.02946	0.5
255.02985	52.4
256.03357	5.5
257.04480	0.9
269.04358	1.0
281.04633	0.6
282.01724	0.3
283.02466	100.0
284.02982	12.4
285.04031	59.2
286.01202	0.3
286.04407	5.4
291.14276	0.2
297.03955	1.0
298.04697	0.5
299.05743	0.5
307.06204	0.2
309.04126	0.8
326.04037	0.2
327.05090	2.7
489.10388	10.1
489.17575	0.5
490.04483	0.3
490.10510	1.4
530.14270	12.9
531.15155	26.1
532.15515	3.6
691.77234	0.3
735.21375	47.5
736.21698	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	735.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94745	1.0
52.06953	1.0
57.03427	1.2
59.01363	2.7
61.04878	0.9
61.98830	77.5
62.66054	1.0
65.00327	5.6
69.54582	2.5
69.54994	4.1
71.01376	1.8
83.01366	3.7
93.03443	4.1
101.54028	1.2
107.01373	3.1
107.05052	1.4
109.02973	2.7
116.92870	1.2
119.05006	1.5
121.02940	1.6
122.18477	1.0
125.02442	14.3
133.02945	3.1
134.03741	10.9
135.04524	100.0
136.04836	2.8
139.04037	2.2
143.05017	1.5
145.02925	2.5
147.04514	2.7
147.08200	1.5
149.06091	7.1
151.00371	16.2
159.04491	3.8
161.02419	16.2
163.00392	5.5
163.03987	1.7
165.01891	2.0
171.04469	3.7
173.06071	3.2
174.03169	1.4
175.03929	1.4
177.01964	1.6
177.05643	1.2
181.05031	4.0
187.03986	1.4
189.01923	3.1
191.07130	3.3
197.06042	3.9
199.03925	2.7
201.05569	1.7
203.03452	1.3
207.03009	7.7
207.10278	1.5
211.13348	4.4
212.13660	2.4
215.07071	2.6
227.03477	2.1
233.04599	1.5
237.05359	1.2
239.07083	2.0
241.05040	2.6
242.05736	1.9
243.06543	2.6
253.04962	2.4
254.05722	2.0
255.02855	2.5
257.04544	4.1
257.08163	2.4
267.02921	2.3
270.28387	1.0
275.09222	2.9
281.04614	1.9
283.06131	10.5
287.05664	2.4
296.06711	3.2
299.05649	1.4
301.07217	6.0
302.04105	1.9
343.07932	1.5
391.08002	1.7
392.09094	2.3
418.10559	12.8
419.11157	2.6
435.10742	6.2
436.11578	5.9
437.12012	3.0
585.17542	28.3
586.17786	5.6
603.28259	1.1
641.20355	6.8
642.20612	2.0
717.23462	3.7
732.20734	1.2
735.24396	58.9
736.24567	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	735.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47599	2.8
57.03449	2.6
59.01362	5.0
61.98830	60.9
65.00323	14.8
66.07249	2.4
68.59956	2.6
71.01363	3.0
71.52376	3.4
83.01382	9.0
90.54404	2.9
93.03465	7.1
96.95989	8.0
106.04215	5.1
107.01363	9.9
107.05002	3.7
108.02169	3.0
109.02954	26.3
116.92866	4.7
119.05048	3.5
121.02942	5.8
125.02431	12.9
134.03757	53.4
135.04549	19.8
143.04997	11.4
147.04486	15.9
147.08034	2.9
149.06071	58.3
151.00365	37.7
161.02382	4.3
161.06027	9.1
165.01897	4.5
169.06688	2.7
171.04507	7.6
171.08119	2.6
173.06062	17.4
179.08699	2.6
189.05411	3.3
191.07097	13.0
197.06006	8.1
207.02991	16.1
211.13300	3.7
213.05508	3.3
215.07095	8.6
239.07063	3.4
241.08664	5.2
242.50204	2.3
253.09030	3.0
257.04565	5.1
257.08188	5.4
265.08670	3.4
267.06781	5.2
271.58755	2.8
275.09171	10.9
281.08044	2.8
282.08939	10.3
283.06149	15.7
283.09711	41.0
284.10162	3.8
301.07132	60.9
302.07422	4.1
321.11212	10.2
415.15518	8.7
433.16577	49.5
434.16705	6.5
459.14572	6.8
585.17664	76.3
586.17780	12.8
641.20477	18.2
642.20288	4.7
717.23096	5.9
735.24463	100.0
736.24707	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60546	0.6
57.03445	0.7
60.04184	0.5
65.00346	1.0
68.49684	0.5
69.43007	3.6
76.51543	0.6
82.79939	0.5
93.03455	0.9
107.01379	1.0
117.03460	1.9
137.56805	0.6
150.83336	0.6
151.00357	2.2
155.04997	0.6
159.04376	0.6
173.02367	0.7
182.03770	0.6
182.11526	0.6
183.04524	3.8
195.74190	0.5
211.04021	3.6
211.07602	0.7
214.07202	0.6
227.03508	12.7
228.03958	0.8
241.05026	0.7
245.09341	1.1
255.02988	58.4
256.03403	6.0
269.04520	0.9
283.02472	100.0
284.03073	20.1
285.04031	27.5
286.04343	1.9
295.94504	0.6
297.04016	1.7
297.07693	1.4
309.07642	0.8
326.04276	0.9
327.05081	1.7
353.06653	4.4
383.07779	1.5
446.08508	16.1
447.09106	4.6
471.09052	0.9
473.10825	3.3
489.10303	1.6
531.11414	37.9
532.11847	4.8
573.12659	7.1
574.13245	1.4
597.12396	0.7
617.14905	0.9
618.15277	0.8
651.15350	0.8
693.16687	62.2
694.17126	13.4
737.19403	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	737.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51127	0.5
65.00309	0.8
69.30509	4.8
84.91087	0.6
93.03455	0.6
94.09809	0.6
103.22357	0.5
107.01381	0.9
109.02864	0.6
117.03443	1.2
151.00351	2.7
159.04579	0.8
163.96123	0.5
171.04491	0.8
183.04462	2.9
211.04039	2.7
227.03477	14.0
228.03770	1.0
231.11874	0.5
241.05138	0.6
255.02982	56.5
256.03445	5.5
269.04669	0.9
283.02472	100.0
284.03104	20.4
285.04016	28.4
286.04538	1.7
297.03979	1.5
297.07523	1.2
320.41861	0.6
326.04318	0.9
327.05008	1.8
353.06631	2.8
383.07721	1.4
446.02368	0.7
446.08557	14.7
447.08984	3.5
473.10855	2.1
489.10431	1.9
531.11444	31.2
532.11572	5.0
573.12695	4.7
617.14709	1.1
651.15796	1.1
693.16711	54.6
694.17102	10.5
737.19104	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87444	0.7
65.00360	0.9
74.02480	1.6
75.38377	1.0
77.51888	0.9
112.26546	0.9
116.05020	1.0
116.92714	1.0
117.03471	1.3
119.36246	1.0
123.61624	1.0
124.02557	1.0
142.87500	0.9
151.00375	2.0
171.04543	1.6
183.04491	3.1
185.06108	1.6
197.40050	1.0
211.04045	3.5
227.03529	11.0
228.03873	1.6
229.64600	0.9
239.03404	1.4
245.09300	2.9
251.53079	0.9
255.02979	59.7
256.03381	5.0
281.04532	1.4
283.02472	100.0
284.03143	21.6
285.04022	72.1
286.04446	6.2
297.04053	2.0
308.25067	0.9
316.59662	0.9
327.04895	3.5
337.66568	1.1
447.09573	4.3
448.09586	1.1
488.09427	11.0
489.10361	39.8
489.17496	2.0
490.10883	6.4
531.11346	10.2
532.11890	1.9
693.16718	49.4
694.17108	11.9
735.59265	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34635	0.9
69.35512	7.9
74.02462	5.4
93.03455	1.1
96.96004	1.1
98.02479	1.4
98.20599	2.0
107.01399	1.6
111.00870	1.1
116.05033	1.3
117.03487	1.5
119.05074	1.2
127.93487	1.0
151.00392	2.2
159.04482	1.5
178.10091	1.2
183.04509	3.0
203.08217	5.3
211.03984	2.5
219.10194	2.0
227.03523	10.7
241.14471	1.6
243.12285	1.3
245.09306	12.4
255.02982	57.6
256.03421	5.6
278.17654	1.2
283.02472	100.0
284.03113	20.6
285.04025	61.2
286.04346	6.1
288.15958	3.4
297.03943	1.4
326.03949	1.3
327.05078	2.7
429.08041	1.4
446.08627	2.1
447.09296	7.5
488.09668	12.3
489.10382	36.0
489.17535	2.0
490.10822	4.8
531.11365	8.4
532.11530	1.1
534.91748	1.3
633.14783	2.0
633.35101	1.1
651.15729	1.3
691.02374	1.3
693.16699	58.2
694.17120	10.2
737.19110	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.8
59.01376	7.6
61.98825	30.5
71.01373	4.9
71.51733	2.1
72.99277	2.2
73.02945	2.0
80.05055	9.2
87.70910	1.8
88.98801	2.3
94.02991	25.2
94.06619	4.1
96.96001	2.4
101.02470	3.1
103.00391	3.2
104.05056	3.9
106.06624	9.6
107.03735	4.7
110.02475	4.2
111.00853	2.6
116.92852	3.2
119.05009	3.4
120.04597	2.2
122.06121	31.5
124.04037	26.9
130.06685	1.9
131.95573	1.7
132.04564	2.4
132.78319	1.7
134.06120	11.8
136.04025	4.2
136.75893	1.9
138.05576	5.2
139.02731	3.1
142.91914	1.7
148.04019	3.6
149.06009	1.9
150.05597	4.9
152.07172	62.4
153.07565	2.5
160.04027	2.9
160.07655	4.3
162.05582	1.9
164.03539	2.2
164.07060	8.8
178.05061	3.6
183.10294	2.2
190.67822	1.9
193.05025	2.3
201.11430	2.5
209.11951	2.0
210.07773	4.3
211.08803	3.1
214.11040	2.0
218.08275	7.7
223.08781	2.3
224.09547	2.3
235.08754	3.2
237.10342	3.0
241.09613	1.9
241.13472	4.9
245.12946	7.0
248.45053	1.9
249.06691	3.2
249.10295	2.3
251.08244	5.3
251.11903	2.2
253.09683	2.1
255.02991	2.4
255.11218	2.3
257.09100	2.4
259.10782	8.1
263.08301	3.5
264.09091	3.2
265.09760	10.6
266.10400	3.2
267.11313	5.8
277.09726	3.7
279.11356	4.9
281.09018	3.0
283.02469	3.4
283.10895	2.2
289.08292	5.0
289.48672	1.9
293.09424	2.7
295.10852	6.4
296.11374	1.9
297.12381	3.8
298.09979	1.7
303.09891	5.4
303.13193	1.8
304.10468	3.0
309.08813	3.7
309.12170	2.3
311.10361	2.5
313.11874	2.6
316.10510	3.1
323.10425	14.5
324.11020	4.2
325.11865	8.1
334.11636	7.4
337.11893	3.4
339.13327	2.5
342.12045	2.2
346.38388	1.8
349.14020	7.2
355.13028	2.0
367.09384	2.2
374.15009	2.0
401.14072	2.3
402.33591	2.0
404.16156	4.4
414.14505	5.1
422.16815	2.3
431.14737	2.4
446.16229	2.1
476.18027	2.6
477.18954	2.7
489.19055	4.4
490.19623	2.8
504.21371	17.2
505.21732	3.5
508.20679	2.4
522.22321	4.8
524.21002	2.3
534.18225	2.4
548.20453	13.1
554.21643	2.8
565.19958	2.3
569.23962	6.9
580.22955	27.9
581.23236	4.4
598.50928	2.2
611.25250	8.4
613.23010	15.0
614.23938	3.1
629.26233	27.2
630.26166	4.3
645.25629	28.7
646.25897	5.6
655.24084	10.6
656.23944	2.2
661.28729	5.6
673.25104	58.0
674.25226	14.0
675.26172	2.3
677.28601	14.0
678.28564	2.4
687.26526	20.2
688.27051	4.3
705.27704	100.0
706.28015	26.3
719.29016	9.9
720.29749	5.2
737.30444	27.6
738.30872	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	737.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.8
59.01376	7.6
61.98825	30.5
71.01373	4.9
71.51733	2.1
72.99277	2.2
73.02945	2.0
80.05055	9.2
87.70910	1.8
88.98801	2.3
94.02991	25.2
94.06619	4.1
96.96001	2.4
101.02470	3.1
103.00391	3.2
104.05056	3.9
106.06624	9.6
107.03735	4.7
110.02475	4.2
111.00853	2.6
116.92852	3.2
119.05009	3.4
120.04597	2.2
122.06121	31.5
124.04037	26.9
130.06685	1.9
131.95573	1.7
132.04564	2.4
132.78319	1.7
134.06120	11.8
136.04025	4.2
136.75893	1.9
138.05576	5.2
139.02731	3.1
142.91914	1.7
148.04019	3.6
149.06009	1.9
150.05597	4.9
152.07172	62.4
153.07565	2.5
160.04027	2.9
160.07655	4.3
162.05582	1.9
164.03539	2.2
164.07060	8.8
178.05061	3.6
183.10294	2.2
190.67822	1.9
193.05025	2.3
201.11430	2.5
209.11951	2.0
210.07773	4.3
211.08803	3.1
214.11040	2.0
218.08275	7.7
223.08781	2.3
224.09547	2.3
235.08754	3.2
237.10342	3.0
241.09613	1.9
241.13472	4.9
245.12946	7.0
248.45053	1.9
249.06691	3.2
249.10295	2.3
251.08244	5.3
251.11903	2.2
253.09683	2.1
255.02991	2.4
255.11218	2.3
257.09100	2.4
259.10782	8.1
263.08301	3.5
264.09091	3.2
265.09760	10.6
266.10400	3.2
267.11313	5.8
277.09726	3.7
279.11356	4.9
281.09018	3.0
283.02469	3.4
283.10895	2.2
289.08292	5.0
289.48672	1.9
293.09424	2.7
295.10852	6.4
296.11374	1.9
297.12381	3.8
298.09979	1.7
303.09891	5.4
303.13193	1.8
304.10468	3.0
309.08813	3.7
309.12170	2.3
311.10361	2.5
313.11874	2.6
316.10510	3.1
323.10425	14.5
324.11020	4.2
325.11865	8.1
334.11636	7.4
337.11893	3.4
339.13327	2.5
342.12045	2.2
346.38388	1.8
349.14020	7.2
355.13028	2.0
367.09384	2.2
374.15009	2.0
401.14072	2.3
402.33591	2.0
404.16156	4.4
414.14505	5.1
422.16815	2.3
431.14737	2.4
446.16229	2.1
476.18027	2.6
477.18954	2.7
489.19055	4.4
490.19623	2.8
504.21371	17.2
505.21732	3.5
508.20679	2.4
522.22321	4.8
524.21002	2.3
534.18225	2.4
548.20453	13.1
554.21643	2.8
565.19958	2.3
569.23962	6.9
580.22955	27.9
581.23236	4.4
598.50928	2.2
611.25250	8.4
613.23010	15.0
614.23938	3.1
629.26233	27.2
630.26166	4.3
645.25629	28.7
646.25897	5.6
655.24084	10.6
656.23944	2.2
661.28729	5.6
673.25104	58.0
674.25226	14.0
675.26172	2.3
677.28601	14.0
678.28564	2.4
687.26526	20.2
688.27051	4.3
705.27704	100.0
706.28015	26.3
719.29016	9.9
720.29749	5.2
737.30444	27.6
738.30872	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	737.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03455	0.6
58.00594	1.1
59.01380	33.6
61.45055	0.6
61.98820	2.2
65.57832	0.7
67.86325	0.6
69.03447	1.2
70.81441	1.2
71.01380	26.7
72.99310	2.3
73.02952	3.8
75.00877	1.0
78.32428	0.6
81.86632	0.6
82.37751	0.6
83.01381	2.3
83.05031	0.7
85.02949	4.4
87.00882	4.8
89.02444	23.1
90.02773	0.7
95.01383	1.7
97.02950	4.8
99.00870	0.8
101.02441	19.8
111.04525	1.1
113.01723	0.8
113.02457	10.6
119.03482	7.4
120.55724	0.6
124.01631	0.7
125.02444	9.2
131.03458	0.9
133.05101	0.8
139.04031	0.8
141.01837	1.3
143.03487	4.2
158.92528	0.6
161.04529	5.3
170.00015	0.5
179.05576	5.1
189.00244	0.7
211.13402	1.5
221.06624	2.0
226.33968	0.6
235.08237	11.1
235.10431	0.6
245.80789	0.6
253.09222	1.8
254.70560	0.6
270.26523	0.7
277.09296	0.9
279.23267	79.5
280.23627	8.8
287.07675	3.0
291.19693	1.2
305.08749	4.3
323.09756	1.4
397.13480	100.0
398.13812	8.9
415.14578	34.9
416.14938	1.9
501.86459	0.8
610.79962	0.6
677.37280	3.9
678.38184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03437	4.4
58.00592	1.9
59.01377	100.0
60.02060	1.0
61.98828	30.8
65.91238	1.1
66.54366	1.0
71.01382	53.0
71.52697	1.7
72.99300	4.4
73.02937	7.6
82.02953	2.1
83.01370	4.6
85.02946	16.2
87.00888	4.6
88.98784	2.1
89.02441	36.0
94.02967	9.2
95.01382	7.0
96.95980	1.7
97.02975	1.3
99.00878	2.7
101.02442	26.0
103.00336	1.8
113.02445	31.6
114.02746	1.1
116.92843	8.4
117.92847	1.2
118.92698	1.4
119.03511	13.9
122.06100	1.7
124.04050	1.4
125.02445	1.8
131.03481	1.5
132.50502	1.3
136.07663	1.7
138.05589	2.9
143.03482	3.3
149.04578	1.8
152.07149	1.6
161.04547	9.3
179.05603	5.8
188.10687	1.3
203.85294	1.4
237.06580	2.4
238.07387	1.3
239.08153	1.9
251.08299	3.4
253.06203	2.5
253.09563	1.8
265.06134	4.2
265.09393	1.5
279.07672	9.3
280.08478	4.0
281.09192	7.7
285.03891	1.5
291.07748	1.4
293.05682	7.2
293.09039	1.8
294.06189	1.4
307.07187	4.5
308.07986	21.3
309.08768	16.5
310.09167	2.1
311.10254	2.7
312.07446	1.5
323.10187	3.3
326.16180	1.3
339.09854	3.2
340.10620	4.0
352.06772	1.9
353.07730	7.5
355.13177	2.5
388.12891	1.9
392.12466	4.0
402.14343	1.4
404.12106	1.3
420.15787	2.4
432.11975	2.8
446.00732	1.3
446.13806	1.6
447.14063	5.4
448.15063	11.7
462.20389	3.3
471.33115	6.0
472.18765	2.6
478.16037	3.3
479.16776	4.7
480.17764	15.3
481.18167	2.6
489.34454	1.8
492.13934	4.9
504.21451	5.2
511.19226	2.8
516.17554	3.4
524.16718	10.6
525.17078	2.2
555.18652	2.5
556.19318	8.9
557.19812	2.4
597.23572	7.8
606.96643	1.3
629.26227	9.1
630.26703	2.1
633.38495	66.4
634.38885	15.1
641.22290	1.4
642.26544	4.5
651.39532	56.4
652.39856	11.4
661.28809	7.3
662.29254	2.1
673.25110	16.0
674.26147	4.4
693.40662	29.3
694.41229	6.7
705.27600	15.7
706.27795	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	737.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.8
57.03441	0.7
59.01385	9.4
61.98830	5.9
69.03444	2.6
71.01388	5.6
71.05021	1.9
71.51865	1.3
81.03461	1.1
83.01376	1.2
85.02950	0.8
87.00912	0.9
89.02439	2.1
101.02435	3.5
121.02885	0.9
125.09687	2.2
149.09813	0.9
151.11250	2.2
153.12811	1.0
161.04556	1.0
161.09692	3.6
169.12344	1.1
171.10176	0.8
179.10785	5.1
197.11830	73.1
198.12167	4.5
202.91637	0.8
205.08644	4.9
223.09747	4.3
235.08188	1.3
241.10828	4.7
253.09358	4.0
277.21729	33.8
278.22028	3.0
279.23273	1.0
372.35840	0.9
467.90179	0.8
477.19839	2.0
719.40271	1.7
737.41150	100.0
738.41461	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36267	0.8
52.74255	0.7
57.03435	1.1
59.01377	8.4
61.98825	5.2
69.03455	3.8
71.01385	5.0
71.05022	1.3
73.02950	0.7
74.23819	0.7
78.73216	0.7
85.02961	1.5
89.02451	1.3
97.06567	0.9
101.02436	2.6
113.02373	1.3
123.08152	1.0
125.09679	1.3
151.11261	2.2
153.12839	0.9
161.04498	1.4
161.09697	3.4
169.12347	2.2
179.10779	6.1
187.62117	0.8
197.11816	38.1
198.12186	2.2
213.35367	0.8
223.09746	1.0
229.14813	0.8
241.10719	1.9
243.88716	0.8
253.09271	2.1
277.21698	52.4
278.22055	4.5
279.23370	1.1
301.41904	0.8
318.14563	0.8
459.18814	1.0
477.19562	1.6
737.41119	100.0
738.41455	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53875	0.2
59.01379	13.7
80.05020	0.2
81.03451	4.8
83.05026	12.0
84.05338	0.3
96.19474	0.2
100.07607	0.2
107.06111	0.3
108.04529	0.6
125.07198	0.7
126.05589	0.2
143.08195	0.3
207.14992	1.0
224.17665	1.5
225.16086	11.0
226.16234	0.4
227.39828	0.2
241.14362	0.7
242.18672	0.4
259.26431	0.2
283.15421	0.3
309.21777	0.5
324.26453	0.5
333.22922	0.7
341.29144	0.8
367.27054	1.2
368.27512	0.3
407.33862	0.3
433.31808	0.7
434.32153	0.3
450.34711	1.0
451.32870	7.6
452.33322	0.9
481.66422	0.2
550.43536	1.0
559.39539	0.4
565.44641	0.4
593.43805	0.7
634.79156	0.2
659.48444	1.7
660.48944	0.5
677.49658	100.0
678.49951	21.9
697.94092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92043	0.4
59.01155	0.4
59.01395	2.7
61.98826	7.0
71.01372	0.7
80.05048	0.4
83.05000	0.6
85.02943	0.5
88.98787	0.5
93.65031	0.4
94.02972	2.2
96.96004	1.5
99.72853	0.4
108.04558	1.6
116.05056	0.4
116.92835	0.5
122.06124	8.3
124.04033	1.5
132.04558	0.4
134.06097	1.4
135.06850	0.4
135.57802	0.4
136.04044	4.1
136.07680	9.6
137.04800	0.6
138.05591	1.6
144.10899	0.4
150.05609	7.6
152.07195	2.2
153.07454	0.6
171.10225	0.8
174.09177	1.1
176.03555	0.4
185.09721	0.5
186.04332	0.5
186.09175	2.6
190.05077	0.7
201.06638	1.2
202.07375	1.2
202.08951	0.9
202.12402	1.8
209.11813	1.5
212.10815	1.5
213.06602	0.7
215.08159	2.1
215.12888	0.6
228.10257	3.3
229.09796	12.5
229.44838	0.5
230.09731	0.6
230.12045	7.8
231.11897	0.5
240.08961	0.8
243.07742	0.5
244.08530	0.4
245.09319	4.3
245.12991	0.8
255.11391	3.3
256.09802	0.7
257.09354	6.3
258.09909	1.6
259.10919	0.8
273.12454	22.6
274.12772	1.3
275.10370	1.6
299.10284	0.7
317.11432	10.7
318.11862	0.9
334.11707	1.1
334.29794	0.5
335.12485	100.0
336.12805	9.6
339.13501	0.9
615.24451	1.4
643.24011	0.6
675.26538	4.0
676.26855	0.7
739.33673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65975	0.4
58.02976	7.2
59.01370	0.8
70.02976	5.3
71.52339	0.4
72.00903	2.1
72.04539	1.2
74.02473	37.9
75.02802	0.5
91.50434	0.4
96.96019	0.6
98.01890	0.6
98.02477	7.2
116.03548	10.1
116.05059	13.5
117.05389	0.4
122.28965	0.4
130.06636	1.9
142.06606	3.4
144.03348	0.3
159.09291	2.6
167.19460	0.4
183.09248	0.9
186.05566	0.9
201.10283	3.0
203.08255	39.0
204.08598	2.7
227.03525	0.8
228.03801	0.6
245.09290	100.0
246.09598	8.6
255.02927	2.7
256.03235	2.6
283.02478	3.6
284.02924	3.9
285.03812	3.3
286.04221	2.0
287.04672	0.6
298.04587	0.4
325.96188	0.4
447.09088	0.8
448.09653	1.3
449.09744	0.6
471.26035	0.4
489.10547	0.8
490.10608	1.9
492.11462	0.8
531.11371	0.6
532.11829	0.6
578.94922	0.4
654.16595	1.4
694.16974	1.4
738.19226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92769	0.4
56.20939	0.3
58.02976	6.8
59.08472	0.3
69.47095	0.5
69.47505	1.8
70.02978	6.5
71.01405	0.4
72.00921	2.1
72.04537	1.5
74.02471	41.0
75.02826	0.4
91.17473	0.3
94.81264	0.3
96.96032	0.3
98.02476	8.3
99.02853	0.4
99.53874	0.4
116.03545	10.6
116.05061	14.8
117.05399	0.6
130.06615	1.5
142.06609	3.2
159.09267	3.2
183.09209	0.9
186.05594	1.1
201.10344	3.7
203.08250	42.9
204.08601	2.5
245.09282	100.0
246.09599	8.8
255.03003	0.5
283.02374	0.6
284.02905	0.7
285.03778	0.7
286.04504	0.4
289.08481	0.3
490.10406	0.4
694.16168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
59.99159	0.1
61.98829	100.0
62.98535	0.2
62.99264	0.1
70.82660	0.2
70.82973	0.2
71.01358	0.2
71.84344	0.1
101.02423	0.2
125.58789	0.2
147.74681	0.2
169.16077	0.2
179.74678	0.1
204.48090	0.1
209.91194	0.1
211.47923	0.2
278.22421	0.2
399.13696	0.2
399.54865	0.2
481.39178	0.1
491.35196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56639	0.1
59.01381	0.5
61.98829	100.0
62.98533	0.2
62.99250	0.1
68.74587	0.1
71.01394	0.2
89.02429	0.1
94.79950	0.1
101.02431	0.1
113.02404	0.1
148.75058	0.1
155.07303	0.1
209.11893	0.1
211.13359	0.1
213.43983	0.1
256.70551	0.1
258.13577	0.1
277.21844	0.2
278.22232	0.2
279.22446	0.1
293.21164	0.1
328.46445	0.1
342.90839	0.1
349.93137	0.1
397.13467	0.1
398.14154	0.2
399.14093	0.4
400.14426	0.2
418.15060	0.1
534.18103	0.1
605.12714	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	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03441	1.1
58.00597	0.5
59.01379	8.4
61.98832	1.7
69.03454	0.8
70.51920	0.8
71.01386	7.8
71.05009	3.0
71.16042	0.4
73.02948	1.8
83.01360	0.5
85.02967	1.4
85.80320	0.4
86.06370	0.4
87.00858	1.1
89.02447	4.5
95.01360	0.6
95.05024	0.6
97.02944	3.6
97.06596	1.7
97.53004	0.4
99.00881	14.4
101.02460	4.5
102.08036	0.6
109.06588	1.8
110.03719	0.8
113.02440	2.8
119.03478	0.6
123.08142	0.9
125.09731	5.6
127.11314	1.3
135.08128	1.0
136.05292	0.6
142.02721	0.9
145.05132	0.6
151.11218	0.7
153.12848	0.8
161.04543	2.0
163.11292	7.4
171.10258	14.9
172.10648	0.8
179.05621	0.7
179.10725	0.7
181.12346	14.7
182.12685	0.9
189.09258	0.6
197.11858	1.8
199.13400	24.1
200.13692	1.5
201.11215	0.7
207.10252	33.9
208.10608	2.1
225.11320	66.6
226.11674	3.7
235.08275	2.5
243.12372	14.3
244.12766	1.2
253.09305	5.1
265.85019	0.5
277.21710	58.5
278.22079	5.2
443.19144	1.8
461.20322	8.4
462.20447	1.1
479.21375	2.4
521.60895	0.5
641.21832	0.5
721.41443	4.7
722.42157	0.9
739.42694	100.0
740.43054	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
57.03440	1.3
58.00602	0.4
59.01378	6.8
61.98839	1.1
69.03449	0.4
70.36362	0.9
71.01380	5.5
71.05022	2.4
72.99316	0.4
73.02955	0.9
83.01368	0.4
83.05038	1.1
85.02972	1.4
87.00884	0.6
89.02438	3.0
95.01403	0.4
95.05035	0.7
97.02946	3.4
97.06577	2.2
99.00881	18.4
101.02443	2.8
106.87679	0.3
109.06601	1.6
110.03761	0.8
113.02447	1.6
119.03478	0.7
123.08152	1.5
125.09726	7.2
127.11282	0.5
135.08162	1.2
136.05292	0.6
138.18890	0.4
142.02715	0.8
145.10231	0.8
151.11253	0.4
153.12814	0.8
155.14360	0.5
161.04608	1.0
161.09671	0.6
163.11288	10.2
164.11588	0.6
171.10268	8.0
172.10629	0.5
174.06075	0.3
179.10826	0.9
181.12337	17.2
182.12639	0.9
189.09261	0.3
197.11861	1.4
199.13393	13.6
200.13750	1.2
201.11313	0.9
202.52036	0.3
202.91621	0.3
207.10252	28.7
208.10632	1.8
211.13391	0.5
225.11314	51.5
226.11641	3.2
235.08221	1.0
243.12361	25.2
244.12689	1.7
253.09293	3.1
259.20609	0.4
277.21713	27.6
278.22070	2.6
299.15118	0.3
304.02936	0.3
317.16348	0.5
397.13568	0.6
443.19424	0.5
461.14188	0.5
461.20203	4.0
462.20944	0.5
479.21326	9.1
480.21872	0.7
577.37207	0.5
721.41742	0.9
739.42706	100.0
740.43054	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
57.03432	1.8
59.01378	5.3
60.25856	0.4
61.98823	0.8
68.44904	0.4
69.03436	0.6
70.84955	0.4
71.01375	4.4
71.05022	3.0
73.02959	1.0
81.03444	0.5
83.01348	0.6
83.05018	1.0
85.02953	1.3
87.00883	1.3
89.02435	1.8
95.05006	0.9
96.10675	0.4
97.02964	2.9
97.06580	2.8
99.00878	15.2
101.02419	2.9
109.06578	1.0
110.03713	1.1
113.02454	1.6
115.51921	0.5
119.03541	0.4
123.08163	2.3
125.09724	8.0
135.08174	0.6
136.05240	0.5
137.95622	0.5
142.02733	1.0
161.04532	0.7
161.09732	0.7
163.11272	12.4
164.11522	0.8
171.10255	4.5
173.70584	0.5
181.12335	16.5
182.12617	0.7
197.11908	1.0
199.13371	5.9
207.10257	19.1
208.10591	1.0
225.11307	25.6
226.11673	1.6
229.02150	0.5
233.22603	0.7
235.08199	1.4
243.12352	10.4
244.12556	0.5
253.09154	2.9
277.21695	33.4
278.22046	4.0
397.75357	0.5
461.20123	3.2
479.21463	2.5
722.43298	0.6
739.42688	100.0
740.43091	23.2
740.53748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
57.03446	1.2
59.01386	6.7
61.98828	1.1
66.35054	0.5
71.01393	5.6
71.05016	2.7
73.02949	1.6
83.01362	0.8
83.05037	0.8
85.02944	1.8
87.00880	1.2
89.02455	2.3
95.05013	0.6
97.02949	3.1
97.06592	1.8
98.19896	1.9
98.85952	0.5
99.00877	12.2
101.02434	4.0
109.06573	1.6
110.03736	0.6
113.02446	2.2
119.03510	0.6
123.08164	1.1
125.09709	6.1
135.08194	0.7
142.02765	0.8
145.05110	0.8
161.04581	1.3
163.11259	7.2
171.10245	8.3
181.12343	10.7
197.11740	0.7
199.13391	11.1
200.13858	0.6
201.11375	0.6
207.10258	23.0
207.12209	1.2
208.10547	1.1
225.11317	38.1
226.11638	2.4
235.08180	2.3
243.12373	6.9
253.09280	3.8
277.21713	70.4
278.22067	8.3
279.23300	0.7
443.19373	1.6
461.20236	5.1
479.20950	1.0
513.30524	0.7
525.88580	0.6
577.37427	0.8
721.41626	6.1
722.41675	1.4
739.42706	100.0
740.29840	1.3
740.43109	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.6
55.22375	0.6
57.03466	0.7
59.01382	11.7
59.27279	0.7
61.98822	5.8
69.01591	0.5
71.01376	6.4
71.05032	1.1
73.02943	1.5
75.00876	0.7
75.88571	0.6
83.01343	0.7
83.05028	1.0
85.02934	1.3
85.85516	0.6
87.00883	1.1
89.02434	3.7
95.01375	1.1
95.05032	2.0
97.02950	2.0
97.06583	0.8
98.20653	1.9
99.00884	4.0
100.25183	0.6
101.02473	4.2
109.06571	3.1
110.03732	0.8
113.02458	2.6
119.03500	0.8
125.09730	2.3
127.11298	1.9
153.09196	1.3
161.04523	1.6
161.09764	1.0
163.11279	4.9
171.10271	100.0
172.10597	4.6
179.05634	1.5
179.10814	1.0
181.12357	2.7
185.11778	1.6
189.09174	1.7
197.11850	1.0
199.13373	0.8
201.11320	4.1
207.10249	16.7
209.11774	0.7
211.13405	1.8
215.12875	0.7
225.11316	46.8
226.11641	2.8
228.64351	0.6
235.08203	3.4
243.12381	4.8
253.09273	9.1
277.21710	78.3
278.22052	9.5
279.23001	1.2
280.23666	0.8
293.21198	0.7
298.02759	0.6
407.19144	2.7
434.26047	0.6
443.19284	3.1
455.22501	0.7
461.20215	10.0
462.20685	1.2
479.21313	1.1
506.90579	0.6
651.24335	0.7
721.41815	5.1
739.42529	11.6
740.43042	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	740.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35734	0.5
57.03442	0.5
59.01385	3.1
61.98832	18.2
70.21001	0.6
71.01390	0.9
74.83666	0.5
80.05066	6.2
80.30381	0.5
82.02976	1.2
88.98808	0.5
94.02988	11.6
94.03549	1.0
96.96006	1.3
98.19862	1.3
104.05083	2.3
106.06631	2.4
108.04561	3.6
108.08192	3.4
116.92870	1.9
116.98883	0.5
121.05339	2.3
124.07711	2.3
125.09737	0.6
132.04564	2.1
134.06113	6.3
135.03270	0.6
135.05583	0.5
136.07692	83.1
137.08018	3.4
138.05621	3.1
146.06117	2.3
147.03264	0.8
148.04051	1.1
150.05655	0.6
150.09355	0.7
152.07207	1.8
153.04350	1.0
158.02473	1.9
160.04021	2.7
162.05614	0.9
164.07182	0.9
168.06664	3.2
171.10287	0.9
174.05606	1.1
180.06680	6.6
186.05681	0.7
188.07167	15.5
189.07588	1.0
190.05078	10.7
210.07980	0.5
211.08749	4.1
217.09822	1.2
223.08763	0.7
223.12367	0.8
224.09578	1.2
225.10306	3.7
226.11139	2.4
227.11789	3.1
229.13382	4.2
237.10291	0.9
238.07495	1.2
239.08138	0.6
239.11874	1.6
249.06845	0.8
249.10368	1.0
251.08177	1.2
251.11830	1.9
252.09033	1.8
253.09837	7.8
254.10284	0.7
264.08911	1.5
265.09686	1.8
266.07056	0.6
266.10437	0.9
267.11383	2.6
276.11172	1.6
277.09763	1.8
277.11975	1.9
279.07840	2.3
279.11407	4.2
280.08585	0.9
292.08578	1.4
293.09293	1.9
294.10193	3.2
295.10880	29.7
296.11066	2.8
297.12320	1.4
307.10855	17.0
308.11279	2.4
309.12463	1.9
319.12827	1.3
321.08841	1.3
324.06799	0.6
325.11746	1.4
336.13156	1.2
337.13989	1.0
339.10013	0.8
339.13513	15.3
340.13879	1.5
376.20343	2.7
400.16394	0.6
402.18240	1.8
416.19934	4.0
420.19455	2.0
426.18185	1.0
428.16470	0.6
442.17755	2.5
444.19238	26.0
445.19629	3.8
448.18619	0.6
460.18677	1.7
470.17206	2.3
488.18259	69.0
489.18585	10.7
520.20868	100.0
521.21143	17.4
585.23608	2.1
617.26044	11.1
618.26459	2.2
645.25330	1.6
659.27100	2.3
660.27502	0.8
677.28253	7.4
678.28809	1.1
710.16632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29197	0.1
59.01381	0.5
61.98828	100.0
62.98526	0.2
71.01401	0.1
89.02452	0.1
101.02493	0.1
112.05244	0.1
116.92856	0.1
121.75861	0.1
138.17467	0.1
178.64201	0.1
192.33766	0.1
195.77368	0.1
197.11916	0.1
211.13411	0.7
212.13766	0.2
279.23392	0.2
280.23688	0.2
281.24088	0.1
392.96286	0.1
397.13660	0.2
398.14017	0.1
399.14175	0.2
400.14194	0.1
581.90814	0.1
611.21857	0.1
698.40015	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	740.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.98832	100.0
71.01413	0.3
72.78475	0.2
73.24187	0.2
89.02449	0.3
98.20675	0.9
99.00879	0.3
132.76608	0.2
171.10307	0.6
197.11838	0.3
209.11848	1.0
210.12216	0.3
211.13399	1.6
212.13791	0.5
215.71982	0.3
225.11250	0.4
229.31947	0.3
235.35344	0.3
243.12476	0.4
253.09401	0.4
277.21854	0.6
279.23209	0.4
280.23645	0.3
291.19666	1.2
293.21246	0.4
294.21521	0.4
301.81018	0.2
343.47906	0.2
398.14392	0.4
399.14215	0.4
400.14081	0.3
585.04633	0.3
740.42822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
59.70284	0.1
61.98830	100.0
62.98529	0.2
62.99244	0.1
63.10646	0.1
70.25824	0.1
71.51964	0.2
213.84837	0.1
241.14415	0.1
244.73764	0.1
283.15613	0.1
298.45633	0.1
410.83139	0.1
439.65247	0.1
628.03564	0.1
679.50696	0.3
680.50525	0.6
740.49371	2.5
741.50018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04753	0.9
59.01373	4.0
66.80339	0.8
69.76022	3.5
71.01386	1.0
74.38565	1.0
96.69263	0.8
96.95974	0.9
97.70483	0.8
103.00378	5.0
114.36808	0.9
129.61620	0.9
130.08710	1.7
136.01657	2.5
149.99588	1.7
151.04045	3.8
161.08168	5.6
163.04048	1.2
164.98256	2.0
170.03731	2.1
171.04475	1.1
172.01680	6.4
175.00397	1.5
181.01399	2.1
186.03189	0.9
193.05051	1.1
198.03218	2.5
202.02625	6.1
205.01318	1.0
213.01881	1.2
214.02716	4.7
214.04480	0.9
214.37779	0.8
230.02196	6.7
242.02170	5.5
243.02827	1.6
257.00989	1.7
258.01678	14.8
259.02383	2.2
269.00906	1.4
271.02560	2.1
285.00473	1.8
286.01190	10.9
287.01923	6.2
312.99847	1.5
314.00659	39.3
315.01382	19.4
316.02167	16.2
329.03006	82.7
330.03363	8.8
331.04593	13.1
339.07150	1.2
357.13446	5.1
492.09091	14.6
493.09811	11.4
535.11139	4.3
655.14917	2.0
697.16168	100.0
698.16583	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	741.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68785	0.8
59.01378	17.4
64.20975	0.7
64.92052	0.7
71.01374	6.5
71.51995	1.2
72.99302	2.3
73.02929	0.8
75.00874	5.1
83.01398	0.8
85.02944	5.4
87.00869	2.8
89.02433	3.0
89.88329	0.9
93.03490	1.4
95.01388	2.0
96.63761	0.8
96.96007	1.0
99.00868	2.7
103.00370	100.0
104.00715	1.6
107.05040	2.3
113.02456	6.7
115.00350	2.7
117.03470	3.8
119.05034	15.4
119.05844	1.6
121.02983	2.2
123.04540	0.9
125.44971	0.8
129.01930	1.3
132.05826	0.9
133.02917	1.9
133.06635	1.5
145.02948	21.1
151.03992	5.3
159.04518	1.7
161.06071	11.6
163.04001	9.8
175.02461	3.1
177.05515	1.1
177.76219	0.7
187.03986	11.5
191.07080	4.8
193.03523	13.0
195.04999	0.8
205.05037	1.5
235.06102	31.4
236.06473	2.3
249.06122	8.2
256.49066	0.9
267.07199	10.8
267.67712	0.8
321.06326	0.9
329.02988	1.9
339.07172	69.4
340.07431	6.9
341.08417	0.8
401.10855	59.7
402.11191	5.9
432.22333	0.9
473.91901	0.8
535.10724	0.9
662.31512	0.9
691.88135	1.0
697.16455	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.3
58.22173	0.2
59.01389	0.4
61.98831	0.5
71.01388	0.8
72.99329	0.4
73.33618	0.1
74.00122	0.1
76.03973	0.1
81.03458	0.1
88.14700	0.1
89.02445	0.3
92.00410	0.1
95.08641	0.3
96.89754	0.1
99.04525	0.1
101.02466	0.2
121.06597	2.2
137.09720	44.5
138.10060	2.2
149.09712	1.0
149.25600	0.1
150.10202	0.1
151.11284	0.8
162.02403	0.2
167.14438	0.7
175.11227	0.4
177.09181	0.1
177.12747	0.1
178.10046	0.2
193.12334	0.5
219.10197	0.6
221.11781	0.4
239.12877	100.0
240.13210	7.8
484.74567	0.1
546.38489	0.2
644.40601	0.1
689.66132	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27905	0.2
58.02683	0.3
58.02973	5.8
59.01378	0.6
61.98835	0.3
70.02975	5.3
71.01400	0.3
72.00912	1.8
72.04539	1.1
74.02471	35.3
85.02887	0.3
86.02476	0.5
88.58373	0.3
98.02475	9.4
103.00343	0.3
105.95911	0.3
116.03551	9.2
116.05057	12.2
117.05394	0.6
119.04993	0.3
130.06624	1.2
141.91199	0.3
142.06602	3.2
159.09247	3.3
183.09258	0.8
186.05598	0.9
201.10344	2.6
203.08252	37.1
204.08585	2.1
245.09288	100.0
246.09621	7.6
256.23746	0.3
262.43829	0.3
289.08450	0.6
302.17664	0.5
451.33063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99380	0.9
59.01380	27.0
61.98835	14.1
65.08608	0.9
69.03449	1.0
71.01012	1.7
71.01383	25.8
71.01784	1.6
71.30722	0.9
72.99284	0.9
73.02956	4.4
83.01383	3.3
85.02950	6.0
87.00874	6.4
89.01933	1.7
89.02441	21.3
95.01376	1.6
97.02962	5.2
97.32140	0.9
99.00880	3.8
101.02453	19.4
111.04486	0.9
113.02438	11.5
119.03497	6.2
125.02482	7.3
125.82371	0.9
143.02483	1.0
143.03513	3.9
143.04553	1.0
161.04523	3.5
171.10222	3.8
179.05582	4.2
199.13364	1.5
207.10333	2.2
209.11841	5.0
221.06750	1.9
225.11336	2.5
227.12927	1.5
235.08232	8.8
253.09253	3.8
277.21695	3.3
279.23285	5.4
283.26407	70.1
284.26749	7.7
287.07816	2.3
305.08713	4.7
397.13501	100.0
398.13882	8.8
415.14578	33.0
416.14822	3.2
681.40289	6.4
682.40912	1.4
741.44824	6.1
742.44470	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46653	2.0
59.01381	13.1
61.98834	20.7
67.32835	1.7
71.01363	8.2
74.18113	1.8
74.59711	2.2
85.02940	2.4
87.00938	1.9
87.60561	2.2
89.02408	4.2
97.02931	4.5
97.06613	2.6
99.00887	11.8
101.02438	3.3
112.98486	1.9
125.09692	5.4
163.11264	5.7
171.10289	9.8
172.10637	2.2
181.12305	13.4
197.11865	2.1
199.13374	25.6
207.10251	32.2
208.10548	3.0
223.58231	2.1
225.11311	56.1
230.90547	2.0
243.12355	13.3
253.09210	5.2
277.21729	5.1
279.23276	45.6
280.23608	3.8
295.22751	10.1
397.13501	2.4
461.20450	6.9
723.43195	5.8
741.44336	100.0
742.44586	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.5
61.98806	2.2
66.54066	0.6
66.72056	0.6
71.01385	3.7
71.51730	0.7
73.02950	0.6
75.00858	1.1
85.02951	1.3
89.02455	0.8
89.41963	0.6
93.03429	0.7
99.00924	0.6
100.88013	0.6
101.02426	1.0
103.00396	3.5
113.02417	1.0
119.05038	2.2
121.02921	3.8
122.03728	1.3
125.02395	0.7
129.01927	1.5
135.04538	1.2
136.05252	0.9
137.02469	0.9
143.04633	0.7
145.02995	0.7
147.04501	1.5
149.02417	1.0
150.03227	4.4
151.03903	1.1
158.03677	1.3
159.04474	5.1
160.05295	22.5
161.04506	2.1
161.05995	5.4
161.08179	2.2
163.04013	7.2
164.04768	3.5
173.06068	2.2
175.07640	19.7
176.07977	1.1
176.97943	0.7
177.05547	4.3
177.58510	0.7
178.06342	6.5
179.03477	1.3
179.06622	0.7
192.07901	1.0
193.03560	1.0
193.08682	2.7
195.05072	2.8
208.44580	0.7
213.58331	0.7
286.09241	0.7
306.07431	1.2
329.13928	100.0
330.14236	11.5
339.07144	1.1
341.08682	8.1
356.94458	0.6
359.00235	0.8
359.14996	42.2
360.15384	4.4
404.14456	0.7
491.19287	1.2
521.20258	21.9
522.20599	2.9
628.27551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
57.96744	0.3
59.01376	16.6
60.01697	0.3
68.32152	0.3
69.33141	1.2
69.33577	1.1
83.05022	0.9
97.06600	0.6
97.19232	0.3
98.19936	0.6
99.04515	1.5
101.02419	0.6
106.86658	0.3
113.02426	0.3
113.52718	0.4
116.02321	0.3
116.57975	0.3
119.05026	0.3
121.64008	0.3
122.48919	0.3
125.02415	0.3
139.11273	0.9
163.11232	1.0
179.14415	1.2
181.12299	0.4
195.13887	0.8
197.15465	16.7
198.15825	1.1
225.14938	16.7
226.15312	1.0
240.31122	0.3
243.15987	100.0
244.16331	7.6
285.17056	59.3
286.17395	5.5
413.14365	0.9
553.81079	0.3
659.62073	0.4
720.28656	0.4
730.16376	0.3
744.27240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	16.2
61.98827	6.7
87.00877	1.2
88.00404	3.6
88.98808	100.0
89.02446	12.7
89.99146	1.5
98.20656	1.0
171.10330	0.9
228.04013	0.4
255.23227	1.1
279.23157	0.7
284.83572	0.4
375.00424	0.4
397.13315	0.8
415.14621	0.6
507.26959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98831	100.0
62.98528	0.2
69.41812	0.6
69.42223	0.3
71.01389	0.6
76.25512	0.1
98.20676	0.2
115.00391	0.7
118.16802	0.1
119.05026	0.6
133.01427	1.6
135.04526	0.5
136.01750	0.2
151.04070	0.4
152.04424	0.2
163.04063	0.5
179.03566	0.4
226.06386	1.2
227.07341	0.2
239.07243	0.2
254.13943	0.2
350.07425	0.1
357.13672	0.1
358.14026	0.3
359.10254	0.1
359.14307	0.2
373.12894	0.9
374.13510	0.2
438.22949	0.2
483.66440	0.1
584.29816	0.1
628.27667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98830	100.0
62.98519	0.2
71.01402	0.3
71.20503	0.5
75.00872	0.2
88.98830	0.3
89.02426	0.3
100.85139	0.2
113.35066	0.2
123.77272	0.2
139.42322	0.2
151.23157	0.2
171.10265	0.7
213.07050	0.2
243.12206	0.2
277.21802	0.8
279.23349	0.3
389.09433	0.3
398.13950	0.2
399.14233	0.3
400.14639	0.3
744.46313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51294	0.5
59.01371	1.8
61.98834	7.5
71.01362	2.5
71.31968	0.5
71.51649	0.8
71.95219	0.4
74.02486	0.6
74.52940	0.5
75.00877	1.3
85.02940	1.0
87.00873	0.5
89.04029	0.6
89.68555	0.5
92.67496	0.5
93.03464	1.1
96.34478	0.4
99.00890	0.7
101.02413	0.6
103.00369	4.4
108.02164	0.5
109.02974	3.2
119.05019	2.5
121.02946	6.7
122.03741	5.8
123.04477	0.8
124.01742	0.5
128.03537	2.0
129.01938	1.6
132.39857	0.5
134.03726	2.7
135.04504	1.6
136.05331	1.2
137.02448	1.4
143.04619	2.8
147.04520	3.4
148.05312	0.4
149.06081	0.9
150.03255	0.6
154.02708	1.3
160.00771	0.6
161.04703	0.6
161.06024	1.1
163.04001	3.3
165.05576	13.8
165.06917	1.0
166.05905	0.7
178.02750	0.6
179.07146	4.2
193.05060	4.4
195.05124	3.7
204.19789	0.5
209.08160	0.8
210.08859	0.6
258.78531	0.5
265.07230	0.9
272.09045	0.8
278.72568	0.6
306.07635	6.0
315.12329	0.7
341.08704	5.9
342.09274	0.6
345.13184	0.5
346.14194	7.9
346.18219	0.9
347.14551	0.9
361.16559	100.0
362.16879	14.0
369.08173	0.6
404.14941	1.0
523.21826	19.4
524.22278	2.5
755.87115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61792	0.9
55.51870	0.9
57.03441	7.0
58.00587	1.2
59.01380	27.7
61.98829	17.9
69.03459	1.8
69.75649	2.4
69.76052	3.6
71.01380	9.9
72.99304	1.2
73.02569	1.2
73.02946	14.5
83.01388	18.4
85.02938	2.7
87.04495	2.9
88.50133	0.9
88.98791	1.5
89.02465	2.0
93.03433	1.2
94.02944	1.2
94.99957	1.0
95.05086	1.0
96.95988	4.0
97.02917	1.2
97.06569	1.4
98.20540	1.7
99.00873	1.1
99.04494	1.1
99.92593	1.7
101.02431	10.3
105.66401	1.0
108.02176	2.2
109.02939	2.4
109.06564	2.2
113.02412	2.9
116.92854	13.8
119.04993	2.6
121.02913	3.6
122.03721	3.3
123.04501	1.9
125.02403	1.8
125.06081	1.2
127.03996	1.0
128.03560	1.0
134.03749	1.2
135.04488	1.3
136.01662	91.3
136.07645	1.7
137.02409	2.1
137.06149	0.9
139.07634	1.2
139.11293	16.7
149.06071	2.0
151.04004	99.3
151.11226	2.6
152.04318	3.9
154.89424	0.9
159.04480	2.0
160.05232	1.9
161.02422	1.1
161.04558	1.4
162.03192	1.4
163.04074	2.0
163.11307	1.5
164.60756	0.9
165.09152	4.0
167.10776	1.0
169.12338	6.4
175.03951	1.5
175.07619	2.1
176.04688	1.6
179.10799	5.5
181.12332	6.1
183.10242	25.5
191.07137	1.8
195.13773	1.3
197.11769	3.9
225.11314	26.0
226.11647	1.4
239.12604	1.3
243.12370	23.0
244.12677	2.5
249.11295	2.9
263.12897	1.1
267.12341	3.7
279.06720	1.2
279.12277	1.1
285.03976	4.0
285.13351	3.7
291.12299	3.3
294.09085	1.3
297.11017	1.1
309.13367	1.9
311.13000	1.0
312.10056	2.6
313.10706	1.6
327.12158	7.9
327.14722	4.3
328.12372	1.3
335.12607	1.9
335.22083	1.2
342.10828	5.7
343.11841	8.9
357.13434	54.7
358.13879	6.6
387.16638	13.7
388.17087	1.3
452.20129	1.0
497.27335	1.3
539.28424	1.3
595.23016	1.0
601.32288	2.8
626.56506	1.3
701.39618	1.2
745.30670	100.0
746.30896	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
59.01380	16.2
61.98832	6.5
62.31696	0.6
66.77837	0.6
70.62836	1.4
71.01387	3.9
72.28682	0.5
72.99295	1.3
73.02942	0.6
75.00867	2.3
83.01414	0.5
85.02935	2.7
87.00873	2.9
89.02457	1.8
93.03454	1.6
96.96046	0.6
101.02438	1.1
103.00372	100.0
104.00717	2.0
115.00370	5.2
117.03461	5.3
119.05030	22.9
120.05386	1.1
121.02966	1.9
127.00340	0.7
129.01964	0.9
131.05098	0.6
132.05824	0.8
133.06619	2.2
134.03741	16.6
143.05013	1.3
145.02956	20.4
145.06577	0.7
146.03293	1.0
147.04495	0.8
149.06108	1.9
159.04471	2.7
161.06079	12.0
162.03246	0.6
162.06363	0.8
163.04002	20.0
164.04308	1.3
173.06065	0.8
175.02481	7.5
175.03880	1.0
177.04013	1.8
177.05574	3.5
178.02689	1.3
187.03992	17.5
188.04292	0.7
191.07085	4.6
193.03494	12.3
193.05074	23.9
194.05408	1.1
195.05051	3.2
205.05093	3.6
217.05025	1.0
231.02975	1.8
235.06107	35.3
236.06436	2.0
277.07184	1.2
321.06210	1.9
339.07199	68.5
340.07605	5.7
361.16525	0.7
371.09793	6.2
372.10187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
57.53220	0.2
58.47266	0.2
59.01386	0.6
61.98830	100.0
68.27479	0.2
70.36549	0.6
71.01385	0.6
71.19909	0.2
78.02632	0.2
80.96496	0.3
89.02469	0.4
97.06608	0.9
101.02480	0.4
102.42266	0.2
123.08192	0.5
125.09721	8.4
126.10072	0.2
169.08681	0.2
187.09743	6.9
188.10173	0.3
253.09290	0.2
277.21686	1.6
290.95950	0.2
295.22607	0.2
382.53021	0.2
405.17688	0.3
423.18835	0.9
683.40070	19.8
684.40527	4.8
747.36298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.2
59.01379	0.6
61.98830	100.0
67.93283	0.2
68.17184	0.2
71.01366	0.3
71.35601	0.3
85.77190	0.2
87.00874	0.3
89.02423	0.3
97.06586	1.2
101.02489	0.4
123.08168	0.5
125.09718	6.1
126.10017	0.3
128.02144	0.2
136.29802	0.2
187.09785	2.7
241.16737	0.2
253.09361	0.3
277.21729	3.1
278.22174	0.3
405.18207	0.3
423.18597	0.4
683.40070	16.7
684.40448	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.4
58.00584	1.9
59.01379	43.6
61.98830	12.6
69.21533	6.8
69.21952	3.7
71.01382	12.6
73.02553	1.6
73.02945	16.0
78.34645	1.2
83.01386	19.4
85.02943	4.1
87.04507	2.9
88.98783	1.7
89.02442	2.5
92.78736	1.2
95.05025	1.3
96.96008	4.0
97.06574	1.6
99.04519	1.5
101.02438	8.4
103.00380	2.4
109.02933	1.3
109.06580	2.6
111.08047	1.3
113.02419	3.7
116.92855	3.4
117.97614	1.2
119.05059	7.2
121.02930	5.3
125.06061	2.7
127.05188	1.1
135.04526	2.9
137.09698	2.4
139.07663	1.7
139.11287	22.2
143.03394	1.3
145.02917	2.2
147.04453	1.5
149.29231	1.1
151.11264	1.5
155.10780	1.9
163.03995	4.1
163.11299	1.4
163.96339	1.1
165.09233	1.9
167.10785	1.2
169.12350	6.7
171.10292	2.2
179.10739	4.1
181.12354	9.4
183.08687	1.7
183.10274	30.1
197.11765	5.1
199.13342	1.6
207.10223	1.3
225.11322	27.6
226.11732	1.3
239.12784	1.7
241.08630	1.4
243.10130	2.2
243.12379	28.0
244.12874	1.4
249.11220	4.0
255.10220	2.6
267.12384	4.0
269.08170	26.4
270.08374	2.2
271.09756	1.8
281.08160	4.5
283.09775	11.5
284.10251	1.4
285.13382	4.2
289.25381	1.2
291.12332	4.7
295.09747	1.6
296.10522	1.6
298.12021	2.2
299.09241	19.1
300.09741	2.4
311.09262	28.2
312.09766	4.1
313.10483	1.2
314.11591	36.5
315.12027	8.4
325.10837	5.4
326.11563	26.2
327.11371	2.4
327.15143	7.4
329.13919	81.3
330.14178	6.6
341.13907	39.3
342.14218	4.5
387.16602	22.4
388.16977	2.0
440.19681	1.6
499.29056	10.8
500.29413	2.2
541.29846	3.3
553.83740	1.3
571.27728	2.3
747.32294	100.0
748.32593	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.8
59.01374	25.7
61.98827	5.7
62.08230	1.5
68.24455	1.3
70.06406	5.2
71.01379	16.8
72.99294	1.5
85.02989	2.1
89.02440	18.1
95.01416	1.6
101.02436	12.6
113.02448	7.3
118.28857	1.5
119.03500	12.1
129.12334	1.2
131.03542	2.0
133.17172	1.4
142.65303	1.6
149.04582	1.6
149.15593	1.6
177.35583	1.3
179.05608	8.3
225.22186	4.8
249.10760	1.3
253.21548	1.4
271.22751	2.0
278.24997	2.6
349.53384	1.5
532.47339	12.8
533.47479	4.1
550.48474	7.1
561.31549	1.3
646.84344	1.6
712.53619	100.0
713.53992	23.7
748.51282	32.8
749.51404	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	749.36
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06013	0.3
55.01885	1.1
57.03450	1.6
58.00595	0.4
59.01378	38.8
60.01702	0.4
60.17394	0.2
61.98825	3.5
69.03456	0.4
71.01382	18.9
71.52679	0.5
72.01723	0.3
72.99305	0.9
73.02940	5.6
75.00871	0.5
77.80453	0.2
83.01381	3.6
84.11222	0.2
85.02947	9.8
86.00114	0.5
86.03285	0.3
87.00873	1.0
89.02444	5.7
94.17928	0.3
95.00858	0.4
95.01383	1.7
96.95991	0.6
97.02965	0.8
99.00887	2.2
99.92589	0.4
101.02442	12.6
110.68175	0.3
111.00874	0.6
113.02449	8.5
116.92869	2.6
119.03496	2.0
119.05025	0.9
122.72367	0.2
125.02438	0.5
125.06085	0.4
131.03494	0.3
136.89166	0.6
139.46535	0.3
143.03525	0.9
159.02980	0.6
161.04529	2.2
171.10245	0.5
175.02438	0.4
179.05670	1.0
195.17598	0.8
209.11746	0.4
295.26303	1.9
331.24817	0.3
331.49872	0.3
377.75858	0.3
407.05820	0.3
457.31689	0.5
501.30713	3.0
502.31281	0.5
525.30499	1.4
543.31714	100.0
544.32056	16.4
567.31354	1.3
681.25903	0.3
683.34930	0.3
692.15540	0.3
748.83600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.36
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06013	0.3
55.01885	1.1
57.03450	1.6
58.00595	0.4
59.01378	38.8
60.01702	0.4
60.17394	0.2
61.98825	3.5
69.03456	0.4
71.01382	18.9
71.52679	0.5
72.01723	0.3
72.99305	0.9
73.02940	5.6
75.00871	0.5
77.80453	0.2
83.01381	3.6
84.11222	0.2
85.02947	9.8
86.00114	0.5
86.03285	0.3
87.00873	1.0
89.02444	5.7
94.17928	0.3
95.00858	0.4
95.01383	1.7
96.95991	0.6
97.02965	0.8
99.00887	2.2
99.92589	0.4
101.02442	12.6
110.68175	0.3
111.00874	0.6
113.02449	8.5
116.92869	2.6
119.03496	2.0
119.05025	0.9
122.72367	0.2
125.02438	0.5
125.06085	0.4
131.03494	0.3
136.89166	0.6
139.46535	0.3
143.03525	0.9
159.02980	0.6
161.04529	2.2
171.10245	0.5
175.02438	0.4
179.05670	1.0
195.17598	0.8
209.11746	0.4
295.26303	1.9
331.24817	0.3
331.49872	0.3
377.75858	0.3
407.05820	0.3
457.31689	0.5
501.30713	3.0
502.31281	0.5
525.30499	1.4
543.31714	100.0
544.32056	16.4
567.31354	1.3
681.25903	0.3
683.34930	0.3
692.15540	0.3
748.83600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71437	1.2
59.01382	9.6
61.98833	62.0
65.00330	6.8
69.03453	1.4
69.15489	2.4
69.15899	9.3
71.01376	7.8
73.02926	1.5
81.03451	1.3
83.01373	3.4
84.79176	1.1
85.02948	2.1
87.00834	1.5
89.02430	5.8
93.03455	5.4
97.02923	3.8
101.02446	5.5
107.01374	4.0
109.02934	2.5
113.02404	3.2
116.92846	1.8
117.03495	1.5
119.03463	1.2
119.05024	1.7
121.02933	4.8
121.10240	2.4
125.02452	8.6
133.02943	4.2
134.03731	12.5
135.04529	100.0
136.04901	2.7
137.02429	2.0
139.03970	3.0
143.05028	2.8
145.02997	2.5
147.04533	4.6
149.06081	7.5
151.00363	25.2
159.04491	4.0
161.02435	15.9
161.04503	1.6
163.00421	6.2
163.04012	4.7
164.01175	2.5
165.01929	3.3
171.04576	2.6
171.10237	6.1
173.06039	4.2
175.03911	1.7
177.01979	2.0
179.03459	1.3
181.05048	3.1
184.26483	1.2
189.01952	3.3
189.05521	2.2
191.07112	2.8
196.00296	1.5
197.06044	3.4
199.03975	3.3
200.64194	1.1
201.05484	2.2
203.03545	1.6
207.03006	14.5
208.03407	1.4
209.11810	3.0
211.07466	1.2
211.13422	7.0
214.06256	1.4
215.03510	2.2
215.07173	2.5
225.05533	1.5
227.03458	2.0
228.04140	1.3
233.04346	1.2
235.08157	3.5
239.07111	2.8
241.04965	1.6
242.05869	2.8
243.06549	2.2
253.05000	3.0
253.09285	1.8
254.05891	2.6
255.02989	3.3
257.04498	3.6
257.08075	1.6
261.70560	1.2
267.03030	3.4
275.20215	2.2
281.04523	4.0
283.06119	11.3
284.06308	1.3
285.03903	2.2
286.04358	1.3
287.05597	4.4
293.21268	14.9
296.06934	4.3
299.05618	1.7
301.07080	6.0
302.04138	1.9
342.07443	1.4
343.08066	4.3
391.07913	2.5
392.08841	2.8
392.69208	1.1
397.13541	20.2
398.13782	2.3
403.08075	1.9
415.14651	7.5
418.10529	12.2
419.10922	2.4
435.10736	3.9
436.11469	6.2
437.12506	6.1
551.04675	1.3
583.16132	1.3
601.17212	25.0
602.17377	4.4
647.26080	1.3
657.19958	10.0
658.20044	2.1
667.24420	1.2
733.22601	1.4
751.23932	62.2
752.24335	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	751.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63048	0.4
57.03439	0.7
59.01362	1.1
59.58554	0.4
61.98829	13.9
63.02406	1.0
65.00321	5.4
70.41689	1.1
71.01374	1.2
79.38905	0.4
81.03465	0.6
83.01382	4.0
91.05547	0.5
93.03460	4.0
95.05048	1.2
96.95966	0.4
97.02946	1.5
99.92573	0.7
101.02457	0.6
106.04249	0.6
107.01396	5.1
107.05033	1.2
108.02229	0.5
109.02946	2.4
113.06093	0.7
116.92863	5.9
117.03480	1.0
119.05021	1.4
121.02967	1.9
125.02446	13.6
125.09732	1.4
131.01401	0.4
132.02167	0.7
133.02983	5.0
134.03741	12.3
135.04526	100.0
136.04855	4.5
137.02452	0.9
139.04015	2.6
143.05035	2.2
145.02954	2.8
147.04529	4.3
147.08141	1.2
148.01646	0.5
149.06082	8.3
151.00366	24.8
159.04494	3.2
160.01662	0.7
161.02440	20.5
162.02840	0.9
163.00362	3.9
163.04021	4.1
164.01117	1.4
165.01918	2.7
169.06673	0.7
171.04535	2.4
171.08231	0.5
171.10211	1.1
172.05052	0.5
173.06055	3.4
174.03210	2.1
175.04002	0.5
177.01936	3.1
177.05550	0.9
179.03404	0.9
181.05103	2.6
183.04547	0.7
185.02504	0.6
187.03995	1.4
187.09738	0.8
189.01918	2.5
189.05559	1.2
191.07117	3.1
196.00201	0.5
197.06062	3.5
198.06360	0.4
199.03934	2.5
201.01944	1.0
201.05566	1.0
203.03496	1.1
205.01357	0.6
207.02988	8.2
209.11760	0.8
211.13347	0.7
213.05560	1.0
215.03488	0.6
215.07127	2.6
216.04193	0.5
217.05043	0.6
221.04536	0.5
225.05511	0.9
227.03499	1.7
228.04176	1.5
229.05125	0.6
233.08093	0.5
239.03535	0.6
239.07162	2.3
241.05188	1.1
242.05775	2.1
243.02957	0.6
243.06610	1.7
253.05011	2.2
254.05801	1.5
255.02975	2.8
255.06290	0.5
257.04474	3.9
257.08224	2.8
267.02988	1.7
269.04556	0.8
270.05203	1.3
271.05862	0.5
275.09268	4.0
281.04529	2.3
282.05347	0.9
283.06122	9.6
284.06406	0.7
285.04077	1.8
286.04816	1.4
287.05527	4.9
288.05753	0.5
291.19397	0.5
293.21136	1.2
295.06223	0.9
296.06967	3.5
297.07477	0.7
299.05640	1.2
301.07123	6.4
302.04285	1.0
302.07681	1.2
327.08859	0.6
341.06473	0.6
342.07339	0.6
343.08179	2.9
378.45093	0.4
391.08115	1.6
392.08795	2.4
397.13431	1.1
403.08365	0.9
418.10495	8.0
419.11206	3.8
435.10831	4.7
436.11615	5.0
437.12427	6.4
438.12503	0.8
449.15616	0.8
475.14093	1.9
493.15167	0.5
571.16168	0.5
583.15906	0.5
601.17145	35.3
602.17529	6.8
657.19855	3.9
658.19904	1.3
715.38721	1.6
721.22644	1.1
722.23193	0.5
733.23059	2.3
735.91846	0.4
751.23907	47.7
752.24286	13.6
781.63464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
61.98831	1.8
70.65600	0.3
70.65924	0.4
71.01379	1.1
72.81342	0.2
72.99305	2.3
75.00871	100.0
76.01210	1.0
89.02435	1.1
101.02450	0.8
109.67956	0.3
113.02442	0.4
119.03513	0.4
125.02468	0.3
138.40305	0.2
140.22397	0.2
148.20636	0.2
167.68828	0.2
179.05673	0.2
235.08310	0.6
238.24979	0.2
277.21744	3.1
278.22079	0.4
371.56256	0.2
397.13480	6.1
398.13992	0.5
399.47769	0.2
415.14496	1.8
416.15131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	4.5
57.62128	2.3
58.00574	2.2
59.01377	100.0
61.98828	35.0
69.03468	3.2
69.18747	23.8
69.63984	2.7
71.01385	65.2
72.99297	6.2
73.02946	14.0
83.01360	5.8
85.02957	24.0
87.00869	6.3
88.98790	3.4
89.02447	38.0
95.01373	8.8
96.96003	3.5
98.20689	5.4
99.00865	3.2
101.02436	37.9
103.00329	3.8
110.20299	2.3
113.02451	36.6
116.92873	8.8
119.03481	13.3
125.02390	3.1
131.03502	3.1
137.09648	2.7
143.03506	4.8
149.06071	3.3
155.10728	8.2
161.04544	10.7
163.04018	5.0
178.89586	3.6
179.05589	7.1
199.09688	8.8
211.07564	3.7
241.10861	2.8
307.24661	2.6
422.17926	2.9
440.19110	20.6
441.19669	4.4
442.19611	4.2
482.20261	3.2
485.30997	13.8
503.32773	6.0
647.36462	98.6
648.37036	19.0
665.37396	62.3
666.38135	13.1
669.89935	2.8
707.38574	24.6
708.38879	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	751.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.0
56.23537	0.9
57.03447	1.4
58.00611	1.6
59.01385	32.9
61.98831	56.3
69.03471	2.2
70.34259	1.7
70.34599	2.1
71.01385	26.4
71.05016	2.6
72.99314	2.3
73.02945	4.9
75.00880	0.9
81.03467	2.1
83.01398	3.5
85.02963	4.3
87.00874	7.2
89.02448	24.0
93.03500	1.0
95.01393	2.5
97.02950	6.0
97.06557	1.3
99.00880	2.1
101.02439	20.6
106.04193	0.9
111.04538	1.4
113.02444	11.2
119.03503	7.5
123.23926	1.0
125.02452	9.7
134.03711	1.1
135.04553	9.2
143.03490	3.1
151.00316	2.3
161.02486	2.0
161.04515	4.5
171.10310	2.0
179.05571	4.4
209.15648	1.0
210.06575	0.9
211.07610	1.5
211.13364	2.2
221.06602	2.1
221.15517	1.1
223.17014	2.8
225.11377	0.9
231.21230	1.0
235.08226	8.9
235.17056	13.9
236.17360	1.9
238.44824	1.1
245.06653	1.3
253.09274	2.9
275.20129	15.5
276.20486	2.0
287.08090	2.0
293.21222	71.6
294.21536	6.4
305.08789	4.4
323.09744	1.4
397.13513	100.0
398.13861	8.8
415.14569	37.8
416.14929	3.9
601.16974	3.0
691.35950	1.3
751.23914	3.2
751.36542	1.2
752.24792	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	751.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86032	0.4
55.01870	1.2
57.03437	1.0
59.01378	34.9
60.01701	0.4
61.18297	0.4
61.98828	10.7
66.15676	0.4
68.01737	0.4
69.03452	0.5
71.01377	16.8
71.52715	0.7
72.99297	1.2
73.02944	5.6
81.46977	0.4
83.01381	2.5
85.00739	0.4
85.02953	8.7
85.61847	0.4
86.00098	0.5
87.00874	1.0
89.02447	5.9
91.64542	0.3
95.01408	2.2
96.95992	1.2
97.82847	0.3
99.00873	2.3
99.92568	0.8
101.01804	0.8
101.02438	10.8
107.57213	0.4
111.00922	1.0
113.01708	0.7
113.02452	7.9
116.92854	4.5
117.92817	0.8
118.92661	0.6
119.03481	2.3
123.43452	0.4
125.02419	0.8
129.01973	0.5
131.03465	0.7
143.03481	0.7
157.12291	0.6
159.02977	0.6
161.04597	2.1
167.96684	0.4
179.05647	1.0
180.85175	0.4
255.02858	0.4
485.31229	1.0
503.32410	3.8
504.32755	0.7
527.32227	1.3
545.33270	100.0
546.33606	16.9
569.33386	1.7
651.74408	0.4
653.89465	0.4
691.31879	1.6
707.37164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.4
58.00604	1.6
59.01379	36.6
60.80973	0.9
61.98828	33.7
62.71882	0.9
69.03438	2.1
71.01382	45.0
71.52768	1.0
71.53159	1.9
72.99316	1.8
73.02945	12.9
79.31808	1.0
83.01392	4.8
85.02959	13.1
87.00875	4.1
88.98817	1.5
89.02448	32.0
95.01386	2.2
96.96011	6.7
97.02952	4.3
99.00877	12.8
101.02451	25.9
113.02451	15.2
114.22261	1.0
116.92850	1.4
119.03497	4.5
125.02444	9.8
127.03944	1.0
131.03493	4.8
136.07693	6.3
149.04546	7.0
150.06856	1.1
159.03001	2.0
159.06664	2.5
161.04555	7.3
179.05611	4.1
191.05586	2.7
221.06606	2.9
233.06424	1.4
245.41841	1.2
266.80240	1.3
275.07684	2.2
293.09030	3.4
301.12216	1.2
305.90970	1.0
316.21326	1.0
349.14185	2.0
350.14291	2.4
399.23752	2.3
502.19260	1.3
504.31604	1.4
505.32205	3.4
514.91974	1.2
531.28168	21.2
532.28455	3.5
534.22302	2.8
547.34674	2.5
561.29071	5.1
627.24518	1.5
659.27441	8.3
691.29816	7.4
693.33313	100.0
694.33691	19.8
709.38159	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13781	1.4
57.03448	5.9
58.00584	2.2
58.56992	1.5
59.01379	68.0
61.98830	69.8
63.46347	1.6
66.87759	1.7
69.03429	1.7
69.27991	10.7
71.01383	47.9
72.99314	3.5
73.02940	11.2
80.96530	1.8
83.01388	7.1
85.02945	21.1
87.00883	5.0
88.98833	2.0
89.02435	21.5
95.01392	6.1
96.96006	4.0
99.00876	5.4
101.02437	29.9
111.00904	3.1
113.02460	26.5
113.03182	3.0
116.92845	6.6
119.03506	7.5
119.05022	2.9
125.02439	4.7
143.03517	2.0
159.03044	1.8
159.23959	1.7
161.04585	5.0
171.10260	1.9
179.05736	1.7
201.11334	2.2
209.11932	1.8
222.96399	1.8
368.60184	1.8
487.32584	7.1
505.33691	7.2
630.66516	1.9
649.38031	100.0
650.38141	17.6
667.39160	61.8
668.39240	13.8
709.40131	43.6
710.40729	9.5
753.34692	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	754.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.3
61.98833	12.1
69.24862	7.7
79.72417	1.1
80.05053	7.7
94.02988	16.2
98.20673	1.8
104.05048	2.2
106.06622	2.0
108.04574	2.1
108.08186	4.1
121.05334	3.5
122.06113	1.6
124.04022	1.9
132.04553	1.7
134.06120	3.5
136.04106	1.3
136.07680	67.4
137.08000	3.1
138.05595	6.6
148.04012	1.8
150.05577	3.0
153.04315	1.5
174.05547	2.5
180.06610	1.2
186.12878	1.2
188.07193	2.5
190.05051	1.6
201.10388	5.3
211.08725	2.2
213.10254	2.5
225.10309	2.6
227.11848	3.3
229.09821	5.5
229.13446	9.5
235.08443	1.0
237.10332	2.2
239.11908	4.9
249.10367	1.0
250.07516	1.9
251.08186	1.4
251.11853	1.3
252.08795	1.3
253.09813	2.6
255.11357	3.9
257.12997	3.4
263.08163	1.3
264.09076	1.2
265.09808	3.2
266.10489	1.3
267.11386	3.0
273.12323	2.9
278.06961	3.8
278.10446	1.9
279.07797	4.2
279.11316	4.0
281.09293	0.9
281.12723	1.1
291.11691	1.4
293.09329	15.7
294.09836	3.7
295.10757	3.1
296.11465	1.0
297.12314	3.0
301.11917	5.6
305.09244	1.0
306.10245	2.2
307.07620	1.4
307.10721	6.3
308.11505	1.1
309.12445	6.2
310.12851	1.2
319.12976	21.5
327.13538	3.0
337.08286	8.3
338.08777	1.8
339.13293	1.3
348.17316	1.1
351.10007	1.2
373.14420	0.9
374.15054	3.6
375.15372	1.7
386.15179	1.3
391.15527	1.1
392.16028	3.9
400.16522	2.1
402.18216	1.6
414.14536	1.6
415.19037	1.6
416.15863	2.9
416.20474	1.6
428.16187	2.8
434.17422	1.7
442.17651	2.5
443.18439	6.8
444.19394	5.2
446.17068	2.2
447.17810	1.9
458.20801	3.6
460.18805	1.9
470.17029	3.0
476.21771	1.6
487.17496	7.0
488.18338	14.1
489.18634	1.4
502.19778	5.0
503.20319	1.3
520.21527	1.3
523.23407	2.1
534.22388	11.6
535.23035	2.9
541.24695	1.2
565.24524	2.1
567.22150	1.2
583.25568	6.7
584.25977	2.1
597.27032	1.1
599.24731	2.2
615.28320	8.0
616.28961	2.1
627.24677	9.7
628.24689	1.7
631.27551	2.2
641.26208	5.2
642.26385	1.7
659.27197	100.0
660.27545	26.9
660.38269	0.7
673.28888	5.2
674.28674	1.4
691.29828	66.1
692.30273	16.4
731.74066	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26088	0.6
59.01373	4.8
61.98829	19.2
65.29218	0.7
70.49130	1.5
70.49463	0.9
71.01391	1.7
71.28268	0.7
73.36689	0.8
80.05062	5.1
82.02950	0.9
85.02927	1.0
89.02433	1.1
89.96186	0.7
94.02985	13.7
96.95974	1.4
101.02468	0.9
104.05073	1.5
106.06614	1.4
107.22983	0.8
108.04530	1.3
108.08177	1.7
116.92874	3.1
121.05315	2.5
122.06138	0.9
124.04120	0.7
134.06110	2.1
136.04039	1.7
136.07681	47.6
137.08038	1.5
138.05609	5.0
148.03973	0.9
150.05571	2.7
153.04262	1.2
160.04022	1.2
168.06621	0.7
174.05583	1.7
176.74854	0.6
180.06667	1.3
188.07152	1.8
190.05138	0.9
201.10347	1.7
211.08749	1.5
213.10347	1.7
225.10287	2.8
226.11057	1.0
227.11913	2.6
229.09764	3.0
229.13435	5.0
235.08723	0.9
237.10228	1.2
239.08237	0.8
239.11848	2.1
249.10396	1.3
251.08200	1.1
252.08981	1.2
253.09760	2.2
255.11270	2.8
257.12909	1.6
265.09763	3.3
267.11288	2.2
273.12469	2.9
277.09738	1.3
278.06970	2.5
278.10379	1.6
279.07730	3.3
279.11395	2.8
281.12866	1.2
293.09204	7.3
294.09961	2.8
295.10886	1.4
297.12457	3.7
301.11951	4.3
305.08990	0.9
307.10837	3.1
309.12387	2.8
319.12976	12.5
320.13586	1.4
327.13547	1.1
332.13849	1.3
337.08337	4.8
338.08850	1.1
358.15585	0.8
372.17142	0.9
374.14948	3.3
386.15070	1.1
388.16473	0.9
391.15298	1.0
392.16159	2.8
401.17325	1.7
402.18243	1.9
416.15527	1.4
416.20279	1.3
434.17099	2.5
442.17590	1.0
443.18604	3.9
444.19083	3.1
446.17392	1.8
447.18005	4.9
448.18347	0.9
458.20792	2.5
460.18295	1.5
462.20343	2.7
487.17166	4.6
488.18265	6.6
489.18994	0.9
502.19699	3.4
523.23309	1.8
534.22571	10.3
535.22894	1.2
541.24652	1.5
542.24451	0.9
565.24371	1.7
583.25629	3.3
599.24969	2.1
609.23315	0.9
615.28143	1.7
627.24524	7.0
628.24646	1.7
631.27710	3.3
632.28735	1.0
641.26019	2.7
649.38635	0.8
650.38470	2.7
659.27209	23.4
660.27478	4.1
668.39471	1.4
673.28937	7.7
674.29156	1.6
691.29822	100.0
692.30090	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	754.294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.9
61.98832	64.8
67.90022	1.7
70.81894	4.0
70.82233	3.5
71.01385	8.3
79.95746	2.3
80.05059	6.2
85.02953	2.8
87.00909	2.0
89.02444	4.2
94.02991	19.3
95.01408	1.9
95.96467	1.8
96.96010	9.1
99.92539	2.8
101.02454	2.9
108.08190	4.3
113.02432	2.3
116.92862	8.4
121.05361	2.7
122.06102	1.8
125.02467	2.1
128.03540	1.9
134.06122	5.0
136.07686	69.6
137.07945	1.9
138.05630	7.1
146.06123	2.3
148.04076	1.9
150.05609	3.9
150.06789	2.1
180.06686	2.4
188.07178	3.9
190.05077	2.7
199.25258	1.8
201.10420	2.7
209.11848	1.7
223.96230	1.7
225.10307	4.0
229.09741	4.7
229.13416	6.9
236.51236	1.9
237.10365	2.2
241.76494	1.9
250.07390	2.3
251.08090	3.1
253.09613	3.6
255.11252	2.6
263.08231	2.0
263.12619	1.7
265.09833	6.7
277.09628	1.9
278.06921	6.3
279.07611	6.5
279.11380	5.4
281.12891	1.9
291.07932	2.8
293.09354	29.5
294.09875	7.4
295.10797	4.9
298.33099	2.0
301.12024	4.9
306.10223	4.6
307.10852	7.1
309.12448	6.5
319.12943	15.0
325.97156	1.9
337.08212	15.6
338.08862	3.7
357.82861	1.9
374.15027	2.4
386.15146	3.5
392.16135	3.0
400.16641	2.6
414.14197	2.8
415.18927	5.0
434.17310	3.6
442.17615	5.3
443.18454	10.1
444.19131	10.8
458.20795	7.4
460.18643	2.3
470.17163	4.4
476.21515	4.9
487.17361	11.8
488.18243	22.0
489.18994	3.9
502.19553	13.7
503.20380	2.6
534.22467	35.8
535.22400	5.2
583.25464	4.0
615.28241	8.1
626.61975	1.9
627.24542	5.7
641.26227	10.9
659.27142	100.0
660.27637	23.7
673.28406	7.2
691.29822	58.2
692.30200	15.8
694.33258	7.6
698.05121	2.1
711.39227	3.4
732.84290	2.4
778.48199	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	754.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
60.36217	0.2
61.98829	100.0
62.98507	0.3
69.25200	0.5
69.25598	1.7
71.01395	0.4
89.02467	0.3
96.96020	1.0
97.12255	0.2
101.02442	0.4
113.02411	0.3
116.92844	1.3
116.95876	0.2
156.26129	0.2
171.10210	0.3
197.11836	0.3
209.11842	1.3
211.13551	0.5
222.13466	0.2
253.09337	0.3
273.49939	0.3
291.19788	0.3
309.20596	0.4
399.14331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57690	1.1
65.00315	1.6
67.04105	1.0
69.79764	3.9
69.80175	2.0
71.01380	1.4
74.24261	1.1
85.11459	1.0
92.56228	0.9
98.19912	1.5
110.00092	1.5
118.80740	1.0
119.04955	1.1
129.06329	1.1
133.01436	3.6
136.10054	0.9
136.98688	1.0
144.80646	1.1
149.99593	1.6
151.00323	1.4
160.33461	1.2
163.03990	2.2
164.98239	3.0
165.99013	2.1
170.03758	1.6
171.04562	1.1
171.83519	1.2
178.99889	1.8
181.01358	1.6
186.03221	3.9
197.02386	2.5
198.03200	1.4
202.02696	2.7
212.04730	2.3
213.01862	1.7
214.02745	2.0
226.02693	1.8
227.03529	2.1
228.04219	2.4
229.01431	3.2
230.02135	5.9
241.01430	4.7
242.02135	3.9
243.02907	3.7
255.03008	3.9
256.03760	1.7
257.00903	8.1
258.01688	13.6
259.01917	1.5
269.00986	3.0
270.01630	2.7
271.02512	7.5
273.04037	2.6
283.02405	3.3
284.03214	2.3
285.00446	16.4
285.03723	1.7
286.01193	36.6
287.01801	5.3
299.01913	6.3
300.02734	8.1
301.03513	25.1
302.03992	2.4
312.99902	23.0
314.00739	6.7
314.04022	2.1
315.01407	3.4
315.04816	1.3
327.01520	2.7
327.98248	1.6
328.02225	46.9
329.02994	95.4
330.03723	49.3
331.04114	4.5
343.04562	96.3
344.05157	23.0
345.06119	57.6
346.06427	4.2
357.05917	1.2
371.04037	3.4
372.04767	1.4
386.06436	2.9
387.07117	16.1
388.07767	1.8
491.08237	2.7
491.91718	1.1
492.09210	2.4
506.10580	14.0
507.11374	30.4
508.12000	5.3
534.09973	2.3
549.12488	100.0
550.12897	14.8
571.14630	2.0
591.13562	30.3
592.13818	5.0
654.09229	1.8
669.17218	1.3
711.17700	86.7
712.17889	17.6
765.55109	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	755.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.1
59.01382	1.5
61.98831	1.2
63.89988	0.2
65.00323	1.0
69.98067	0.5
69.98457	0.5
70.99408	0.2
71.01376	1.0
74.02443	0.3
77.66396	0.2
79.19151	0.2
83.01390	0.9
83.49238	0.2
85.02941	0.4
88.98779	0.3
89.02449	0.4
99.04516	3.1
101.02438	1.5
105.03451	0.4
107.01398	2.4
113.02493	0.4
119.05017	0.9
121.02920	0.3
125.02434	1.4
129.35841	0.3
133.02953	11.0
141.10362	0.2
143.03529	0.3
148.05299	3.9
149.02441	1.6
151.00357	4.8
163.04027	0.6
163.07648	5.8
175.02519	0.4
175.03984	3.0
177.62698	0.2
185.06093	0.3
198.03214	0.5
199.03989	2.5
201.01927	0.7
213.05598	0.4
215.03500	0.4
217.05132	1.5
241.05031	0.8
243.02992	0.6
245.56880	0.3
255.16154	0.3
257.04480	0.4
267.03015	0.3
285.04041	100.0
286.04364	8.0
367.13559	0.2
415.14975	0.5
469.17297	1.9
651.39575	0.7
711.40741	0.4
755.32330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	12.2
61.98827	14.2
68.39506	1.7
71.01373	3.3
71.21433	2.7
81.87136	1.5
82.73271	1.5
101.02446	2.2
113.02481	1.7
121.49232	1.4
151.11255	1.6
159.55789	1.4
169.12344	55.0
170.12662	1.9
171.10275	17.0
235.08153	2.8
243.46156	1.7
253.09363	4.9
277.21707	100.0
278.22067	8.0
295.42056	1.6
324.86993	1.4
405.21191	2.8
425.71332	2.0
508.05301	1.4
513.30786	3.8
634.98663	1.7
709.41620	12.8
727.42957	9.1
728.42511	3.7
755.42438	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	755.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.3
58.00567	0.3
59.01379	6.4
60.48993	0.2
61.98822	2.7
67.34743	0.3
67.35128	0.3
71.01383	3.4
73.02943	1.0
80.96485	0.3
83.01403	0.4
85.02961	0.7
87.00892	1.4
89.02444	2.1
91.04022	0.3
95.01351	0.3
97.06640	0.3
98.19864	0.5
99.48343	0.3
101.02450	3.2
107.42945	0.3
113.02427	1.7
115.22639	0.3
119.03525	0.7
125.09717	1.3
127.11295	1.9
127.43353	0.3
141.12782	0.6
143.03580	0.4
143.10754	0.6
153.09267	0.3
153.12863	0.4
155.10774	0.9
159.69769	0.3
161.04530	1.5
169.12332	1.0
171.10262	8.6
179.05603	1.3
179.10773	1.1
181.08641	0.3
185.11790	0.8
197.10014	0.4
197.11829	8.3
198.12186	0.3
199.09734	3.4
213.11362	2.8
215.12871	100.0
216.13211	6.7
224.54169	0.3
231.64537	0.3
235.08279	1.3
241.07956	0.3
241.10759	0.4
253.09279	9.3
254.09822	0.5
277.21713	41.2
278.22076	4.3
433.20926	1.7
435.18591	0.4
451.21829	7.6
452.22192	0.6
457.33264	0.5
475.34552	0.6
513.30585	0.5
647.77606	0.3
661.42267	0.3
663.95148	0.3
690.00421	0.3
695.40356	0.4
711.43158	0.9
737.41010	1.2
738.40839	0.4
755.42230	14.5
756.42609	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	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94306	0.4
57.03448	0.4
59.01379	7.4
60.80938	0.4
61.98834	3.6
68.99574	5.5
69.03439	0.4
70.36517	0.7
71.01389	3.4
73.02948	1.6
73.18669	0.3
78.27356	0.3
81.03464	0.3
83.01396	0.5
83.05036	0.4
85.02940	1.0
87.00871	3.4
89.02442	1.9
95.01395	0.5
101.02435	3.6
112.98573	6.5
113.02441	2.4
119.03503	0.9
125.09739	0.6
127.11305	1.3
127.41756	0.4
141.12868	0.5
141.43021	0.3
145.05037	0.8
153.12701	0.3
155.10786	0.9
161.04512	1.9
169.12288	0.9
171.10274	7.3
179.05650	0.4
179.10757	0.7
180.56989	0.3
181.08807	0.4
185.11876	0.6
197.11852	7.0
198.12219	0.3
199.09785	2.0
213.11290	1.7
215.12869	71.1
216.13206	3.9
235.08224	13.4
236.08495	0.5
253.09283	11.1
253.11877	0.7
254.09785	0.8
259.20721	0.3
275.19983	0.4
277.21710	100.0
278.22061	10.4
300.11255	0.3
433.20752	3.6
434.21323	0.6
451.21768	2.4
457.33249	0.5
475.34454	0.4
513.30774	2.8
514.31006	0.7
695.39410	0.6
711.43073	0.9
737.41229	2.3
738.41443	0.8
755.42181	20.7
756.42358	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	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.3
61.98539	1.4
61.98834	14.9
64.16586	1.0
71.01405	2.2
89.02441	1.8
101.02422	1.8
113.02466	2.3
151.11278	1.7
163.81808	1.2
169.12344	100.0
170.12685	4.2
171.10263	27.8
190.27834	1.2
213.11157	1.8
227.98808	1.2
235.08282	6.6
240.42110	1.2
253.09335	6.4
277.21732	67.5
278.22021	5.8
278.89355	1.0
312.35419	1.3
334.73529	1.2
358.56955	1.3
363.11801	1.1
405.21320	7.9
407.19223	1.4
513.30627	2.5
538.30396	1.2
709.41504	14.8
710.42010	3.6
727.42755	11.3
728.42944	4.3
755.42535	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	755.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95813	0.7
59.01376	10.9
61.98831	20.4
71.01376	3.0
73.02943	1.1
83.01339	0.9
85.34918	1.0
87.00878	8.5
88.00380	3.7
89.02444	1.7
101.02431	2.9
113.02431	2.0
117.95025	0.7
121.67971	1.0
127.11243	1.6
133.62688	0.7
138.52361	0.7
145.05057	0.7
161.04510	1.1
181.12332	3.6
199.13393	100.0
200.13730	5.7
235.08260	5.1
253.09309	15.3
255.23163	1.0
277.21713	92.3
278.22009	10.2
306.01917	1.0
365.01740	0.9
386.05930	0.9
431.76810	0.8
435.22073	1.8
459.34622	4.8
513.30701	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	757.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.7
59.01384	5.8
68.47903	0.5
68.99813	0.6
69.03432	0.6
69.38377	3.2
71.01379	11.6
72.99306	1.6
73.02974	0.5
75.00866	16.2
83.01375	1.0
84.09384	0.4
85.02955	2.5
87.00870	4.9
89.02439	2.1
93.03443	4.7
95.01372	0.7
96.95975	0.6
97.02927	0.7
99.00871	5.9
103.00370	19.7
104.37390	0.5
104.57065	0.6
111.00851	1.1
111.75640	0.5
113.02459	0.8
116.92908	1.2
117.03444	0.6
119.05020	12.9
120.05324	0.9
120.35872	0.4
124.06920	0.5
129.01935	16.9
131.03470	0.8
137.02454	6.2
140.84471	0.6
145.02948	4.0
159.02989	1.9
161.06073	1.4
161.08206	2.3
161.14700	0.5
163.04004	18.8
164.04343	0.6
177.04050	9.7
177.05574	0.9
179.03479	0.9
183.04585	0.5
193.05145	0.7
195.05089	50.7
196.05400	1.3
205.05070	1.4
209.04512	1.1
211.03761	0.5
227.03531	1.5
227.32487	0.5
239.09195	2.0
239.12851	1.2
255.02982	5.8
265.07187	1.1
283.02502	11.3
284.03241	2.6
285.04041	9.5
323.07700	0.8
341.08740	100.0
342.09064	8.7
415.11713	7.4
415.16608	2.2
416.12399	1.0
441.60666	0.6
446.08356	1.8
447.09061	0.7
489.10312	5.3
503.54770	0.7
531.11664	1.3
567.84155	0.5
651.15643	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	757.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.6
59.01380	8.3
68.99817	0.7
71.01382	13.0
71.24144	0.5
71.51586	0.5
72.99311	1.0
75.00871	20.5
82.14098	0.5
83.01392	0.6
85.02957	4.0
87.00875	5.9
89.02440	1.4
93.03452	6.6
93.53252	0.4
97.02927	0.9
99.00881	6.0
99.04476	0.5
101.02486	0.8
101.06080	1.6
103.00372	28.9
104.00715	0.9
113.02446	0.9
115.00336	0.6
116.92851	1.6
117.03490	0.7
119.05023	16.1
120.05361	0.8
129.01950	18.0
131.03464	0.8
133.06555	0.7
134.03792	0.7
136.01648	0.5
137.02448	8.5
138.72156	0.5
141.01918	0.8
145.02950	4.9
149.02484	0.5
159.02992	2.2
161.06058	2.0
163.04008	22.4
164.04353	1.1
175.02516	1.1
177.04051	10.0
179.03522	1.0
195.05096	49.7
196.05373	1.8
205.05029	1.0
209.04538	2.1
235.06155	0.6
239.09245	3.8
265.07138	1.8
323.07800	1.1
329.02484	0.6
339.07242	0.9
341.08759	100.0
342.09052	8.7
351.12851	2.5
369.08136	0.8
415.12119	13.0
416.12558	1.7
417.13879	1.4
489.10776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74986	1.2
57.03439	4.3
58.00589	3.0
59.01380	36.7
60.01696	1.4
61.98819	1.2
62.43991	1.2
71.01382	29.3
71.06887	2.3
73.02946	15.8
75.00881	1.8
83.01387	18.1
85.02956	4.3
87.00879	5.6
87.04512	3.5
92.23219	1.3
93.03471	1.9
101.02441	8.6
101.38583	1.3
103.00372	69.9
111.00899	2.4
111.08141	1.5
113.02444	2.0
115.00366	5.9
119.05013	1.2
121.02934	1.5
123.04534	2.6
125.06026	1.4
127.94213	1.2
131.03510	3.3
132.02161	8.3
133.02983	6.8
134.03741	71.6
135.04510	3.3
136.01669	2.9
137.02422	10.1
137.09714	2.9
139.03986	2.3
139.11270	18.3
140.11639	1.6
147.04524	9.6
148.05302	3.7
149.02437	1.5
149.06088	24.3
160.01662	59.3
161.02104	2.6
162.03246	1.6
165.09189	2.9
169.12305	7.7
174.03264	4.7
175.02480	17.7
175.03969	92.5
176.04781	25.5
177.01881	2.2
177.05298	2.6
178.02707	29.9
179.03146	1.5
179.10765	5.0
181.12340	5.0
183.10266	24.9
191.07138	34.9
192.04312	2.2
193.05058	100.0
194.05409	5.0
195.13922	5.0
197.11797	5.8
199.13274	1.5
202.02713	10.4
206.05855	6.9
207.06694	2.8
217.05043	36.1
218.05429	2.0
218.36774	1.3
221.08194	14.5
223.13283	4.1
224.13576	1.6
225.11313	27.1
226.11670	1.8
235.06165	18.0
236.06511	1.9
239.12910	1.8
241.14410	19.0
242.14841	2.9
243.12361	29.6
243.14717	1.5
244.12657	1.7
247.06064	9.4
249.11272	3.5
250.04877	1.8
265.07162	61.3
266.07394	3.9
267.12372	5.1
281.13721	1.6
283.15506	11.2
284.03296	1.9
284.15665	1.6
285.13364	4.8
291.12372	5.0
309.13449	1.5
325.09174	11.1
327.14545	10.8
369.15430	1.9
387.16589	50.4
388.16864	5.8
489.10809	1.6
537.20593	1.7
581.22394	53.5
582.22791	9.7
623.23370	10.5
635.23419	11.0
636.23639	1.8
653.24500	41.6
654.24847	7.9
713.26721	5.0
723.84998	1.5
757.25391	31.0
758.26007	7.9
771.78363	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	757.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74200	0.2
55.43743	0.2
55.46745	0.2
57.03456	0.3
59.01386	2.5
61.98831	2.2
64.58032	0.2
71.01391	0.2
71.51963	0.2
73.02946	0.6
86.33289	0.2
89.02413	0.3
96.96017	0.3
99.92584	10.0
100.92589	0.8
111.34574	0.2
114.93394	0.5
116.92867	100.0
117.01942	1.2
117.92877	6.0
149.06033	0.2
156.98518	0.2
185.11691	0.2
209.11839	0.3
211.13387	0.2
227.12962	0.2
311.65714	0.2
330.95190	0.2
393.02441	0.2
537.72522	0.2
713.38507	0.3
757.39417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
57.03437	1.3
59.01378	6.4
60.99313	0.4
66.95197	0.4
67.01878	0.4
68.99806	1.2
69.03439	1.2
70.64088	0.9
71.01381	12.1
72.99327	2.7
73.02961	1.0
75.00871	9.9
81.03457	0.6
83.01391	0.5
85.02953	9.6
87.00872	3.8
88.98804	1.8
89.02423	2.4
91.03976	0.7
91.41441	0.3
91.92284	0.4
93.03464	1.0
95.01388	2.7
99.00881	4.6
99.92523	0.4
101.02439	0.7
103.00368	2.6
109.02950	0.5
111.00863	0.5
113.02447	10.9
115.00380	3.6
116.92873	0.6
117.01933	1.6
117.03417	0.5
119.05032	5.2
120.05376	0.5
121.02954	45.8
122.03288	1.6
125.02489	0.6
129.01929	2.1
130.08725	0.6
130.99892	0.5
133.01430	6.5
134.03748	2.8
157.01416	0.5
159.58420	0.4
163.04012	11.1
169.05109	0.6
175.02443	1.7
175.03851	0.6
177.04015	1.0
193.03520	0.5
193.05049	3.0
195.05057	3.6
231.05087	3.2
249.06148	28.3
250.06493	1.6
255.02911	1.6
279.05069	0.5
283.02472	3.3
284.03290	0.9
285.03970	2.3
286.94946	0.4
305.82062	0.4
307.96237	0.4
333.45602	0.4
353.08875	0.8
369.08234	0.6
371.09805	100.0
372.10135	9.7
444.12238	0.4
447.09286	0.5
489.10391	1.0
626.87341	0.4
651.15814	3.5
723.52979	0.4
758.34332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80055	0.8
57.03964	0.7
59.01374	4.9
61.98830	34.8
71.01389	2.2
71.52322	1.5
82.02988	1.3
94.02995	15.8
96.96026	1.9
101.02415	1.0
108.08216	5.7
113.02454	1.1
114.12890	0.9
115.92072	1.3
116.92864	5.7
117.92873	0.9
121.05327	4.7
134.06134	1.7
136.07681	100.0
137.08029	4.5
138.05598	3.6
153.04301	3.0
161.09854	0.8
171.10345	1.1
174.01740	1.1
183.13899	1.2
195.43634	0.8
202.74490	0.9
209.11891	1.9
225.11330	0.9
227.12912	2.6
235.08884	1.3
237.10332	1.8
246.36441	0.8
248.09407	1.4
249.06699	1.1
249.10297	7.6
250.11104	1.3
251.11873	3.5
261.10440	1.6
262.07336	2.7
263.08267	10.3
263.11102	1.3
264.08984	6.9
265.09491	0.9
275.08292	1.7
276.08969	3.6
277.09827	11.1
278.10587	22.8
279.11322	20.4
280.11798	1.8
285.03958	1.2
289.09674	1.4
290.10449	3.6
291.11380	16.3
292.12003	2.0
299.37277	0.9
305.09189	1.0
311.14044	1.6
322.09619	2.8
323.10294	1.9
335.10251	1.5
398.19000	1.9
399.19626	1.9
400.20203	2.1
412.16663	3.1
426.18192	6.0
427.19012	14.3
428.19720	10.2
429.20358	1.3
440.75488	0.9
444.19748	1.2
454.17654	1.9
458.20761	2.1
471.17984	12.6
472.18640	11.2
473.18762	1.5
489.57990	0.8
504.21384	31.8
505.21924	6.4
583.25623	1.5
615.27832	4.4
627.24561	35.1
628.24884	7.5
659.27179	89.6
660.27533	24.0
690.50037	1.0
690.83118	0.9
713.39874	1.7
725.28064	7.2
726.28571	2.0
757.31091	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	757.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72311	0.9
59.01365	2.9
61.98824	7.5
63.06971	0.9
63.94019	0.7
71.01373	1.3
76.06540	0.7
82.02965	0.8
94.02984	10.8
96.95997	2.7
103.00372	2.3
106.34357	0.8
108.08221	3.8
109.47991	0.9
116.92847	4.0
121.05344	4.6
124.04042	2.0
125.29611	0.8
134.06125	1.7
135.03291	1.0
136.07678	100.0
137.08041	4.4
138.05588	3.6
152.03542	0.8
153.04240	2.6
160.94897	0.7
161.79482	0.9
193.30022	0.8
236.09450	1.2
237.10277	1.8
240.17287	0.8
248.09511	1.7
249.06633	1.4
249.10362	7.2
250.10846	1.6
251.11830	3.8
253.86249	0.9
262.07446	2.2
263.08167	11.0
264.08972	7.0
265.09537	1.2
275.08301	1.3
276.09012	3.9
277.09836	10.5
278.10602	20.6
279.11343	21.2
280.11621	2.3
285.03973	1.0
289.09772	1.1
290.10571	2.7
291.11365	16.7
292.11685	2.7
300.03070	0.9
305.09213	1.2
311.14041	1.5
317.09161	1.1
322.09470	2.3
323.10275	2.9
335.10095	0.8
374.14926	1.1
384.17142	1.0
386.19196	0.8
388.43155	0.8
398.14484	1.5
398.19052	1.5
399.19351	2.7
400.20288	1.7
412.16568	2.3
413.17123	1.0
426.18210	6.2
427.14194	1.1
427.19049	11.4
428.19824	8.4
429.19687	1.3
444.19168	3.1
453.16827	1.2
454.17538	5.0
458.20633	1.5
471.17853	9.7
472.18710	15.8
473.18915	2.3
504.21384	35.8
505.22012	6.2
583.24884	1.2
599.24908	1.4
615.28088	4.0
627.24634	28.2
628.25018	6.3
659.27161	73.7
660.27606	21.2
680.95251	1.0
713.40967	0.9
725.28229	20.0
726.28680	6.6
757.30542	4.0
758.29688	1.1
762.68146	1.2
775.35461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63240	10.4
59.25262	10.5
60.43150	9.6
61.98834	100.0
73.44582	12.2
75.00880	22.2
88.98805	23.9
98.20749	21.0
136.09116	14.3
161.77924	10.4
181.51804	10.8
225.11313	18.8
277.21609	37.8
573.16284	13.9
721.41931	18.5
757.39301	59.7
758.39124	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	757.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82452	12.6
53.96545	10.9
59.01390	15.3
61.98826	100.0
69.43643	21.1
69.44053	82.1
88.98800	25.1
137.08437	12.3
207.10442	18.4
225.11305	32.1
262.11655	12.9
268.93146	13.8
277.21732	46.7
394.95880	13.3
721.41406	21.1
757.38898	67.7
758.39600	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	14.2
61.36156	0.4
61.98832	10.6
64.99468	0.5
70.78036	1.3
71.01382	2.5
78.15002	0.5
83.01385	0.8
83.05011	0.6
85.02913	0.9
89.02453	1.7
97.02930	0.7
97.06605	1.4
100.29693	0.5
101.02448	2.3
109.36101	0.6
112.77730	0.5
113.02403	0.7
116.92877	0.6
123.04515	0.5
123.08168	0.7
125.09750	2.5
127.11311	1.6
137.09743	1.5
161.04547	0.9
163.11269	2.3
165.12772	0.8
171.10262	100.0
172.10588	4.3
175.45395	0.5
181.12428	0.7
185.11790	1.7
191.14427	1.7
197.91238	0.9
207.10310	1.1
209.11804	6.4
210.12100	0.6
211.13470	0.6
217.16002	0.5
221.11710	0.5
225.11345	1.5
235.08205	2.2
237.11234	1.2
245.19099	4.2
246.19211	0.6
253.09227	7.8
263.20129	1.8
277.21609	1.0
289.18088	30.1
290.18597	2.7
302.86224	0.6
307.19144	27.0
308.19403	2.6
402.28772	0.6
407.19131	2.4
507.26443	0.7
525.27124	1.4
581.29987	0.7
687.27667	0.6
757.44696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.4
61.98810	1.7
63.22063	1.2
63.25033	1.4
71.00081	2.8
71.01372	4.0
71.30583	1.6
93.03466	1.5
99.00812	1.3
103.00410	1.3
111.21167	1.2
115.00327	2.4
119.05021	2.8
133.01387	2.1
134.03740	4.1
148.15631	1.4
163.04039	2.5
167.07864	1.4
173.05896	1.4
175.02507	2.1
193.05049	4.3
195.04947	1.7
211.03961	2.4
227.03523	11.8
235.38470	1.4
255.02971	49.6
256.03458	4.2
283.02481	99.7
284.03128	28.0
285.04034	80.5
286.04553	7.6
297.03860	2.6
327.05130	2.6
369.08307	3.5
446.08374	15.6
447.09308	12.4
489.10376	46.2
490.10538	4.7
531.11243	7.4
651.15637	100.0
652.15973	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	759.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	5.6
59.01378	19.5
61.98790	1.4
62.39592	0.8
68.99792	1.1
69.03453	2.4
71.01382	30.2
71.51983	1.1
72.99294	3.4
73.02941	6.5
75.00874	17.5
78.99661	0.8
83.01401	6.6
83.05040	1.2
85.02972	6.3
87.00879	4.7
87.04508	2.0
89.02438	3.2
96.96005	2.0
97.02952	1.8
99.00885	9.1
101.02461	5.4
103.00369	1.8
108.75289	0.8
111.00883	1.4
117.03416	1.2
121.02957	1.7
123.04544	1.5
129.01944	16.3
131.03485	1.8
132.02132	1.5
133.02922	1.8
134.03745	43.8
135.04352	1.8
137.02431	5.4
139.03995	1.6
139.11299	7.5
141.01968	0.9
147.04483	3.3
148.05281	1.7
149.06097	10.9
159.02937	1.8
160.01662	8.1
161.02361	1.2
165.09239	1.5
169.12299	1.7
175.02553	1.8
175.03987	11.3
176.04767	5.0
177.04033	16.3
178.02705	20.9
178.04253	1.7
179.03358	2.5
179.10744	1.1
181.12257	2.7
183.10260	10.4
191.07152	5.8
193.05049	46.5
194.05396	3.5
195.05089	15.3
197.11688	1.4
225.11363	8.1
235.06134	4.9
243.12360	20.4
244.12665	1.6
249.11133	1.1
267.12372	0.9
285.13370	1.7
295.08066	1.1
327.14398	1.3
353.08612	2.0
368.41171	0.9
371.09784	9.6
387.16492	3.3
405.17838	1.8
581.22137	7.6
582.22180	1.7
583.23505	1.2
741.25549	9.2
742.25958	1.3
759.27130	100.0
760.27533	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73505	2.3
59.01380	3.7
61.98829	100.0
70.00054	4.8
70.00455	5.8
71.01382	38.5
79.88364	2.4
86.38861	2.3
161.04510	2.8
171.10257	32.2
172.10551	5.6
199.09805	7.0
201.11282	5.5
207.10237	6.4
209.09912	4.4
209.11826	62.7
210.12071	2.9
215.12860	6.1
216.13112	3.6
219.10057	2.9
225.11310	3.1
227.12875	18.2
234.69479	2.8
252.33807	2.8
253.09279	6.3
277.21735	47.5
278.21988	5.8
279.23370	28.7
280.23676	2.9
341.52084	2.6
438.61630	2.7
445.20636	6.1
491.78134	2.7
551.82776	2.5
606.32990	3.3
723.43726	3.0
759.40967	23.0
760.41022	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	759.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04003	4.1
56.89377	3.6
59.01380	5.6
61.98830	91.3
68.52273	3.4
69.85300	13.7
69.85699	8.3
71.01374	10.7
77.86243	3.3
83.05046	4.5
86.31396	3.4
88.63922	4.2
94.57751	4.3
108.04461	3.5
154.47231	4.1
171.10280	9.6
181.58984	3.8
193.84254	4.2
206.76689	4.2
209.11845	56.4
210.11932	4.1
227.12866	13.6
235.08224	11.8
251.01393	4.0
253.09271	9.8
277.21735	100.0
278.22092	10.7
279.23303	13.4
290.42734	3.9
338.00598	4.0
519.23389	4.0
759.40479	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.1
61.98829	27.3
70.37107	3.4
70.54594	0.8
71.01376	2.9
89.02438	2.2
101.02445	3.5
107.85588	0.9
111.08147	4.0
113.02435	1.6
116.92855	5.1
118.96999	0.8
125.09696	1.0
127.11267	0.9
128.22083	0.8
136.88383	0.8
143.31946	0.9
161.04495	1.7
163.29124	1.0
169.12328	2.4
171.10266	100.0
172.10571	4.2
179.05426	1.2
179.10858	1.1
197.11827	23.3
198.12181	1.4
199.13405	1.3
209.11813	1.0
211.13371	3.7
227.12981	0.9
235.08246	5.1
253.09279	13.1
263.20190	1.1
273.18594	1.2
284.74280	0.9
291.19638	15.0
292.20026	1.6
307.94452	1.1
309.20685	36.1
310.21124	4.3
407.19125	3.2
452.41336	0.9
481.33173	1.0
527.28497	2.1
545.29791	2.4
606.85577	1.0
668.89264	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
61.98829	100.0
71.35616	0.4
79.94612	0.2
96.84204	0.2
96.96046	0.2
108.41595	0.2
112.80015	0.2
116.92851	0.3
134.33040	0.2
171.10237	1.0
172.10616	0.2
196.47333	0.2
201.17538	0.2
215.91289	0.2
288.05170	0.2
571.45349	0.2
770.00024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41738	1.8
57.03429	3.5
58.00587	2.3
59.01119	3.0
59.01383	43.6
61.98830	16.7
62.22614	1.7
63.42358	1.9
71.01386	23.9
73.02924	6.2
75.00861	2.4
80.05016	3.9
83.01360	2.6
85.02944	6.0
87.00874	4.1
87.04486	2.1
88.98774	6.9
89.02419	7.9
96.96003	4.9
101.02436	11.0
103.00379	2.1
104.05047	4.6
106.06597	7.5
108.04527	8.6
113.02409	8.5
116.05051	2.4
116.92844	2.6
119.05036	13.3
122.06089	7.8
125.02380	2.7
132.04553	54.6
133.04901	2.8
134.03711	6.3
134.06128	64.2
135.06477	2.9
137.09706	2.9
139.11284	27.4
148.04050	4.3
149.06084	10.3
150.05606	43.1
152.07210	11.0
158.06079	6.7
160.03993	4.4
163.04048	10.9
163.11214	2.8
171.10226	3.2
174.01852	2.2
176.03505	14.1
176.07066	3.8
181.12366	18.6
183.10233	22.9
188.03459	8.1
190.04965	4.3
195.13881	9.2
197.11841	2.8
201.94147	2.0
211.36760	1.9
223.13367	2.0
225.11317	13.9
239.12924	2.6
239.66193	2.0
243.12341	19.9
244.12645	2.6
251.11798	7.5
255.11308	3.6
261.18158	2.0
263.07813	2.2
269.12796	6.0
279.11368	28.9
280.11777	2.7
285.13409	10.5
295.10764	6.6
295.50098	2.2
296.11301	10.1
297.12418	22.3
298.12463	3.8
305.09332	9.7
313.10782	7.4
323.10440	14.0
337.11926	5.7
345.15527	2.5
405.17761	10.5
413.17123	2.3
447.21991	5.8
459.17767	2.5
602.97107	2.2
623.29681	5.8
641.30817	100.0
642.31464	21.6
667.28351	4.3
669.26337	5.2
670.47607	2.3
685.29755	15.0
711.27539	8.7
717.32751	4.3
729.28735	59.6
730.29120	15.6
743.30627	13.3
761.31110	86.5
762.31250	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	763.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.2
58.96944	0.2
59.01377	18.1
66.68095	0.2
72.09634	0.2
83.05031	0.8
85.02909	0.3
85.06588	0.5
96.95997	0.3
97.06592	0.4
103.00378	0.3
120.17117	0.2
139.11275	0.9
141.12877	0.3
157.40524	0.2
163.11256	1.0
165.12856	0.5
175.09734	3.5
179.14365	1.6
181.12254	0.3
195.13913	0.7
197.15457	17.3
198.15765	1.0
205.57120	0.2
217.10745	0.6
225.14944	18.8
226.15327	1.3
243.15988	100.0
244.16312	7.4
255.28445	0.2
283.02600	0.3
285.17059	61.6
286.17386	6.0
291.34134	0.3
346.34000	0.2
574.87793	0.2
604.46417	0.2
648.52460	0.2
761.70093	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02410	0.6
65.00340	0.7
69.37193	2.4
69.37615	0.7
83.01364	0.5
87.00911	1.0
93.03466	1.4
102.20605	0.5
107.01407	1.1
117.03459	1.2
121.02964	0.5
135.00862	0.8
150.82347	0.4
151.00345	2.7
154.04225	0.7
159.04517	1.5
163.00397	0.5
165.02011	0.5
169.06610	1.2
171.04497	0.4
173.02426	0.5
183.04546	3.7
185.06027	1.3
187.04034	0.9
189.05608	0.7
199.04092	0.6
211.04042	2.9
213.05576	1.3
215.03363	0.6
227.03474	11.7
228.03899	0.9
229.04982	1.0
239.03410	0.7
239.80971	0.4
240.04337	0.6
241.05055	1.0
243.03055	0.5
255.02986	62.7
256.03427	6.7
257.04364	0.9
269.04590	0.9
281.04333	0.6
283.02469	100.0
284.03076	22.2
285.04028	62.6
286.04373	5.2
297.03964	2.0
298.04373	0.5
299.05652	0.7
303.80426	0.4
309.03888	0.7
326.04352	1.3
327.05078	4.0
399.02435	0.5
489.10382	22.3
490.10583	3.5
515.28247	0.5
516.12695	11.8
517.13470	24.7
518.13806	4.4
531.11414	7.0
532.11884	1.0
653.86212	0.5
721.19830	57.0
722.20105	12.6
731.86365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
59.25938	0.2
60.99305	18.5
61.98830	3.1
65.44311	0.2
70.41582	0.7
70.97939	0.2
71.01384	0.4
74.14300	0.2
87.00874	0.8
88.00399	2.6
88.98803	100.0
89.02441	12.5
89.99139	1.4
94.65782	0.2
277.21716	0.7
397.13599	0.8
506.26187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
60.99307	17.5
61.98824	1.9
70.36793	0.4
70.37199	0.3
71.01365	0.3
80.39780	0.2
87.00878	1.4
88.00404	3.0
88.01214	0.3
88.98806	100.0
89.02440	15.8
89.99136	0.9
112.75073	0.2
116.92809	0.3
134.89537	0.2
162.18927	0.2
200.57732	0.2
239.31717	0.2
277.21741	0.6
326.41794	0.2
389.38315	0.2
397.13370	1.2
408.91885	0.2
415.14420	0.5
765.37744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.3
62.77068	0.6
65.00321	1.1
68.41428	0.6
69.20532	2.3
69.20959	3.7
83.01395	0.8
85.58047	0.6
87.91545	0.6
103.00353	0.8
107.01415	1.5
143.73698	0.6
148.01707	1.0
151.00334	5.4
152.00838	0.7
163.00377	2.0
164.01234	0.7
175.09753	4.8
189.01961	0.9
189.24422	0.6
203.08318	1.2
214.02628	1.7
215.03416	1.2
217.10837	1.5
219.09999	0.7
227.03548	3.9
229.01439	0.7
241.01451	2.5
242.02200	16.5
243.02969	19.6
243.12360	0.8
244.03372	1.7
245.00876	5.2
245.09306	1.8
254.02296	0.8
255.02995	2.2
256.03751	0.8
257.04584	4.6
268.03781	0.8
269.04321	0.8
270.01691	28.0
271.02438	21.8
271.05435	1.0
272.03046	1.9
282.01688	1.0
283.02463	1.4
285.04053	17.0
285.07233	0.6
286.04691	4.2
298.01169	7.7
299.01953	9.0
299.05362	1.4
300.02740	23.1
301.03119	2.0
312.02783	2.1
313.03537	75.1
314.04236	32.3
315.05072	52.0
315.08896	1.1
316.05551	4.5
327.05020	2.6
339.05093	1.2
342.03455	0.8
356.05331	2.6
357.06125	8.4
358.06396	0.9
381.06229	0.9
477.10654	0.8
490.89581	0.7
503.08160	2.4
518.10663	9.6
519.11414	100.0
520.11761	13.0
555.27350	0.7
561.12469	18.8
562.12811	2.8
585.13019	0.9
681.15216	0.6
723.17780	46.8
724.18079	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17491	0.4
59.01370	0.6
60.99306	17.2
61.98822	1.9
63.94023	0.4
70.78075	1.0
70.78410	0.4
71.01392	0.5
73.07516	0.4
87.00901	0.8
88.00399	2.3
88.98804	100.0
89.02443	10.1
89.99130	0.9
105.69192	0.5
112.17519	0.4
116.92832	0.8
137.46277	0.5
138.21336	0.4
138.44315	0.5
198.67282	0.4
397.13525	1.0
610.51422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40193	0.8
58.81474	0.7
59.01381	13.8
61.98831	5.3
65.62515	0.7
70.36617	2.3
71.01369	2.0
79.54426	0.8
83.73492	0.9
85.02953	1.0
87.00914	0.9
89.02431	1.1
96.02171	0.8
96.95935	0.7
98.20683	1.0
101.02446	1.6
111.53373	0.8
126.62370	0.7
182.62274	0.8
183.13919	4.2
192.86531	0.8
193.12384	1.9
211.13388	100.0
212.13785	5.5
212.15541	0.8
235.08183	3.3
235.10738	0.9
253.09253	6.4
277.21716	73.9
278.22046	6.4
282.68915	1.1
358.74066	0.9
429.21005	1.7
447.22192	6.3
472.22269	0.9
504.11954	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.8
59.01377	5.9
59.40470	0.8
61.98826	6.1
70.98766	1.5
71.01397	0.9
73.02944	1.3
83.01385	1.8
88.98811	4.1
89.02459	1.1
101.02443	100.0
102.02758	1.5
114.93436	3.8
114.94148	0.8
171.08824	1.3
171.10263	18.4
177.91705	0.7
183.14009	0.7
209.11853	1.7
211.13412	4.2
216.28520	0.8
253.09354	0.9
277.21707	9.0
278.22006	0.9
467.28781	0.8
751.42310	1.0
769.43781	50.8
770.44128	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.8
59.01375	3.5
59.21572	0.5
61.98833	3.9
71.01379	1.1
73.02958	1.4
83.01392	1.8
98.19862	1.1
101.02441	100.0
102.02797	2.3
113.98857	0.7
171.08826	0.8
171.10275	13.4
209.11765	0.9
211.13338	4.2
224.29810	0.6
253.09276	1.4
277.21713	15.1
278.21939	1.7
489.94778	0.7
646.31775	0.6
751.42804	1.4
769.43744	54.7
770.44122	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	6.2
59.01375	4.4
61.98826	7.0
63.32285	0.6
71.01372	0.9
73.02934	1.0
73.18735	0.5
74.31747	0.6
75.59161	0.5
83.01391	1.4
89.02408	0.5
94.69769	0.6
97.19321	0.5
98.19859	1.2
101.02440	100.0
102.02792	1.9
113.02448	1.0
140.95139	0.5
149.84930	0.5
161.04538	0.6
161.94698	0.5
171.10248	11.2
185.11819	1.4
195.10204	1.2
209.11728	1.1
211.13341	2.8
213.11302	0.9
223.90854	0.5
253.09256	2.0
277.21716	21.6
278.22116	2.2
699.29517	0.7
716.01459	0.7
751.43060	1.1
769.43781	50.6
770.44073	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.0
59.01382	4.4
61.98827	3.0
70.98662	0.7
71.01382	1.7
73.02934	1.9
77.09623	0.4
82.51640	0.3
83.01382	1.5
83.78672	0.3
85.02958	0.3
89.02432	0.7
97.55296	0.3
99.97740	0.3
101.02445	100.0
102.02808	2.2
137.60912	0.4
161.04636	0.5
171.10269	16.8
172.10614	1.1
185.11835	0.9
209.11830	0.7
211.13405	4.3
213.11325	0.5
229.14447	0.7
233.09351	0.4
245.11870	0.3
252.65396	0.3
253.09264	1.8
277.21698	14.9
278.22021	1.5
348.29419	0.4
465.81601	0.4
513.30347	0.4
533.50494	0.4
751.42505	1.1
752.43518	0.4
769.43781	54.7
770.44055	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	770.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	4.4
60.98743	1.2
61.98832	6.2
70.45278	1.5
70.45613	1.8
71.01371	1.6
78.25760	1.0
80.05030	5.2
92.16007	0.9
94.02982	10.5
94.06630	1.7
104.05061	3.0
106.06599	2.4
107.03768	4.6
108.04575	1.3
122.06120	21.1
124.04048	1.8
132.04578	1.9
134.06126	5.9
136.04024	1.8
138.05592	5.2
139.02730	0.9
148.04010	1.6
149.04849	1.0
150.05626	5.0
152.07164	46.4
153.07484	1.7
160.04051	1.7
174.05600	2.2
175.05133	1.0
180.06725	1.1
188.07179	1.5
190.05167	1.9
201.10318	4.0
211.08751	1.5
213.10309	2.9
223.08635	1.2
225.10382	3.2
227.11816	3.8
229.09834	6.5
229.13445	2.9
237.10254	2.3
239.08032	1.2
239.11890	3.8
241.09735	1.5
245.12985	9.3
247.10780	1.3
250.07495	1.9
251.08200	1.3
252.08833	1.0
253.09792	3.0
255.11339	3.3
257.12900	2.5
259.10934	1.4
265.09766	6.1
267.11346	3.5
273.12418	2.1
277.09802	2.0
278.06964	1.5
278.10529	2.9
279.07758	4.0
279.11374	2.4
293.09332	11.1
294.09976	3.5
295.10739	6.0
296.11420	1.5
301.11920	9.3
307.10892	3.9
309.12393	2.9
311.10458	1.7
313.11884	2.7
317.11365	1.3
319.12949	31.8
320.13351	3.3
323.10373	4.0
325.11905	1.2
327.13477	2.1
332.14401	1.4
337.08319	6.3
338.09073	1.7
339.09985	1.7
344.13959	1.4
355.13187	1.2
358.12201	1.3
374.14996	5.9
386.15363	1.2
391.15488	1.3
392.16101	4.3
400.13068	1.5
416.16229	5.0
417.16586	1.6
418.13654	1.2
428.16083	2.0
432.18964	1.4
434.17059	4.3
442.17441	1.4
446.17017	1.2
458.16794	1.5
459.17789	3.6
460.18649	3.9
463.17358	1.5
476.18265	2.2
486.16882	2.1
492.20917	1.1
503.17050	4.4
504.17755	9.8
505.17911	1.7
518.19385	4.1
539.23340	2.1
550.22058	8.4
551.22516	1.7
557.23798	2.0
571.25824	1.7
581.24335	1.9
583.21985	2.9
584.22174	1.5
599.25055	13.3
600.24854	1.7
615.24695	5.1
625.22949	2.3
631.27448	2.7
643.24036	24.5
644.24335	5.4
647.26990	4.1
657.25775	5.8
658.26544	1.5
675.26678	100.0
676.26886	21.3
689.27905	4.5
690.27557	1.3
707.29279	63.7
708.29681	14.3
726.40039	1.6
735.03033	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
71.38145	0.5
102.49913	0.2
115.15657	0.2
211.13406	0.5
212.13780	0.4
278.22028	0.4
279.23080	0.2
338.40591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99130	0.2
57.03448	0.5
57.63967	0.2
59.01379	2.7
61.98827	0.3
66.90129	0.2
71.78361	0.2
72.99310	0.6
81.03453	0.4
83.05022	0.6
87.26555	0.2
90.13604	0.2
91.05545	0.5
93.07098	0.4
97.06584	0.4
98.19881	0.7
119.05036	2.2
133.10222	2.3
137.09776	0.3
141.07114	1.6
142.07513	0.2
143.05017	0.3
145.06580	3.0
146.07091	0.2
155.08698	0.3
155.10800	0.2
157.06587	1.9
157.10222	1.5
158.07336	0.3
159.08156	11.2
160.08939	10.8
161.09204	0.5
163.11267	0.6
173.09706	5.1
174.10020	0.5
175.11272	53.6
176.11610	4.1
217.12245	0.4
219.10249	100.0
220.10568	7.6
227.03516	0.8
229.38501	0.2
237.11292	0.4
255.02948	1.1
256.03589	0.2
260.96149	0.2
266.77643	0.2
279.12421	0.5
284.03268	1.2
285.04007	0.4
357.13098	0.2
379.51443	0.2
447.09256	2.9
448.09695	0.3
563.70435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01379	18.0
65.02038	0.4
69.32787	0.9
69.33193	2.6
71.01378	4.2
72.99290	0.8
73.02947	0.9
74.02454	0.5
75.00865	0.8
76.58078	0.5
83.01409	0.9
85.02946	1.9
87.00878	3.6
89.02453	1.4
90.52110	0.5
93.03463	1.9
97.70583	0.5
98.72879	0.5
103.00372	100.0
104.00693	1.0
107.93249	0.5
115.00378	6.9
116.04543	0.5
117.03437	2.7
119.05029	27.5
120.05290	1.1
121.02963	1.6
128.03574	0.6
131.05013	1.1
132.05835	1.2
133.06601	3.0
134.03699	0.9
145.02950	19.2
145.06616	3.1
146.03354	0.9
147.04544	1.3
149.06061	1.3
159.04514	2.4
160.05190	0.5
161.06067	13.6
162.03203	0.9
162.06577	0.7
163.04004	27.7
164.04373	1.6
173.06042	2.5
174.06390	0.6
175.02477	8.2
175.03976	1.0
177.05554	5.2
187.04002	16.3
188.04401	0.9
189.77379	0.4
191.07150	5.5
193.03532	21.0
193.05286	1.1
194.03949	0.7
195.05075	1.5
201.30888	0.5
205.05061	4.9
217.04962	2.4
231.03050	0.7
235.06105	42.4
236.01350	0.5
236.06453	3.0
249.04091	1.1
254.28896	0.5
277.07181	2.7
278.07382	0.5
285.62482	0.5
305.04218	0.5
306.07538	0.7
321.06110	5.7
339.07190	71.6
340.07455	6.8
361.16602	0.7
369.08173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60684	0.2
59.01373	0.5
60.54451	0.2
61.98823	2.3
63.10213	0.2
64.84873	0.2
68.64990	0.2
73.02941	3.2
75.00881	0.2
87.04474	0.2
89.82653	0.2
99.00887	0.5
99.92584	10.3
100.92594	0.6
114.93420	0.6
116.92860	100.0
116.97230	2.0
117.01942	6.0
117.92872	5.3
121.17552	0.2
190.73122	0.2
245.20158	0.2
277.21790	0.3
313.18930	0.2
324.43259	0.2
573.29541	0.2
699.44086	0.2
744.51331	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.0
57.03447	92.1
58.00587	2.3
59.01378	100.0
61.98827	42.6
66.85506	1.6
71.01382	60.3
71.51718	2.4
72.99301	4.7
73.02932	11.7
79.34589	2.2
81.03452	3.9
83.01392	9.2
83.05042	1.8
85.02946	18.3
87.00861	4.5
89.02442	42.3
94.02954	2.4
95.01383	3.8
96.95999	7.3
99.00881	3.8
99.04519	36.5
101.02439	57.9
113.02444	25.6
116.92875	8.6
119.03507	12.9
119.04981	2.1
123.04497	2.4
125.02438	25.5
136.07698	8.8
138.05626	2.3
143.03485	3.3
151.54735	1.6
152.07111	2.1
161.04552	5.8
171.10159	2.2
179.05554	5.6
181.12199	2.5
183.10214	2.2
191.78874	1.9
209.11772	3.5
215.11897	3.1
226.22363	2.0
243.12405	2.6
246.41069	2.0
278.10443	2.7
319.12976	2.6
341.53305	1.8
405.17664	2.3
430.17886	1.8
447.27359	1.8
465.28149	10.0
474.16620	2.6
543.89093	2.1
601.26141	4.1
609.32642	34.4
610.33252	6.4
627.33807	96.1
628.34180	19.0
645.25623	3.6
659.27063	4.1
669.34833	14.2
670.35114	2.6
677.28186	20.2
727.38739	3.4
740.29803	2.0
771.38086	99.2
772.38580	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.3
59.01105	0.4
59.01376	9.6
60.75938	0.3
69.20577	2.7
71.01389	0.6
73.60235	0.3
73.60705	0.3
81.02166	0.3
119.08662	6.0
120.09148	0.3
121.06606	1.3
137.09720	31.1
138.10052	1.4
149.09727	1.1
149.94843	0.3
151.11281	0.6
161.09647	1.7
163.04068	0.4
167.14444	0.7
175.11324	0.9
177.12830	6.2
219.10228	1.7
220.10764	0.6
221.11827	6.2
222.12241	0.5
227.03545	1.1
227.63666	0.3
231.42513	0.3
239.12886	100.0
240.13226	7.3
255.02968	1.9
281.13934	56.7
282.14304	4.8
284.03183	1.6
285.03857	0.5
300.02774	0.9
301.03580	0.7
447.09244	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	773.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
57.03445	53.5
58.00586	2.1
58.68602	0.7
59.01379	69.3
61.98838	4.3
64.75123	0.7
70.78233	0.9
71.01379	42.9
72.99301	3.1
73.02955	6.6
75.00835	0.9
81.03453	1.6
81.40469	0.8
83.01392	5.6
85.02947	12.8
87.00858	3.2
89.02444	28.5
95.01370	3.2
96.96011	2.1
99.00877	1.9
99.04522	15.0
101.02440	39.5
111.00875	2.6
113.02449	21.3
113.03243	1.0
115.56696	0.8
116.92802	1.1
119.03495	10.6
124.01638	1.6
125.02441	12.2
130.31018	0.9
131.03450	1.6
136.07689	1.7
143.03462	2.6
159.03029	1.1
161.04495	3.3
179.05574	1.6
209.11671	1.2
227.12766	1.1
237.29309	1.0
292.72180	0.9
310.12189	0.8
520.21362	1.0
611.34204	20.3
612.34631	3.6
629.35425	82.0
630.35779	14.8
671.36401	14.8
672.36566	2.8
711.40057	1.1
715.64117	1.0
773.39630	100.0
774.39929	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.1
57.03450	45.4
58.00552	2.0
59.01380	68.7
61.98830	28.3
68.22941	1.8
69.15546	4.6
69.15960	18.4
70.21496	2.1
71.01377	37.4
72.99297	2.6
73.02937	7.5
81.03426	2.7
83.01376	2.7
83.05022	3.7
85.02945	20.6
87.00861	4.5
89.02443	30.6
95.01383	4.5
96.96000	10.0
97.02943	3.6
97.06467	1.9
98.19897	5.0
98.45837	1.8
99.00800	1.8
99.04541	12.1
101.02438	37.6
107.05021	2.6
108.46418	1.8
110.77779	1.8
113.02455	19.4
116.92863	17.9
119.03532	11.8
125.02460	12.9
125.50694	2.0
143.03490	3.7
148.15259	1.9
161.00845	1.9
161.04549	4.1
171.10258	10.0
209.11826	51.4
211.13322	6.3
227.12836	9.4
229.14395	3.8
235.08354	2.0
253.09319	11.4
283.82834	2.1
309.20544	4.1
327.21741	31.5
328.22183	3.7
368.89517	2.3
611.34229	20.6
611.43201	3.0
629.24841	3.6
629.35400	75.5
630.35687	14.9
671.36243	9.1
766.52716	2.0
773.39606	100.0
774.39929	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.68944	18.2
69.69361	5.9
73.86594	3.6
78.09438	4.0
99.92599	4.9
114.33180	3.4
116.92837	4.9
171.52605	4.1
194.08752	4.8
212.36111	4.5
213.22417	4.5
382.44461	4.7
394.04465	4.5
654.03693	4.7
661.94611	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98540	0.2
70.32557	0.3
78.14265	0.1
80.00631	0.1
89.63894	0.1
112.63393	0.1
139.32451	0.1
162.92427	0.1
174.70226	0.1
248.44054	0.1
263.21445	0.1
279.35977	0.1
295.54260	0.1
362.68506	0.1
389.99036	0.1
507.02060	0.1
573.55688	0.1
585.76709	0.1
678.53021	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	777.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	5.7
61.98829	29.2
61.99086	4.5
71.60562	4.1
73.87755	4.7
85.81217	4.5
146.90489	4.3
201.11290	26.0
209.11845	58.1
210.11952	5.0
225.11261	6.7
227.12889	24.7
235.08194	11.9
253.09320	12.5
277.21738	100.0
278.21936	9.2
404.57648	5.0
437.20056	4.7
440.42615	5.1
445.20990	5.9
448.82806	4.7
463.21518	6.9
513.30347	7.8
669.90234	5.9
697.42432	6.2
723.42902	11.2
777.42200	31.2
778.42578	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35968	0.6
65.00312	0.6
69.44917	3.4
71.68445	0.5
72.95865	0.5
82.73161	0.6
83.01381	0.8
88.31615	0.6
90.16171	0.5
91.72516	0.6
93.03461	1.6
98.19934	1.0
101.59200	0.6
107.01373	1.2
109.02919	0.6
114.08279	0.5
117.03477	1.4
119.05015	0.7
128.15521	0.5
137.02432	0.7
138.17471	0.7
143.05045	0.6
144.68935	0.6
151.00371	2.6
159.04535	1.5
163.00386	0.9
169.06590	0.6
182.03557	0.9
183.04483	5.5
185.06068	0.7
199.03954	0.6
211.03998	3.9
211.16740	0.5
213.05524	0.9
214.02699	0.6
225.05591	0.6
227.03474	8.9
229.05081	0.7
237.98903	0.6
239.03510	1.3
241.05046	0.6
243.03183	0.6
255.02974	56.2
256.03448	5.0
257.04486	0.8
269.04578	1.2
281.04745	0.9
283.02475	100.0
284.03021	17.0
285.04028	59.8
286.04367	6.2
297.04050	2.5
299.05350	0.6
326.04202	0.8
327.05005	3.4
328.05841	0.6
407.89346	0.5
471.09329	2.4
489.10400	13.0
490.10413	1.4
530.10663	14.4
531.11377	27.9
532.11725	3.7
664.26331	2.3
675.14569	0.8
735.17755	46.5
736.18115	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	779.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99023	0.8
56.54305	0.8
57.03437	0.9
59.01377	5.6
59.01942	1.2
61.98827	3.3
69.58001	5.1
71.01378	2.7
73.02946	1.9
83.01389	1.2
85.02973	1.0
89.02463	0.9
93.03458	1.1
96.96008	5.9
97.89539	0.9
99.92592	1.4
101.02439	1.5
103.00385	0.9
105.14132	0.9
107.01398	1.2
108.08290	0.9
116.92854	8.6
117.03435	1.2
117.92797	1.1
132.04620	1.5
139.11275	0.9
151.00377	2.5
152.07124	1.1
171.10286	1.3
183.04532	3.7
183.10260	2.0
209.11952	1.4
211.03981	3.9
215.87373	0.8
225.11324	1.3
227.03516	6.7
239.12926	1.8
255.02986	48.4
256.03360	6.7
257.04517	0.9
283.02475	100.0
284.02994	16.8
285.04025	30.3
285.12518	1.0
286.04288	2.7
327.05112	1.6
447.09235	1.3
489.10309	17.9
490.10684	2.5
530.14282	10.5
531.15649	5.8
557.24323	1.2
675.19684	1.7
735.21411	51.9
736.21631	12.4
761.28064	0.9
778.39282	1.8
779.25336	1.2
779.39764	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	781.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34091	0.6
65.00320	0.8
73.29655	0.6
80.06403	0.6
80.58107	0.7
83.01408	1.1
93.03477	1.8
107.01402	1.1
117.03451	1.4
125.02473	1.0
133.02953	0.8
151.00381	3.1
159.04440	1.1
167.05037	0.7
171.04486	0.9
171.06647	0.8
176.01340	0.7
183.04500	3.5
185.06047	1.1
211.03978	3.6
213.05550	2.0
214.02609	0.8
215.03523	0.8
225.05475	0.9
227.03491	30.0
228.03795	2.9
239.03508	1.7
241.05031	3.1
253.05017	1.3
255.02982	74.7
256.03461	9.2
257.04285	1.0
268.03638	1.2
269.04556	4.0
271.05832	0.9
279.24619	0.8
281.04495	1.8
283.02466	100.0
284.03195	50.8
284.06540	1.3
285.04022	65.9
286.04398	6.7
297.03992	7.9
298.04572	1.8
299.05447	1.0
309.03842	1.3
326.04297	4.6
327.05066	8.2
351.04962	0.9
359.96323	0.7
488.09552	11.6
489.10367	82.6
490.10623	11.0
531.11389	21.5
532.11987	3.6
555.11676	1.5
651.15314	3.1
693.16699	61.0
694.17017	11.2
711.10413	0.8
737.19263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44408	0.6
59.01367	0.9
61.98819	0.7
63.02387	1.0
71.51683	0.8
83.01391	0.8
93.03477	0.9
96.95985	0.6
107.01389	0.9
115.65530	0.6
117.03465	1.2
133.01410	0.9
134.03732	0.9
151.00369	4.0
159.04535	1.2
173.02411	0.8
183.04506	3.9
185.02470	0.8
185.06081	0.8
189.63010	0.6
193.05098	0.9
211.03999	2.7
217.05023	0.7
227.03482	16.9
228.03848	1.9
229.05008	0.8
237.09230	0.6
238.10716	0.6
241.04948	0.8
245.09201	1.1
255.02974	60.7
256.03421	8.6
257.03708	1.2
269.04547	0.8
281.08151	0.8
283.02463	100.0
284.03119	31.2
285.04013	85.6
286.04370	8.5
287.04483	1.3
297.04047	1.2
309.03641	0.8
327.05127	3.9
328.05264	0.7
429.07968	0.8
447.09018	1.2
448.09143	0.9
489.10358	56.2
490.10623	10.1
491.10812	3.0
515.11792	0.7
531.11279	3.3
532.12134	9.4
533.12946	14.1
534.13086	1.7
651.16492	0.7
652.16345	0.9
653.16357	3.5
737.19305	50.5
738.19672	9.9
803.94824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.4
60.99302	9.7
61.98828	4.1
71.51987	1.9
80.05064	5.8
82.02969	1.6
88.98803	38.3
89.46204	0.8
94.02988	13.2
104.05042	1.7
106.06593	2.0
108.04585	1.8
108.08183	2.9
116.92886	2.1
120.08252	1.0
121.05354	1.8
122.06129	1.2
132.04552	1.2
134.06061	2.1
136.04079	2.1
136.07675	58.7
136.19075	0.9
137.08054	2.2
138.05653	4.6
150.05585	2.8
150.09175	1.1
153.04314	2.1
160.04095	1.2
162.05594	1.2
174.05618	2.0
180.06625	2.5
188.07167	2.0
190.05084	2.3
201.10327	2.9
213.10338	2.6
225.10301	1.5
226.10756	1.0
227.11882	2.7
229.09747	4.1
229.13396	8.2
235.08836	1.2
237.10338	1.5
239.11876	3.0
250.07436	1.8
251.08206	2.3
251.11952	1.2
253.09868	2.3
255.11362	2.2
257.13162	2.0
265.09732	4.2
266.10632	1.1
267.11307	3.3
273.12515	2.0
277.09839	1.7
278.06946	3.2
278.10413	1.7
279.07614	4.4
279.11310	3.3
281.12836	1.4
289.11859	1.3
293.09259	13.8
294.09930	3.7
295.10776	2.9
297.12369	4.2
301.11966	6.0
306.10098	1.2
307.10782	5.7
309.12390	4.6
319.12979	19.2
320.13199	1.6
327.13498	2.6
332.14240	1.1
337.08334	7.1
338.08548	1.2
374.14948	3.3
386.15378	1.2
391.15634	1.5
392.16061	3.8
416.16141	3.2
428.16061	1.7
434.17111	1.6
442.17395	1.4
443.18356	4.2
444.19083	5.3
446.17068	2.2
447.17758	1.9
458.20901	2.0
460.18549	2.9
470.17529	1.9
476.21985	1.5
487.17340	6.2
488.18091	11.1
489.18262	1.5
502.20053	4.7
534.22308	12.8
535.22516	1.4
565.24634	2.6
567.22925	1.2
583.25470	5.4
599.24805	2.4
609.23352	1.4
615.28491	5.8
627.24634	7.8
631.27448	2.9
641.26233	6.6
642.26746	1.2
659.27167	100.0
660.27588	21.5
673.29205	6.6
691.29828	70.2
692.29980	17.1
813.43890	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01909	0.5
56.31923	0.4
59.01380	14.2
61.50598	0.4
61.98828	3.7
71.01373	4.7
71.05017	0.8
72.99289	0.6
73.02942	1.6
73.15726	0.5
74.15750	0.4
80.96518	1.0
81.03465	0.7
83.01397	0.6
85.02969	0.8
87.00864	0.8
87.18472	0.5
89.02446	1.7
95.01402	0.7
95.05056	0.5
97.02952	6.2
97.06582	1.5
99.00879	9.4
101.02426	2.5
109.06586	1.4
110.03725	1.6
113.02446	2.3
119.03491	0.5
123.04550	0.6
123.08153	0.5
125.02449	0.7
125.09709	2.3
132.80818	0.4
135.08156	1.3
136.05318	1.1
142.02724	2.4
145.05119	0.5
161.04605	0.7
161.09676	0.9
163.11273	7.8
179.05701	0.4
179.10760	0.7
181.12334	17.8
182.12660	0.8
197.11772	1.1
199.13327	1.0
207.10251	48.6
208.10571	2.3
225.11313	100.0
226.11653	5.6
229.19304	0.5
235.08293	1.3
243.12367	11.4
244.12703	0.8
253.09225	3.0
268.10291	0.5
277.21710	87.5
278.22064	7.4
299.14996	1.0
317.16241	0.6
443.19122	4.1
461.20273	41.1
462.20560	4.5
721.41663	28.9
722.41992	6.1
781.41431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
59.01379	10.3
61.98832	3.8
68.99574	5.0
71.01381	3.4
72.99302	0.4
73.02956	0.8
73.68369	0.4
80.96502	1.0
83.01396	0.6
83.05043	0.8
85.02967	0.9
87.00897	0.7
89.02464	1.1
97.02960	4.0
97.06618	0.6
99.00877	6.7
101.02431	2.5
104.59339	0.4
109.06591	1.0
110.03745	0.9
112.98566	4.5
113.02467	1.1
119.03509	0.4
125.02384	0.4
125.09751	1.9
136.05278	0.6
142.02725	1.7
143.03499	0.5
151.73720	0.4
161.04527	1.0
163.11296	3.9
179.10678	0.5
181.12332	8.5
182.12810	0.5
199.13451	0.5
207.10254	25.9
208.10596	1.3
225.11311	53.3
226.11632	4.1
235.08183	2.8
243.12354	7.0
253.09264	4.2
277.21707	100.0
278.22046	10.2
299.15067	0.4
317.92990	0.4
378.82419	0.5
405.17657	0.6
443.19177	5.6
444.19562	0.5
461.20267	6.3
462.10175	0.5
462.20706	0.8
513.30194	0.5
551.92792	0.4
577.37482	0.6
684.28192	0.5
684.41150	0.5
721.41608	24.0
722.42004	5.8
781.40106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68576	0.4
59.01376	3.9
61.98829	2.2
71.01389	2.3
71.35358	0.5
71.35703	0.4
72.99223	0.4
73.02942	0.4
80.02682	0.7
81.03455	0.8
83.05026	3.7
84.02151	0.9
85.02942	1.1
87.00886	0.5
89.02428	1.6
95.68507	0.4
101.02445	2.1
112.87925	0.4
113.02456	1.1
119.03522	0.8
125.06073	0.8
134.10820	0.4
135.08086	0.7
155.61868	0.4
156.23555	0.4
161.04564	1.9
163.11269	2.5
165.12796	2.6
181.12340	0.8
191.10800	0.8
199.13348	0.6
209.11813	100.0
210.12160	5.9
227.12872	24.6
228.13220	1.4
235.08179	2.8
236.08418	0.5
253.09239	8.5
253.11842	0.6
254.09642	0.6
261.52237	0.5
277.21710	60.6
278.22040	6.6
357.11920	0.4
357.86765	0.4
445.20908	2.9
463.21698	1.2
483.89105	0.5
513.30865	0.9
723.42999	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.4
61.98830	1.9
65.49889	0.5
69.91161	1.9
71.01374	3.1
73.02940	0.5
74.74289	0.6
80.02680	1.1
81.03448	0.7
83.01418	0.5
83.05008	2.7
84.02167	0.5
85.02946	0.9
87.00903	0.5
89.02466	1.9
91.39719	0.6
98.20602	0.7
101.02429	2.3
102.12141	0.4
113.02423	1.5
120.74432	0.4
138.21745	0.5
145.05031	0.8
161.04553	1.2
163.11290	1.9
165.12866	1.2
181.12273	0.7
191.10699	0.6
209.11824	68.4
210.12123	4.7
227.12883	13.7
228.13245	1.1
235.08229	6.3
236.45038	0.4
253.09250	9.5
254.09674	0.8
277.21719	100.0
278.22076	9.8
445.20908	0.7
463.21909	0.6
513.30579	1.2
783.41309	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.1
61.98830	100.0
62.98537	0.1
68.73251	0.1
70.18712	0.2
70.19067	0.1
80.96505	0.1
83.04962	0.1
89.02460	0.1
97.03011	0.1
107.18631	0.1
116.92883	0.3
185.11755	0.1
207.10329	0.1
209.11887	0.7
210.12245	0.3
211.13451	0.2
225.11414	0.1
226.11751	0.1
227.12814	0.2
228.13278	0.1
244.86392	0.1
277.21710	1.0
278.22061	0.5
535.07965	0.1
601.30817	0.1
724.43286	0.1
784.45538	0.1
785.38513	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.98828	100.0
62.98522	0.2
71.01418	0.1
71.15577	0.1
78.95930	0.1
80.96525	0.1
88.56778	0.1
98.19841	0.1
99.92591	0.2
101.02424	0.1
115.92069	0.1
116.92856	0.9
207.10312	0.1
209.11830	1.3
210.12128	0.5
225.11345	0.1
226.11821	0.1
227.12895	0.2
253.09404	0.2
277.21689	1.1
278.22055	0.7
279.44220	0.1
282.53363	0.1
591.92346	0.1
724.42865	0.1
784.44391	0.2
785.36078	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.342
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87325	0.3
59.01374	0.5
60.99305	0.3
61.98829	19.2
63.41751	0.3
71.01378	0.5
71.14611	0.6
73.02938	2.1
78.49046	0.3
80.96524	1.3
88.98805	2.0
89.02458	0.8
99.00889	0.5
99.92582	11.9
100.92619	0.5
109.90946	0.3
113.02496	0.4
114.93391	0.5
116.92859	100.0
116.97245	1.6
117.01953	3.6
117.92879	5.3
121.84038	0.4
166.53920	0.3
183.13885	0.5
197.11835	1.0
209.11830	3.2
227.12929	1.2
253.09254	0.7
277.21631	1.7
278.22110	0.5
279.23294	2.7
280.23682	0.4
551.26117	0.4
723.42896	0.8
724.78186	0.4
785.39575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51656	3.7
59.01379	35.8
61.98828	100.0
71.01368	6.5
71.52421	4.2
81.11798	3.8
83.05008	4.0
85.14865	3.5
88.98844	6.4
94.02989	31.5
96.96015	17.6
107.80500	3.5
108.08163	12.4
116.92863	15.2
121.05324	4.7
134.06117	9.9
136.07674	82.8
137.08047	5.1
138.05563	10.6
147.38785	3.6
153.04247	3.9
171.10222	7.0
197.11723	4.3
207.10257	7.4
209.11815	29.5
211.13260	5.2
225.11258	17.6
227.12865	7.5
253.09314	8.5
331.10864	15.4
341.23264	15.1
408.13278	5.5
442.95221	4.4
452.15793	6.4
468.19318	9.2
470.17780	4.4
480.18909	25.1
481.20108	4.0
494.21613	5.4
510.23611	4.9
523.20081	6.9
553.24756	7.6
554.23114	36.5
589.27301	6.2
593.25342	4.3
597.23627	83.2
598.23364	13.6
619.25787	8.9
629.26208	83.5
630.26379	16.6
661.26538	6.6
662.26227	7.0
663.26154	5.1
678.29114	16.4
679.27765	63.1
680.28369	9.7
683.70679	4.5
694.29565	5.9
711.30414	18.3
722.28369	86.0
723.28259	15.4
754.30853	51.8
755.30969	12.1
786.31036	6.9
786.42834	5.4
787.43677	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	786.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98828	100.0
62.98529	0.2
71.06658	0.2
71.12627	0.1
100.73627	0.1
114.45106	0.1
114.67213	0.1
116.92917	0.1
158.34709	0.1
209.11935	0.2
210.12051	0.2
227.12918	0.1
267.22906	0.1
277.21762	0.2
278.22211	0.1
340.33905	0.1
446.42389	0.1
673.98322	0.1
787.38794	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.98830	100.0
62.98534	0.1
65.97350	0.1
69.20890	0.1
69.72968	0.4
73.02898	0.1
80.96508	0.2
85.53871	0.1
96.01753	0.1
98.20585	0.1
116.92852	0.2
209.11885	0.2
210.12186	0.2
219.03023	0.1
277.21884	0.3
278.22107	0.3
279.22781	0.1
293.21228	0.1
772.33759	0.1
786.50562	0.1
787.40021	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.6
58.80478	0.7
59.01376	1.3
61.98831	7.1
70.66286	0.8
70.66586	0.9
76.34293	0.6
78.80018	0.7
82.02973	1.1
94.02991	8.4
96.96009	2.4
99.04555	0.8
101.02393	0.7
104.74376	0.6
106.06651	1.1
108.04562	0.9
108.08189	4.1
115.18653	0.6
116.92867	1.8
118.72528	0.6
121.05325	5.6
124.04064	1.5
134.06120	2.0
135.03252	1.1
136.07684	100.0
137.08023	4.2
138.05582	2.5
138.29379	0.8
150.01942	0.8
152.03519	0.7
153.04292	4.0
171.10330	1.2
180.06612	0.9
186.05693	1.0
188.07140	1.0
225.10358	3.1
235.08803	1.5
237.10316	3.3
238.10883	1.0
249.10330	2.0
250.07416	4.1
251.08067	3.2
252.08937	1.4
253.09807	1.1
263.08188	3.7
265.06244	2.6
265.09845	11.2
266.10486	2.0
267.11359	2.9
275.08347	1.0
277.09833	3.8
278.06982	10.7
278.10214	1.3
279.07748	8.2
279.11096	1.4
291.07736	3.3
292.08344	1.6
293.09308	42.0
294.09991	7.8
295.10818	0.9
305.09296	7.4
306.10040	3.4
307.10812	1.7
308.11279	0.9
309.12537	1.0
326.12903	0.7
337.08282	16.8
338.08997	3.0
351.09796	1.4
374.18698	1.1
386.15176	2.5
400.16785	1.3
402.18668	0.8
414.13812	5.7
414.19110	2.0
415.19205	4.1
428.16437	2.4
432.15674	3.9
441.16971	1.4
442.17673	15.5
443.18481	18.9
444.15195	1.0
444.19339	1.2
445.16776	0.9
446.17270	6.2
447.17365	1.1
456.19403	0.9
458.17032	1.1
460.18619	1.6
468.16010	0.8
474.20505	2.2
475.21143	0.7
486.16693	23.0
487.17441	20.1
488.17905	2.0
501.19095	2.3
502.19617	5.7
518.19617	2.0
519.20020	9.1
520.20624	1.4
532.20679	1.1
533.21747	4.1
534.22424	87.8
535.22766	15.0
553.25391	1.4
554.21899	0.7
581.23962	4.6
582.24292	1.2
584.20709	1.4
613.26874	2.5
614.27802	1.0
625.23126	2.0
626.24365	0.8
630.24451	1.2
645.29163	0.8
657.25623	38.2
658.26056	13.4
658.36700	0.7
659.26923	2.0
689.28210	56.9
690.28815	28.2
691.29919	3.3
755.29218	10.2
756.30109	2.3
787.31500	6.0
788.32037	2.2
790.86407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	4.0
61.98825	12.6
69.25294	8.1
71.01366	3.1
76.79124	1.2
82.02987	1.1
84.85525	1.0
84.91753	0.8
89.02428	2.0
93.03442	0.9
94.02988	9.8
96.96006	5.1
101.02432	1.5
103.00380	1.7
104.04102	0.9
105.39369	1.0
106.50091	0.9
108.08202	5.6
110.76474	0.9
113.02441	2.1
116.92852	1.9
121.05362	4.5
131.04887	0.8
134.06123	1.9
136.07678	100.0
137.08000	4.1
138.05580	3.1
152.03586	1.2
153.04315	4.3
171.10237	2.1
192.73398	1.0
209.11803	1.3
209.86574	0.9
225.10405	2.8
231.16920	1.0
235.08730	0.8
237.10284	3.3
249.10294	1.6
250.07419	3.3
251.08163	2.6
253.09781	1.1
263.08191	3.5
264.08936	1.3
265.06250	1.6
265.09790	7.7
266.10291	2.5
267.11252	2.6
268.38367	1.0
277.09879	4.7
278.06931	11.3
278.10159	1.4
279.07632	8.4
279.11072	2.0
291.07813	4.7
291.10641	0.9
292.08316	1.0
293.09299	36.1
294.09827	7.5
295.10764	1.5
305.09244	5.5
306.09988	4.2
309.12387	1.4
319.13223	1.2
337.08279	13.6
338.08810	2.0
372.17151	1.5
386.15036	2.3
400.16827	1.1
401.17282	1.0
412.16391	1.5
413.17578	1.2
414.13690	5.4
414.18451	3.3
415.18762	2.6
428.15936	1.9
432.15884	4.6
439.32187	1.3
441.16913	1.9
442.17709	16.9
443.18542	14.1
444.14886	1.4
446.17215	5.1
447.17389	1.0
458.16611	1.2
468.15387	1.0
474.20233	2.7
485.15988	1.7
486.16769	22.3
487.02148	1.0
487.17389	15.7
501.18744	2.5
502.19867	4.1
519.20227	7.7
520.20325	1.1
533.21307	2.6
534.22418	67.0
535.22711	9.3
581.23840	5.6
582.24359	1.9
584.20428	2.2
613.26752	2.4
626.23950	1.3
630.24323	1.5
645.29340	1.5
657.25647	45.1
658.25934	11.2
659.26440	1.4
679.27557	1.6
689.28241	75.0
690.28735	30.1
690.40948	1.5
691.29315	3.6
755.29297	9.4
756.29449	2.7
787.30664	5.5
788.31000	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01380	1.3
61.98831	13.1
63.02386	0.4
65.00326	0.3
70.48245	0.2
85.02939	0.3
87.04466	0.3
87.53596	0.2
92.72572	0.3
94.02956	0.3
96.58183	0.3
96.96016	0.8
98.19869	0.6
101.02448	0.6
104.58433	0.2
107.01367	0.7
113.02491	0.4
115.00355	0.3
116.43797	0.3
117.03434	0.4
117.25265	0.3
125.02438	0.7
137.02376	0.2
151.00352	2.3
153.01930	0.3
155.10765	1.0
163.00429	0.4
166.79198	0.3
174.03255	0.3
177.46564	0.3
178.99855	0.6
183.04507	0.5
183.10260	0.4
185.06044	0.6
199.09717	1.6
211.04012	0.6
213.05272	0.3
227.03484	31.5
228.03830	1.8
229.04962	0.3
233.12401	0.3
239.03462	0.4
241.05121	0.3
241.10669	0.3
243.12357	2.2
255.02974	40.7
256.03592	6.5
257.04190	0.3
283.02496	2.2
283.05405	0.4
283.11896	1.0
284.03256	45.7
285.03992	41.6
286.04373	2.8
299.05817	0.3
327.04984	1.5
343.13983	2.2
372.31949	0.3
447.09293	100.0
448.09613	11.7
629.18695	1.6
630.18823	0.3
647.36621	0.5
703.39728	0.3
791.23907	0.7
791.40485	0.9
792.25665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.2
57.03448	57.5
58.00593	3.0
59.01379	73.2
59.76438	0.8
60.01693	1.7
61.98834	7.8
62.04728	1.1
62.80604	0.9
65.23434	0.9
69.03417	1.2
69.61195	3.5
69.61607	2.5
71.01382	45.9
71.45701	1.1
72.99302	3.5
73.02951	5.8
81.03445	2.1
83.01371	3.8
85.02950	16.1
87.00851	3.1
89.02441	39.3
90.02785	1.0
95.01354	4.8
96.95998	7.5
99.00861	2.3
99.04520	14.0
101.02440	45.0
102.02770	1.2
111.00877	2.8
112.01626	1.1
113.01716	1.7
113.02451	20.6
116.92865	1.9
119.03493	13.7
119.04967	1.1
125.02450	13.9
126.20592	0.9
131.03485	1.5
134.98108	0.9
136.07596	1.4
143.03479	2.0
159.02940	1.8
161.04533	4.3
163.04066	1.3
179.05612	2.4
223.87048	0.9
350.93243	1.0
372.19370	1.1
416.89038	1.0
485.31711	1.7
583.24121	1.2
629.35291	18.9
630.35699	3.2
647.36444	80.9
648.36743	14.1
689.37201	11.1
690.37976	2.2
791.40668	100.0
792.28040	1.8
792.41266	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17646	8.2
59.01356	9.3
61.98835	100.0
65.96641	8.9
70.51622	25.8
72.60497	9.8
109.50273	10.2
119.33840	8.1
209.11809	72.0
227.12865	15.5
277.21805	96.0
680.09552	9.4
791.42743	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84974	1.0
59.01375	16.5
61.16526	1.0
61.42414	0.9
63.02404	1.0
65.00320	1.6
70.09356	1.1
70.09714	4.4
70.65627	1.0
73.02936	1.6
75.39732	1.0
83.05076	1.2
85.02918	1.2
93.03468	1.1
96.96027	10.8
101.02412	3.2
103.00349	1.5
107.01381	2.1
116.92946	1.0
117.03440	1.5
119.05039	1.8
126.44563	1.0
151.00349	4.5
155.10797	5.9
159.04410	1.5
183.00134	1.1
183.04486	4.0
184.96658	1.1
185.06189	1.1
194.16698	1.1
195.14069	1.1
197.15475	12.7
199.09764	5.6
211.03998	4.5
215.03127	1.0
225.14955	14.8
226.15031	1.2
227.03510	24.7
228.03825	1.9
239.03387	2.0
241.10756	1.9
243.16002	79.7
244.16270	3.7
247.84485	1.1
255.02982	73.2
256.03510	9.9
257.04544	1.3
261.10788	1.1
269.04422	2.0
283.02469	100.0
284.03195	44.2
285.04047	79.8
285.17068	44.4
285.19434	0.8
285.20291	1.4
286.04419	7.1
286.17334	3.3
297.04083	4.0
300.02621	2.6
301.03479	1.7
301.12912	1.5
327.05054	4.3
361.14951	5.3
364.41962	1.3
446.08502	8.7
447.09180	5.5
463.08783	3.5
463.18222	3.3
489.10382	86.1
490.10782	11.9
531.11371	10.5
532.12128	1.9
544.12195	5.8
545.13025	4.3
651.15570	20.9
652.15619	3.5
749.19269	33.4
749.32782	1.7
750.19537	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	793.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.3
61.98827	1.5
68.99563	0.7
69.92166	0.6
71.01390	0.2
73.02946	4.1
75.00884	0.3
80.96519	0.4
98.20053	0.2
99.00884	0.6
99.92581	10.9
100.92578	0.6
112.98566	0.6
114.93430	0.6
116.92860	100.0
116.97237	2.7
117.01939	7.2
117.92867	5.6
141.01712	0.2
158.23059	0.1
236.98363	0.2
277.21774	0.2
335.17667	0.4
426.83881	0.1
710.58374	0.2
764.93268	0.2
793.51086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.3
61.98831	1.2
68.99568	0.3
73.02944	5.7
75.00871	0.3
80.96495	0.1
87.00850	0.2
99.00888	1.0
99.92581	11.2
100.92607	0.4
109.82948	0.1
112.98598	0.2
114.93418	0.5
116.03651	0.1
116.92859	100.0
116.97245	1.4
117.01933	9.6
117.92866	4.9
118.02277	0.2
135.07526	0.1
262.99588	0.1
277.21735	0.1
313.71112	0.1
397.13409	0.2
793.52155	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	14.5
61.98829	12.0
70.06726	7.2
71.01380	23.8
73.02946	2.8
81.57268	1.9
87.00916	2.6
97.06594	1.7
97.31870	1.6
99.00845	3.5
100.17320	1.6
101.02412	2.3
109.06551	2.5
113.02433	3.0
116.92886	1.8
125.09692	2.8
127.48326	1.6
137.09633	2.5
142.05591	1.7
171.10249	29.4
172.10545	2.4
181.08623	3.2
181.12308	3.6
199.09741	21.7
199.13390	4.2
201.11342	29.3
207.10216	20.4
215.12862	2.0
225.11290	24.4
235.08153	8.4
243.12358	2.4
253.09261	15.9
277.21722	100.0
278.22110	8.3
347.28058	2.0
398.70953	1.9
435.18674	4.3
461.20370	5.9
604.96326	2.1
636.41931	2.0
666.20349	2.3
695.40057	10.4
696.41199	2.3
721.42151	8.9
739.42700	6.6
757.43347	13.3
758.43988	4.2
793.42548	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	795.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
60.50385	0.5
61.98825	0.5
68.68500	0.5
71.01387	1.2
71.52013	0.4
71.71312	0.4
71.87187	0.4
72.99308	0.5
83.01387	0.6
96.96006	13.6
98.95591	5.5
98.96391	0.9
99.00862	1.0
99.92581	54.5
100.92686	3.2
100.93363	2.8
103.00355	1.1
111.00913	0.6
114.93365	0.5
114.94916	0.7
115.92073	41.8
116.92854	100.0
117.92882	5.0
117.93633	1.2
119.05047	0.7
125.94132	0.7
126.94960	0.9
132.92384	0.7
141.93628	6.5
142.94417	2.0
149.88899	0.5
151.00403	1.1
156.92352	1.5
158.93881	0.6
163.03940	1.0
167.95212	0.7
169.93079	1.1
170.93907	2.1
171.94666	1.6
173.92624	0.5
174.93381	0.7
178.99976	0.5
183.94653	0.5
184.91791	5.2
184.95422	0.9
185.92567	1.0
212.94960	1.6
216.06058	0.4
225.95798	0.6
226.96445	0.8
227.03583	0.7
237.07111	0.5
242.95969	6.1
243.96719	3.6
244.97537	1.8
255.02933	6.4
260.97018	6.0
261.97818	6.9
262.92807	0.5
283.02484	7.7
284.03265	2.7
285.04025	5.4
285.98087	0.6
287.36826	0.5
299.01981	1.8
303.98859	0.8
330.97531	1.3
338.95978	1.1
339.96884	0.7
346.97183	0.6
347.97723	0.8
354.95331	1.1
365.94672	4.6
366.95334	3.6
367.96136	0.9
368.96857	1.1
382.95221	0.9
384.96561	0.7
394.95212	0.6
489.10471	1.8
510.99911	0.5
513.01324	3.1
514.28973	0.6
529.00952	0.8
531.02582	0.7
547.02179	1.0
555.02228	0.6
559.01764	1.6
561.49420	0.5
615.00629	0.7
623.96893	0.6
667.15265	2.1
673.04584	2.5
709.07178	2.5
715.06543	1.3
733.07532	0.7
751.07996	15.7
752.08173	3.0
795.07239	12.1
796.07190	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	795.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99187	0.1
61.98833	1.9
69.18951	0.4
69.19373	0.7
73.02950	1.4
75.00868	0.1
77.79417	0.1
98.19859	0.2
99.00863	0.3
99.92582	11.4
100.92603	0.5
112.44277	0.1
114.93406	0.4
116.92860	100.0
116.97221	1.2
117.01932	3.0
117.92867	5.1
137.10768	0.1
332.79871	0.1
474.83020	0.1
637.30176	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	797.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.4
59.81609	1.0
65.00349	1.3
65.16537	1.1
71.52273	1.4
88.39786	1.2
96.96031	1.3
116.92840	1.6
123.00891	1.6
134.00101	1.6
137.09735	1.9
148.98763	1.9
149.99564	2.1
163.11327	2.0
164.98332	1.9
165.98972	1.8
171.00826	1.5
178.99854	1.4
184.05289	1.2
186.03229	4.1
202.02730	3.8
213.01891	4.2
214.02574	1.8
217.12344	4.6
225.14954	1.5
227.03532	2.6
228.04210	1.5
229.01540	2.5
230.02179	3.6
235.13440	2.9
241.01324	5.8
242.02116	2.5
243.02899	1.8
243.16028	10.2
244.16359	2.3
246.05414	1.3
255.03040	3.3
256.03723	1.9
257.00827	8.4
258.01712	10.4
259.02328	1.9
269.00922	2.4
270.01810	1.7
271.02560	5.6
272.03210	1.8
283.02438	3.9
284.03262	1.4
285.00446	17.6
285.03775	1.7
285.17105	5.4
286.01172	28.6
287.01672	3.4
299.01944	4.5
300.02771	5.3
301.03543	25.7
302.03973	3.1
312.99884	20.7
313.03323	0.9
314.00513	5.5
314.04025	2.0
315.01520	2.7
327.01517	3.2
328.02209	46.8
329.02985	64.2
330.03729	32.7
331.04367	1.9
342.03732	1.9
343.04572	75.7
344.05136	15.5
345.06168	30.3
346.06488	4.1
371.04181	2.2
386.06433	3.6
387.07141	12.2
507.10788	1.6
533.08960	2.3
534.10321	5.7
548.11810	15.5
549.12506	100.0
550.12732	15.6
561.11847	1.5
591.13586	24.5
592.13837	5.1
753.18817	75.2
754.19617	14.2
812.17755	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	797.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15382	0.2
69.20448	1.7
71.01379	14.7
72.99303	1.1
75.63022	0.2
87.00879	0.3
89.02445	0.7
90.83460	0.2
91.52382	0.2
93.03460	0.4
96.96060	0.2
97.02979	0.2
99.92582	0.8
100.92596	0.3
101.92422	0.2
115.00372	20.1
115.92085	0.7
116.00723	0.4
116.92156	0.3
116.92868	1.4
117.91926	0.4
117.92885	0.6
118.92637	0.4
119.05025	46.9
120.05356	2.2
121.02940	0.2
133.01427	56.9
134.01781	1.0
135.04555	0.3
147.14096	0.2
163.04010	100.0
164.04349	4.4
182.34399	0.2
184.86305	0.2
190.06656	0.2
208.68037	0.2
219.21997	0.2
240.86255	0.2
255.03233	0.3
273.82901	0.2
279.05093	10.7
280.05508	0.9
283.02679	0.4
285.03934	0.3
290.95023	0.2
299.02182	0.3
626.45490	0.2
753.08105	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.3
61.98830	2.4
61.99360	0.3
69.03448	0.4
70.34365	1.1
71.01382	2.6
71.16750	0.3
79.95730	0.8
80.96513	3.0
83.44637	0.4
85.02943	0.5
87.00867	0.6
89.02416	1.6
94.98077	0.6
101.02431	2.3
104.42371	0.4
112.17045	0.4
113.02442	1.1
119.03489	0.4
134.45190	0.3
138.59286	0.3
161.04524	1.0
164.98630	0.8
174.93019	0.4
179.05534	0.6
183.13892	5.5
193.12355	1.9
211.13383	100.0
212.13730	6.4
225.00766	0.8
235.08182	1.4
236.40546	0.3
241.12556	0.4
253.09303	5.6
277.21707	55.7
278.22061	4.7
429.21286	1.9
447.22321	10.5
448.22495	0.8
513.30798	1.0
707.43933	1.5
709.38239	2.8
710.37976	0.6
735.16400	0.3
781.40295	1.0
799.41339	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03324	0.9
57.03444	2.9
57.44280	0.9
59.01379	100.0
61.98830	14.3
68.90517	0.8
69.03436	1.3
69.19980	5.6
69.20383	2.4
71.01379	26.3
72.99294	2.1
73.02943	7.1
82.43519	1.1
83.01393	2.6
83.91485	0.9
85.02950	15.0
86.91624	1.1
87.00882	2.7
89.02442	10.1
95.01388	2.8
96.96004	1.6
97.02946	3.5
99.00886	3.1
99.92618	1.0
101.02451	11.8
103.00361	1.5
105.90102	0.8
111.00895	1.6
113.02450	22.9
116.92863	5.0
119.03500	3.9
124.01686	3.2
125.02444	6.6
129.01985	1.0
143.03500	2.9
159.02919	1.2
161.04631	4.3
161.05803	0.9
171.10220	1.8
207.10324	1.3
209.11781	3.5
210.11949	1.1
211.13336	2.4
215.53737	0.9
255.16159	1.1
341.23505	1.2
405.11368	1.0
449.28815	1.3
465.28201	1.0
467.30011	1.6
481.27905	2.0
557.30872	1.4
575.32031	2.1
593.33258	17.1
594.33374	2.6
611.34375	48.9
612.34631	9.0
622.47540	1.0
625.32428	1.6
629.35406	17.5
630.35767	2.7
653.35236	8.8
654.35736	1.5
671.36243	19.3
672.36938	3.2
783.39258	1.2
801.34259	1.5
801.45184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.4
58.00586	1.1
59.01381	100.0
59.56815	0.9
61.98599	0.8
61.98838	10.5
64.62189	1.0
69.03447	3.5
69.14886	10.0
71.01385	35.5
72.99289	2.8
73.02943	8.1
81.03457	1.3
83.01387	5.1
83.05028	2.2
83.46730	1.1
85.02952	14.4
87.00877	6.3
88.14880	0.9
88.56389	0.9
89.02445	22.9
95.01369	4.5
96.96010	1.6
97.02947	3.6
97.06589	1.1
99.00887	2.3
101.02449	20.8
102.02786	1.0
105.47548	1.0
106.10639	1.1
111.08143	1.6
112.01677	1.1
113.02450	27.9
114.32220	1.0
115.04016	1.4
116.92902	1.4
119.03479	6.9
124.01640	3.7
125.02460	9.8
125.09693	1.4
143.03493	5.3
152.44479	0.9
161.04517	4.5
171.10289	10.8
175.92232	1.0
179.05600	3.5
209.11862	3.2
211.13390	4.6
215.14549	1.4
233.15475	8.0
233.95016	1.0
249.14972	6.4
251.16524	1.2
267.16055	1.6
268.16183	1.7
271.51950	1.2
382.41690	1.0
385.23831	3.9
397.13449	3.7
403.24750	7.5
421.25797	3.2
456.78024	1.1
527.89880	1.5
575.32068	1.8
593.33295	20.0
594.33582	3.1
611.34277	38.0
612.34552	6.9
629.35626	15.0
630.35431	3.7
653.35358	16.9
654.35486	3.2
671.36505	30.4
672.36707	3.5
713.37665	2.8
783.38013	16.1
784.37878	3.5
801.39142	21.2
802.38892	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	801.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.8
58.00583	3.0
59.01381	66.4
61.98831	26.7
65.03970	2.7
66.40232	1.7
68.99807	2.0
69.03435	3.3
71.01381	54.9
71.52901	2.5
71.75611	1.8
72.99315	4.8
73.02943	10.1
75.15652	1.8
79.48567	1.6
81.03460	4.0
83.01369	5.4
83.05010	7.1
85.02946	12.8
85.06580	3.2
87.00874	12.9
89.02446	34.7
93.03455	2.4
95.01392	2.7
95.05036	3.4
96.95993	2.9
97.02940	7.0
97.06536	5.4
99.00865	5.5
101.02445	30.4
107.04984	2.1
107.62326	1.9
109.06569	3.3
111.04484	1.9
111.08121	4.9
113.02449	17.2
116.92847	3.5
119.03490	7.5
119.04962	3.0
125.02445	10.5
125.09734	15.1
125.14355	2.1
131.03493	1.9
131.29863	1.7
135.04492	1.9
139.03976	2.7
143.03458	3.8
149.06065	2.3
161.04520	5.9
165.86926	1.9
168.99960	1.6
171.10269	46.4
172.10574	2.9
179.05614	8.9
185.11722	2.4
205.15927	6.8
209.11797	12.4
211.13344	12.4
215.14394	9.0
221.06583	6.3
221.15356	4.7
226.42557	2.2
231.13771	3.8
233.15434	51.8
234.15787	4.5
235.08206	4.8
249.14935	24.6
263.07776	2.4
331.26474	3.2
341.24606	5.3
367.22781	4.8
375.25430	5.1
377.27142	2.2
379.12225	2.3
385.23801	19.9
397.13483	24.8
403.24893	32.8
404.25079	4.9
415.14737	2.4
421.25790	14.6
422.26358	4.2
539.93079	2.1
611.34674	2.4
629.27441	3.0
647.29041	2.4
671.35980	2.7
702.51270	1.8
783.38019	100.0
784.38562	26.9
801.39093	88.2
802.39667	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.3
59.59230	1.0
61.98829	100.0
69.18692	9.1
71.01379	4.2
83.05029	3.4
85.02995	1.1
89.02442	2.4
95.05011	1.1
101.02434	1.7
113.02473	1.6
116.92810	1.0
120.79836	0.8
125.06087	1.2
127.11260	1.1
161.04620	1.1
163.11256	2.6
165.70982	1.0
168.64682	0.9
171.10294	1.5
201.11322	26.1
209.11816	69.1
210.12189	3.9
220.17598	1.0
225.11412	1.1
227.12906	7.5
235.08182	5.6
253.09297	10.1
254.09682	1.2
277.21710	77.5
278.22046	7.7
419.19119	0.9
437.20313	1.5
445.20688	2.3
454.03845	0.9
513.30762	3.3
697.42578	1.3
718.53461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.98831	100.0
62.98520	0.2
70.81180	0.1
70.81499	0.2
71.01408	0.1
80.96528	0.2
93.61445	0.1
101.02440	0.1
116.92865	0.7
117.92931	0.2
159.22684	0.1
165.24464	0.1
171.10313	0.2
174.17593	0.1
181.12422	0.1
185.33121	0.1
209.11819	0.3
225.11391	0.3
238.96024	0.1
277.21719	0.8
739.43042	0.5
740.42749	0.1
803.38098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.1
61.98830	100.0
62.98538	0.1
78.22720	0.1
80.96516	0.2
98.19917	0.4
130.95566	0.1
156.03755	0.1
201.11368	0.1
209.11884	0.3
277.21881	0.4
279.23367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98830	100.0
65.25206	0.2
69.23266	1.5
69.23674	0.5
71.01367	1.0
73.02951	0.4
77.71859	0.2
80.96516	0.6
83.05011	0.3
89.02457	0.7
96.04105	0.2
97.02972	0.6
97.06559	0.3
99.00873	2.0
101.02449	0.3
113.02428	0.4
125.09727	0.7
161.04599	0.3
163.11282	1.1
171.10275	0.3
181.12297	1.6
199.13405	1.5
201.11307	2.0
202.11635	0.4
207.10274	2.9
209.11810	3.9
210.12157	1.7
225.11308	4.7
226.11531	0.3
227.12883	0.4
234.87616	0.2
235.08272	0.5
240.72855	0.2
243.10051	0.4
243.12341	3.4
243.14668	0.3
244.12567	0.2
251.19841	0.2
253.09360	0.9
277.21716	5.5
278.22119	2.8
319.45715	0.3
445.21127	0.2
461.20041	0.3
479.21506	0.9
739.42755	20.3
740.43097	4.2
803.39789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
60.98417	0.2
61.98830	100.0
62.98536	0.2
71.01400	0.8
71.05028	0.4
79.82729	0.2
80.96517	1.0
83.05029	0.2
85.02944	0.2
87.00889	0.2
89.02452	0.2
91.26707	0.2
94.98116	0.2
97.02948	0.4
97.06615	0.4
98.19897	0.5
99.00874	2.3
101.02430	0.7
113.02444	0.3
123.08199	0.2
123.97565	0.1
125.09734	1.0
129.45224	0.1
131.25009	0.2
142.02719	0.2
153.12833	0.2
161.04529	0.3
163.11290	2.3
181.12350	2.6
182.12636	0.2
199.13409	0.8
201.11319	0.6
202.11684	0.3
207.10239	3.0
208.10606	0.2
209.11806	1.5
210.12134	0.6
225.00627	0.2
225.11316	3.6
226.11597	0.2
235.08197	0.4
243.12341	1.4
244.12761	0.2
253.09270	0.4
277.21707	7.1
278.22079	2.0
461.19736	0.2
479.21204	0.6
739.42706	24.7
740.43085	5.2
803.39063	0.9
819.54773	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84947	0.1
56.27765	0.1
61.98829	100.0
63.46587	0.2
66.66335	0.1
70.46664	0.4
79.66719	0.2
116.92957	0.1
134.26418	0.1
197.44560	0.1
206.33780	0.2
211.13503	0.2
236.93674	0.1
240.81831	0.2
254.24178	0.1
277.21735	0.7
278.22296	0.2
279.22604	0.2
289.18286	0.2
334.24792	0.2
739.13507	0.2
753.20953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35777	0.2
57.03160	0.3
57.03447	6.6
58.03757	0.2
59.01377	11.2
59.43529	0.2
64.69236	0.2
65.28303	0.2
71.01385	0.7
86.03710	0.2
97.06544	0.3
98.19828	0.3
109.43925	0.2
116.44499	0.2
119.08656	5.5
120.09042	0.4
121.06607	1.6
137.09720	31.1
138.10059	1.7
149.09700	1.1
151.11290	0.8
161.09714	1.7
167.14386	0.5
175.11255	0.2
177.12842	6.2
178.13167	0.4
193.12349	0.3
202.06181	0.2
219.10246	0.4
221.11829	6.1
229.01355	0.3
229.03671	0.2
239.12874	100.0
240.13200	7.5
241.13596	0.3
243.02992	0.6
257.04712	0.2
271.02509	0.5
281.13928	51.5
282.14285	4.6
285.04080	0.3
288.73721	0.2
299.02115	0.2
314.04333	1.3
315.04871	0.3
477.10297	2.8
478.10605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74533	1.2
59.01356	4.0
61.98823	1.9
71.01411	1.4
73.02930	1.9
82.02951	1.4
94.02985	10.8
94.06600	3.9
107.03763	9.5
108.04556	1.6
120.04523	1.1
122.06126	65.5
134.06122	8.7
136.04053	1.6
138.05574	3.7
139.02754	4.5
150.05586	3.4
152.07176	100.0
153.07503	4.5
180.06540	1.5
186.05585	1.4
186.94934	1.1
196.14024	1.2
200.39464	1.1
224.09560	1.3
225.10335	4.9
227.39682	1.1
229.13594	1.1
235.08733	1.5
237.10287	4.8
239.11816	1.8
241.14418	3.2
243.11987	1.2
249.10294	2.2
250.07381	5.9
251.08203	4.5
252.08987	2.9
253.09895	2.0
263.08200	4.9
264.08929	2.4
265.06335	3.4
265.09848	13.6
266.10306	4.3
266.12866	1.4
267.11383	7.3
277.09711	5.0
278.07010	15.6
278.10223	1.8
279.07639	10.3
279.11243	3.3
283.15656	1.8
291.07654	4.8
293.09335	58.1
294.09888	11.1
305.09302	8.9
306.10001	4.9
307.10959	2.6
309.12457	2.3
311.10172	1.5
323.10220	1.7
325.11536	1.2
337.08286	29.7
338.08771	5.8
345.22855	2.7
372.13290	1.6
386.11011	1.6
386.15381	2.5
388.16336	1.3
401.17514	1.8
402.14523	3.4
414.14453	2.1
416.16388	1.3
428.15897	2.6
429.16873	2.5
430.13141	6.3
431.18777	2.7
432.15598	9.1
433.15637	1.2
444.15512	5.4
457.16360	2.0
458.17184	18.1
459.18054	18.3
460.18277	2.3
462.16794	6.3
463.17300	1.3
475.17047	2.0
476.18463	1.5
490.19629	3.7
502.16162	30.7
503.16870	24.2
517.18689	2.2
518.19177	5.9
534.18610	1.5
535.19574	10.0
536.20551	1.7
549.20929	4.9
550.21936	90.8
551.22400	16.3
569.21521	1.6
597.23792	7.1
598.23804	1.8
601.23315	1.7
629.25659	4.6
630.26880	2.3
641.22113	4.0
642.23224	2.7
646.24768	2.4
661.28235	2.2
673.13562	2.4
673.25171	60.6
674.25818	52.9
675.26404	9.7
705.27777	91.7
706.28271	36.9
707.28778	3.2
739.26202	1.8
771.28766	9.5
772.29816	3.4
803.31244	8.5
804.31183	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	804.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
61.98829	100.0
62.98527	0.3
63.99259	0.2
69.15524	0.8
80.96519	0.4
88.11434	0.1
136.83801	0.1
181.89951	0.1
208.50154	0.1
209.11917	0.2
277.21765	0.3
278.22086	0.2
315.74487	0.1
804.39661	0.2
805.40521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
58.02962	3.4
59.00293	1.1
59.01358	3.2
61.98830	9.0
68.10401	1.0
70.02956	2.2
70.13285	3.7
71.01376	2.7
71.02492	2.3
73.04068	8.6
74.02458	2.9
82.02976	4.2
83.02500	4.1
84.00880	1.8
85.04069	2.9
89.02415	1.1
94.02969	1.6
95.02499	4.9
96.00909	21.1
96.96014	18.2
97.04083	1.9
98.01171	1.3
98.02473	14.5
99.02010	2.4
100.81105	1.0
101.02412	1.7
108.08188	1.2
109.04089	8.5
110.02475	29.3
110.03577	1.6
111.01965	3.2
111.02716	1.2
113.03570	42.1
115.00343	1.1
115.05106	7.1
116.92812	1.5
122.06081	1.4
123.05616	2.6
125.03522	2.1
126.09285	1.1
129.10339	12.3
130.06207	2.8
130.07771	2.4
130.08736	43.2
131.04727	1.2
135.01974	2.5
136.07690	1.8
139.08766	2.7
141.10298	7.2
143.10866	1.8
143.11902	24.3
146.06110	8.7
149.03574	2.9
151.08760	5.3
152.07118	3.3
153.03046	9.5
167.08286	2.0
167.10585	3.7
167.11871	2.9
168.09024	2.6
168.11395	14.0
169.09848	11.3
170.05748	2.3
171.04112	1.9
171.10272	1.8
172.07649	1.4
186.12488	10.2
187.10855	17.3
198.07938	1.8
199.08757	4.1
200.14050	10.8
209.06754	1.9
209.11848	1.6
210.05139	3.4
210.12474	23.1
211.10907	2.5
228.13524	9.2
236.13930	1.8
237.12335	2.0
241.13484	9.7
242.09346	1.8
244.13045	7.3
258.16080	11.1
273.17096	2.9
276.17154	4.6
280.12894	3.7
285.04031	1.4
315.18289	2.9
323.13486	1.4
324.11957	14.2
333.19305	2.0
341.10883	2.2
341.14633	26.5
342.15030	1.3
343.21048	1.6
357.19342	12.9
358.17188	2.3
375.20367	16.2
385.17542	2.0
417.17941	1.3
582.61633	1.3
586.25281	1.2
642.70636	1.2
717.35663	15.3
718.36218	1.9
761.38361	69.5
762.38556	15.2
787.39655	1.3
805.41010	100.0
806.41351	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01376	1.8
61.98835	1.8
66.80035	0.2
67.01880	0.2
69.14615	0.4
69.15029	1.4
71.01369	0.5
71.05009	0.2
83.05032	0.6
93.84294	0.2
95.05030	0.9
97.06570	0.3
101.02479	0.2
109.06596	0.7
111.08158	9.4
112.08487	0.2
113.09709	0.4
117.51159	0.2
123.08173	0.3
127.71729	0.1
130.86461	0.1
135.11787	0.2
137.09738	0.7
139.11317	0.2
149.09697	0.3
159.11748	0.2
165.12773	0.2
167.10762	2.1
177.12837	1.8
179.10756	1.5
193.12328	0.3
193.15930	0.3
195.13892	6.3
196.14220	0.4
203.14378	0.3
231.17467	0.2
247.20682	2.6
253.09250	0.6
273.18631	1.3
277.21698	5.3
278.22034	0.5
291.19641	100.0
292.19992	8.5
303.24707	0.2
367.48782	0.2
575.96313	0.2
806.40411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.98836	1.2
65.00336	1.1
70.05333	3.7
83.01360	0.9
98.19963	0.9
107.01390	2.1
109.03069	0.7
120.67206	0.8
125.02422	0.9
148.01694	1.2
149.02440	0.8
151.00392	6.5
162.05563	0.9
163.00279	1.2
164.01009	0.9
186.03186	1.5
198.03201	1.9
199.04036	1.2
214.02661	3.3
215.03490	1.6
226.02577	1.2
227.03508	3.0
228.04196	1.5
241.01379	3.5
242.02203	26.1
242.04692	1.5
243.02959	17.8
244.03333	1.9
245.00932	5.6
254.02147	1.3
255.02956	4.6
256.03665	0.9
257.04623	3.7
267.02985	1.6
268.03830	0.8
270.01697	36.9
271.02429	21.8
272.03122	2.9
283.02454	3.3
284.03204	2.1
285.04041	16.6
286.04742	4.3
298.01230	9.1
299.01929	11.1
299.05582	2.6
300.02737	30.4
301.02963	2.3
308.99927	0.9
311.05615	1.4
312.02695	4.0
313.03540	100.0
314.04227	31.2
315.05093	76.4
316.05405	7.7
327.05173	6.7
328.05688	0.9
329.06558	1.0
339.05228	1.1
342.03693	1.4
356.05377	1.5
357.06110	8.6
381.06158	2.1
501.10562	4.0
519.11426	52.9
520.11774	7.4
531.11426	1.7
545.09253	2.6
560.11761	16.2
561.12457	60.6
562.12695	10.6
575.13965	1.0
585.12372	2.2
631.46338	0.9
705.16980	2.5
765.18805	56.5
766.19263	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	809.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.98836	1.2
65.00336	1.1
70.05333	3.7
83.01360	0.9
98.19963	0.9
107.01390	2.1
109.03069	0.7
120.67206	0.8
125.02422	0.9
148.01694	1.2
149.02440	0.8
151.00392	6.5
162.05563	0.9
163.00279	1.2
164.01009	0.9
186.03186	1.5
198.03201	1.9
199.04036	1.2
214.02661	3.3
215.03490	1.6
226.02577	1.2
227.03508	3.0
228.04196	1.5
241.01379	3.5
242.02203	26.1
242.04692	1.5
243.02959	17.8
244.03333	1.9
245.00932	5.6
254.02147	1.3
255.02956	4.6
256.03665	0.9
257.04623	3.7
267.02985	1.6
268.03830	0.8
270.01697	36.9
271.02429	21.8
272.03122	2.9
283.02454	3.3
284.03204	2.1
285.04041	16.6
286.04742	4.3
298.01230	9.1
299.01929	11.1
299.05582	2.6
300.02737	30.4
301.02963	2.3
308.99927	0.9
311.05615	1.4
312.02695	4.0
313.03540	100.0
314.04227	31.2
315.05093	76.4
316.05405	7.7
327.05173	6.7
328.05688	0.9
329.06558	1.0
339.05228	1.1
342.03693	1.4
356.05377	1.5
357.06110	8.6
381.06158	2.1
501.10562	4.0
519.11426	52.9
520.11774	7.4
531.11426	1.7
545.09253	2.6
560.11761	16.2
561.12457	60.6
562.12695	10.6
575.13965	1.0
585.12372	2.2
631.46338	0.9
705.16980	2.5
765.18805	56.5
766.19263	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	809.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	13.5
63.02389	1.6
65.00309	0.9
70.45134	3.0
71.47028	0.8
72.93520	1.1
73.02924	0.9
74.62365	0.9
83.01393	1.0
90.93630	1.0
98.19992	1.1
98.37955	0.9
107.01382	2.1
151.00395	7.1
163.00334	1.4
183.46089	0.8
186.03238	1.0
189.01877	1.3
198.03180	1.6
199.04033	1.3
203.03416	0.9
211.03717	1.1
214.02655	2.8
215.03481	1.8
226.02690	1.4
227.03484	3.6
228.04257	1.3
229.01360	1.0
241.01494	2.2
241.99826	1.6
242.02194	29.1
243.02940	26.1
244.03461	2.2
245.00899	6.3
255.02844	4.7
257.04471	5.9
267.07547	0.9
270.01688	38.5
270.04611	1.9
271.02432	31.6
272.02933	4.4
283.02390	3.1
284.03455	1.0
285.04022	22.1
286.04514	3.6
287.05557	1.2
298.01273	8.4
299.01883	11.2
299.05536	3.0
299.99377	1.9
300.02719	31.6
301.03165	1.5
311.05411	1.1
312.02728	3.9
313.03528	100.0
314.04269	48.6
315.05066	74.5
315.08862	1.4
316.05359	6.4
319.06158	0.9
327.05045	3.7
329.06506	1.2
338.92810	1.1
339.05002	1.1
355.04895	0.9
356.05420	2.7
357.06152	11.7
358.06342	1.3
358.53571	1.0
378.11765	0.9
381.05881	1.1
385.26984	1.0
433.22473	0.9
477.10452	1.2
519.11395	87.7
520.11749	13.0
531.10120	1.0
545.12750	2.8
560.15112	10.0
561.16656	39.6
562.15869	6.0
585.12677	1.2
723.21887	1.2
765.22455	61.6
766.22699	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	809.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83050	70.2
61.29743	56.6
61.98827	87.5
70.98919	94.5
70.99264	100.0
71.87347	72.4
129.71840	60.4
149.50154	92.3
277.21545	69.1
674.70740	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.48
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30649	0.4
59.01165	0.4
59.01382	4.2
60.98606	0.4
61.98824	1.5
69.04585	0.3
70.25597	1.4
71.01384	3.4
72.99335	0.4
73.02950	0.7
78.95895	0.4
80.02670	0.8
80.96511	0.6
81.03452	1.1
83.01399	0.5
83.05026	4.0
83.57655	0.4
84.02169	0.4
85.02953	0.8
85.56001	0.3
87.00903	0.5
88.98800	0.8
89.02447	1.6
95.04993	0.5
101.02434	3.4
113.02433	1.0
135.08180	0.5
145.05095	0.7
147.62930	0.4
161.04550	1.4
163.11307	3.0
165.12851	1.8
179.05617	0.8
181.12314	0.5
191.10765	0.7
209.11823	100.0
210.12195	5.2
226.95432	0.4
227.12889	12.3
228.13148	0.6
235.08185	4.0
253.09312	8.6
277.21716	82.5
278.22037	6.4
316.11810	0.4
427.20087	0.4
445.20908	3.1
451.04581	0.4
489.07730	0.4
513.30621	1.3
535.77612	0.4
815.49774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.0
61.98800	1.3
63.96239	2.1
70.51679	3.3
71.01373	9.8
71.17105	1.4
71.60965	1.1
73.02917	1.7
78.98591	7.9
79.95741	14.8
80.96516	88.9
85.02953	2.8
87.00866	3.6
94.98080	19.5
96.96007	1.3
101.02435	2.8
106.98083	4.3
122.97575	3.2
123.46145	1.2
125.02412	3.7
134.97583	6.1
136.99049	1.8
148.99155	6.8
152.98608	5.4
164.98621	13.3
202.35536	1.3
206.99744	3.2
217.00349	1.5
225.00725	20.2
255.23405	3.1
277.21811	1.3
279.23340	2.0
282.55234	1.5
451.94662	1.2
548.02789	1.3
559.25610	3.4
742.53162	1.8
815.49811	100.0
816.49963	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	1.6
58.71806	1.0
59.01380	2.8
61.98831	11.2
69.18401	8.8
70.41838	0.8
71.01378	1.7
72.00903	3.9
73.04066	12.2
80.05074	1.8
85.04043	1.4
85.70505	0.9
89.02441	1.6
91.05541	1.8
97.04076	2.6
98.02496	1.6
98.20650	2.4
98.35559	0.9
111.02029	2.5
113.02454	1.7
113.07218	20.9
114.05618	2.3
115.05138	27.1
116.92845	2.6
123.51504	0.9
125.07193	1.5
127.05049	1.3
129.10355	14.1
130.08727	0.9
136.07704	1.4
139.08771	2.6
140.07137	4.0
141.10316	3.2
147.04514	15.6
151.07584	1.8
151.08733	8.7
152.07228	1.7
153.06721	5.6
153.10341	1.5
155.08247	4.3
164.07159	38.4
168.11430	8.5
169.09816	4.0
170.09334	7.5
181.09856	2.7
186.12491	8.7
195.14951	1.2
197.16389	1.1
202.07491	2.8
208.09651	3.1
209.12935	1.2
210.12459	2.5
217.13446	3.0
225.16031	3.5
226.15536	1.8
233.16562	9.9
234.16605	1.1
259.14447	3.6
265.16666	37.3
266.17197	1.5
277.15634	5.2
278.15204	1.6
280.20300	4.4
283.17688	2.4
290.18701	2.6
339.23581	1.4
387.24057	12.7
388.24457	1.8
420.26199	2.7
431.23050	11.4
438.27075	5.4
439.27594	1.3
461.23901	2.9
468.28296	3.1
534.22339	1.9
621.37421	1.1
756.42499	2.2
786.44171	14.2
787.44250	3.1
798.44177	4.1
816.45135	100.0
817.45667	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	818.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94228	0.1
61.98830	100.0
62.98543	0.2
70.65002	0.2
70.65336	0.1
71.01396	0.1
80.96533	0.2
81.85233	0.1
86.64698	0.1
209.11821	0.2
210.12190	0.1
211.23111	0.1
277.21762	0.4
278.22214	0.2
819.42102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43114	0.1
59.01368	0.1
61.98829	100.0
62.98528	0.1
71.01361	0.1
78.91887	0.3
80.91704	0.2
80.96512	0.1
116.15855	0.1
152.07182	0.1
154.27245	0.1
171.10313	0.2
221.11572	0.2
265.10501	0.8
277.21802	0.4
430.51602	0.1
483.17685	0.1
501.19205	0.2
731.37006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02400	0.9
71.51951	0.7
71.52337	0.6
83.01373	0.8
88.13217	0.6
93.03475	1.2
96.96009	1.1
99.19159	0.6
103.00410	0.8
107.01400	1.2
117.03493	1.0
122.11678	0.6
127.48445	0.5
139.04599	0.6
143.05098	0.7
151.00380	4.1
153.01926	0.6
154.04276	0.6
159.04500	1.4
163.00386	0.9
169.06615	1.0
183.04547	4.7
185.06071	1.2
187.03960	0.6
193.03136	0.6
199.04028	1.6
211.03957	5.2
213.05554	2.2
225.05443	0.7
227.03493	24.5
227.05756	1.3
228.03902	2.3
229.05177	0.8
237.01303	0.6
239.03387	2.5
240.04027	0.9
241.05086	4.7
243.02966	0.7
243.12405	0.8
253.05038	1.3
255.02979	76.2
256.03415	8.4
257.04538	1.5
268.03705	1.7
269.04456	3.4
270.05167	0.7
281.04550	2.6
283.02469	100.0
284.03146	33.6
285.04031	77.5
286.04404	6.3
297.04068	12.2
298.04419	1.4
299.05426	0.7
309.04065	1.4
326.04294	2.2
327.05084	6.3
328.05399	0.7
350.04318	1.0
351.04980	0.9
471.09421	2.7
473.10611	0.7
489.10364	38.7
490.10632	4.7
495.93649	0.7
501.10269	3.0
503.12433	0.9
530.10626	14.0
531.11395	41.3
532.11713	5.5
555.11530	0.7
675.16156	0.8
693.16827	3.6
735.17725	57.8
736.18103	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	823.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10835	0.6
59.01370	2.0
61.98833	8.9
62.75180	0.5
69.73724	2.8
71.01377	1.1
73.02932	0.8
80.05054	3.6
83.01378	1.3
87.74583	0.6
89.02434	0.9
93.03461	0.9
94.02978	1.3
96.95988	2.2
98.19901	1.0
103.00338	0.8
104.05043	1.9
105.18928	0.6
106.06611	1.0
108.04589	0.8
108.08207	4.1
113.02457	0.7
116.92870	1.9
121.02956	6.8
121.05298	1.8
122.06116	1.1
124.04004	0.7
130.06613	1.2
132.04536	2.5
134.06093	1.3
136.07681	45.0
137.08005	1.6
148.04054	0.9
149.06117	0.7
152.03548	1.3
153.04259	1.7
158.06105	0.8
160.04028	1.8
162.05522	1.2
163.03976	0.7
165.01932	20.8
166.02142	0.7
174.05591	1.7
187.05006	0.7
190.05113	1.0
191.05550	0.8
198.05484	0.8
200.07176	1.3
209.11928	1.2
216.25079	0.6
224.07309	1.3
228.06642	0.7
229.13417	1.7
239.05853	0.6
240.10300	0.7
241.07407	0.8
242.08347	0.8
249.10431	0.7
253.09749	0.9
255.11461	0.7
265.09802	1.0
267.11295	0.9
270.07706	0.9
276.10217	1.2
279.11414	1.2
281.12921	1.1
282.07779	0.8
291.11380	1.9
292.12811	0.6
305.09518	0.9
305.12787	1.4
307.14505	0.7
309.12521	1.3
315.11612	1.0
317.09433	1.0
319.10788	1.0
331.10751	1.1
331.14444	0.9
333.12506	3.1
335.13876	0.8
342.12491	0.7
343.10562	1.0
347.10342	0.8
347.14236	0.7
357.12387	0.7
359.13992	1.1
375.13596	1.6
377.15106	1.6
379.12985	5.0
387.13809	0.9
396.11087	0.9
397.11588	0.9
421.14008	6.4
439.14801	1.6
441.10956	4.0
452.16037	1.3
453.10861	2.3
478.13892	0.8
494.17099	1.9
506.17383	0.8
558.68774	0.7
562.20288	0.8
590.19409	5.8
591.20258	0.7
634.18231	3.8
635.18573	1.4
643.25378	1.9
644.24316	0.8
666.21246	6.2
667.22272	1.4
685.26581	1.4
687.24445	2.5
703.27429	1.1
719.26727	1.9
729.25916	1.8
747.26605	4.3
761.28546	1.3
779.29706	3.1
791.25842	1.2
823.28253	100.0
824.28589	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.0
61.98831	9.8
69.60956	2.8
71.01379	1.1
78.56313	0.5
80.05071	4.2
83.01402	0.6
93.03444	0.9
94.02943	0.9
96.96008	1.5
104.05051	2.1
106.06671	0.6
108.04531	0.7
108.08175	3.1
109.02979	0.6
116.92857	1.3
121.02952	5.8
121.05327	1.5
122.06140	0.7
132.04510	2.3
134.06117	1.1
136.04045	0.8
136.07678	43.2
136.52707	0.6
137.08003	1.0
138.56924	0.5
145.89018	0.5
148.03975	1.5
152.03542	0.7
153.04247	1.2
160.04054	1.0
160.07578	0.7
161.04713	0.8
162.05682	0.9
165.01917	16.0
166.02168	0.7
174.05568	2.4
186.05531	0.8
190.05008	0.9
198.05457	0.6
200.07121	0.9
224.07115	0.8
225.10275	0.6
228.06671	1.1
229.13385	1.0
237.10600	0.6
239.11777	0.8
242.08194	0.7
251.08194	0.8
253.09828	1.4
265.09756	1.3
267.11331	1.6
275.08496	0.6
275.11914	0.7
276.10120	0.8
277.10138	0.6
279.11334	1.9
281.12805	0.7
282.07645	1.2
289.09998	0.6
290.11600	0.6
291.11392	1.2
292.12738	0.5
293.12918	1.2
297.12399	0.9
301.09830	0.6
303.11221	1.0
305.09305	0.7
305.12793	1.0
306.07620	0.6
307.10776	0.9
307.14166	0.7
309.12332	1.0
315.11267	0.6
316.12259	0.7
319.11066	0.7
325.11929	0.7
331.10730	0.7
333.12265	2.5
333.15796	0.7
335.13889	1.3
337.11862	0.8
343.10828	1.3
345.08521	0.8
345.12369	1.0
347.13956	1.1
348.15219	0.8
357.12463	0.7
359.13873	1.3
361.12024	0.9
369.12305	0.8
375.13336	0.7
375.27322	0.6
377.11105	0.8
377.15286	0.7
379.12961	5.0
384.09625	0.6
387.13425	0.8
392.13876	0.8
397.11682	1.1
399.13522	0.7
403.12872	0.8
405.10690	0.7
414.13577	0.6
421.14066	7.4
422.14496	1.3
439.14981	1.9
441.10654	4.0
448.03024	0.7
452.15884	1.0
453.11154	3.2
478.13763	0.7
483.13812	1.0
494.17114	1.6
495.17688	0.7
506.16977	0.6
536.18506	0.6
562.19940	1.3
590.19366	5.8
591.19495	1.1
634.18146	5.0
635.18646	1.1
643.25708	1.8
666.20728	5.8
667.21399	1.7
685.27258	0.9
687.24121	1.8
703.27643	1.4
719.26910	1.1
729.25427	1.6
747.26447	2.6
748.26312	0.8
763.26355	0.7
779.28619	2.6
780.30249	1.3
791.29999	1.1
823.28241	100.0
824.28583	27.7
825.92889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.3
61.98829	12.9
69.03455	1.7
70.11841	0.8
71.01378	1.2
71.04989	1.1
78.95892	6.9
80.02668	1.2
81.03461	6.3
83.01393	9.5
83.05013	5.2
95.01435	0.9
95.05034	3.6
96.65842	0.8
97.02934	5.9
97.06592	7.8
109.06586	2.4
110.03761	1.0
111.08162	1.0
116.92879	1.0
119.04948	1.0
119.08670	1.1
121.06600	1.8
123.04546	7.1
123.08174	3.7
125.09732	15.4
135.08185	3.2
137.06055	1.4
137.09735	8.4
141.12878	2.1
142.02708	1.0
147.11804	0.9
149.06078	2.7
152.99593	2.6
154.21573	0.9
161.09750	1.1
163.07629	1.2
163.11281	13.3
165.09180	0.9
165.12856	3.3
167.10789	2.5
168.04453	1.3
177.12953	1.3
179.10747	1.6
181.12375	2.6
185.11803	15.0
191.10782	4.6
191.14400	13.9
197.11829	1.1
207.10260	9.1
208.10599	1.1
209.11818	73.7
210.12131	3.6
211.13364	1.2
217.15990	2.2
225.11301	7.8
242.08018	3.3
245.19077	28.3
246.19383	1.5
263.20212	2.1
271.16913	2.4
277.21707	87.0
278.22031	9.0
289.14694	2.0
289.18091	89.6
290.18414	8.2
307.19138	100.0
308.19547	9.1
327.05280	1.0
502.29410	42.4
503.29465	6.3
844.15100	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.69386	0.3
61.98830	3.4
65.00323	0.3
69.25532	0.7
69.25946	1.8
71.01381	0.6
80.05040	0.4
91.01856	0.3
93.03461	2.7
94.02965	0.4
94.37035	0.3
95.01405	0.3
96.18516	0.3
96.96030	0.6
105.62663	0.3
108.08189	0.9
109.03007	0.3
116.92815	0.7
119.01420	0.4
119.05038	0.4
121.02965	17.1
121.05322	0.9
122.03320	0.5
130.81529	0.3
132.04559	0.3
133.02956	0.3
134.03758	0.8
134.04727	0.4
134.06133	0.3
136.07687	18.6
137.08017	0.9
138.05540	0.3
149.06049	0.7
150.04073	0.3
153.04318	0.5
163.00388	2.3
165.01933	100.0
166.02249	3.6
171.10280	0.3
177.01932	1.2
191.03546	0.3
212.10780	0.3
235.08870	0.3
237.10365	0.7
240.10289	1.1
250.07518	1.2
256.09738	0.3
262.07474	0.3
265.09808	3.4
265.12573	0.5
277.09793	1.3
279.11432	0.9
284.09195	0.4
297.12680	0.3
371.13968	0.4
386.19009	0.4
399.13303	1.0
411.13318	0.5
414.18204	1.7
440.15860	0.6
446.20596	0.4
453.25974	0.3
458.17090	1.5
490.20105	0.6
520.22955	0.4
527.46655	0.3
548.21777	0.8
549.21899	0.4
592.20782	4.0
593.21167	0.4
636.19781	21.7
637.20032	3.6
668.22485	38.9
669.22772	7.9
811.97748	0.4
825.28308	5.4
826.28400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	18.3
66.03476	0.4
66.23335	0.4
67.01894	1.6
70.68198	0.6
70.68513	1.0
71.01385	2.4
72.99316	0.5
73.02946	2.4
75.03708	0.5
81.03464	0.5
82.02987	0.7
82.79574	0.4
83.01382	3.3
85.57722	0.4
86.55848	0.5
87.04559	0.7
91.43270	0.4
94.02987	18.1
95.05042	0.5
101.00218	0.5
101.02464	2.3
109.06526	0.7
119.08659	6.4
121.06557	2.0
125.02476	0.8
127.07544	0.7
137.09715	37.2
138.10042	1.9
139.11298	3.7
149.09735	1.1
151.11298	1.5
161.09734	1.4
169.12299	1.2
175.11296	0.8
177.12848	7.2
181.12335	1.6
183.10260	7.3
193.12381	0.7
195.13811	0.5
197.11856	1.0
206.15826	0.5
219.10283	0.8
221.11874	4.6
225.11365	6.2
226.11642	0.6
239.12881	100.0
240.13223	7.1
243.12376	3.5
267.12500	0.9
281.13931	40.0
282.14291	3.2
291.12500	1.1
327.14517	0.8
387.16577	2.2
469.16843	0.5
470.20267	3.8
482.20294	12.9
483.20740	1.5
500.21365	69.8
501.21695	8.1
505.74750	0.5
517.53607	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82386	0.2
59.01378	10.8
62.92552	0.2
65.73707	0.2
71.01387	1.0
71.52583	0.3
72.99284	0.2
79.05556	0.2
81.03452	0.3
91.71620	0.2
106.59167	0.2
106.60429	0.2
119.08668	5.9
120.08942	0.3
121.06566	1.3
123.08213	0.2
137.09720	32.2
138.10069	1.2
149.09735	0.8
151.11258	0.6
161.09734	1.7
167.14374	0.6
175.11234	0.2
177.12830	6.3
178.10025	0.2
178.13142	0.3
184.60667	0.2
193.12355	0.4
219.10234	0.3
221.11824	5.4
222.12300	0.3
239.12880	100.0
240.13205	6.7
281.13937	58.1
282.14307	3.8
611.01398	0.2
827.29480	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	30.1
60.01714	0.2
64.70154	0.1
71.01382	0.3
73.02952	0.1
83.05035	0.2
85.06590	12.5
86.06924	0.2
113.06088	11.3
114.06413	0.3
115.00331	0.2
116.43504	0.1
119.57363	0.2
129.05605	0.2
130.08707	0.2
131.07140	100.0
132.07480	2.6
133.01448	0.3
134.03722	0.5
145.02968	0.2
164.67445	0.1
173.08183	43.1
174.08531	1.6
193.05075	0.6
217.07172	0.2
232.86386	0.1
302.17542	0.9
326.70551	0.1
331.36432	0.1
436.44629	0.1
460.29532	0.1
592.12915	0.1
642.42664	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	31.0
60.01719	0.2
64.70390	0.1
69.21212	1.0
71.09445	0.1
79.00324	0.1
85.06587	12.6
86.06919	0.2
101.02467	0.1
113.06087	11.4
114.06406	0.3
115.00338	0.2
129.05635	0.2
131.07138	100.0
132.00049	0.1
132.07466	2.8
133.01434	0.4
134.03709	0.5
173.08179	40.7
174.08542	1.6
193.05090	0.8
194.05453	0.2
195.70279	0.1
212.56435	0.1
217.07210	0.2
271.86243	0.1
302.17615	1.0
329.76804	0.1
385.10712	0.2
566.72900	0.1
582.06732	0.1
625.91833	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	830.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.3
66.03494	0.5
67.01888	3.1
71.01405	3.2
73.02950	5.9
77.22075	0.5
82.02969	1.6
83.01377	6.4
83.05013	0.9
85.02943	0.9
87.04501	1.2
94.02988	33.3
95.03320	0.7
97.02959	0.6
97.06582	1.1
97.92239	0.5
101.02457	3.2
109.06572	0.8
133.05841	0.5
139.11287	8.1
140.11685	0.5
151.11281	0.9
155.77773	0.5
165.09224	0.8
167.10779	0.9
169.12373	2.7
179.10783	1.5
179.14406	0.8
181.12364	3.2
183.10257	14.4
184.10603	0.8
195.13991	0.6
197.11844	2.4
197.15456	3.9
207.10376	0.7
225.11320	10.7
225.14851	2.3
226.11688	0.6
229.23077	0.5
230.85277	0.5
231.10194	1.0
239.12932	0.7
241.14633	0.5
243.12358	7.1
243.15993	14.2
244.16324	0.9
249.11319	1.2
267.12354	1.2
283.55362	0.6
285.13986	0.6
285.17053	3.1
291.12350	0.9
301.34821	0.5
309.13370	0.8
327.14471	2.6
387.16727	3.5
423.39105	0.5
470.20398	4.4
482.20270	17.4
483.20450	1.9
500.21350	100.0
501.21741	12.0
535.61737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.3
61.88638	0.1
62.29662	0.1
69.21654	0.3
69.22072	0.6
72.99310	0.1
83.05020	0.8
85.06602	0.3
89.02465	0.2
97.06598	0.6
99.96797	0.1
101.02422	0.2
123.08189	0.2
125.83596	0.1
137.09720	0.1
138.12239	0.1
139.11281	0.7
149.04562	0.2
149.47127	0.1
163.11304	0.9
165.12830	0.3
167.14482	0.2
179.14407	1.7
180.14676	0.2
181.12367	0.3
195.13876	0.7
197.15465	16.2
198.15782	0.8
225.14952	18.5
226.15381	1.1
241.14520	0.2
243.15991	100.0
244.16324	5.4
285.17056	59.3
286.17398	4.5
286.20627	0.2
504.63568	0.1
628.02032	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	835.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.9
61.98829	1.4
63.02401	4.7
63.29848	0.5
65.00314	3.0
67.34519	0.5
69.33090	4.3
71.01387	4.6
72.99319	0.7
73.02948	2.8
74.02469	0.6
83.01387	5.7
85.02943	2.4
89.02444	1.8
93.03473	1.1
94.02945	0.6
95.01369	1.2
96.96022	3.7
99.00888	0.8
101.02433	3.2
103.00365	0.7
107.01385	10.5
109.02982	0.6
109.06556	0.6
113.02477	1.9
117.03484	1.5
118.35719	0.5
119.05035	4.6
119.35275	0.5
121.02957	0.7
122.06112	0.6
123.04544	0.8
125.02534	0.7
128.03477	0.7
139.11310	4.0
145.02945	3.8
145.05087	0.8
147.12827	0.5
151.00372	21.2
151.01591	1.2
152.00603	0.8
161.04527	0.6
163.00377	2.4
163.03983	2.7
164.01120	1.5
165.09157	0.9
169.01389	3.0
169.06564	1.0
169.12364	1.0
171.04585	0.7
175.02496	0.6
181.12352	1.0
183.10263	4.5
185.06041	1.7
187.04010	1.3
189.05661	0.6
195.04550	0.6
197.06024	0.6
197.11707	0.6
199.04021	0.9
209.11766	1.7
211.03960	1.4
213.05553	2.2
215.03564	0.6
225.11275	4.6
227.03499	11.7
227.12833	0.6
228.03961	1.2
229.05067	7.9
239.03581	0.8
240.04279	0.6
241.04982	1.7
243.12335	4.9
255.02986	30.9
256.03589	4.2
257.04553	10.7
283.02548	4.1
283.99936	1.0
284.03250	49.0
285.04028	100.0
286.04346	7.5
291.12427	0.7
302.17664	8.1
306.07700	2.0
327.05145	1.0
327.14487	1.4
358.19690	0.5
363.19809	0.7
371.12564	0.7
387.16684	6.2
388.17078	0.6
417.24887	4.6
431.18710	0.6
447.09311	33.5
448.09744	2.5
533.22504	2.0
611.37524	0.7
613.19257	1.5
655.20313	2.0
673.21301	33.0
674.21643	5.9
739.75360	0.7
835.26422	15.4
836.26855	2.9
836.40918	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	835.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
62.86328	0.2
63.02393	0.3
65.00311	0.5
69.34647	1.4
69.35033	0.3
73.02953	0.9
83.01386	1.8
90.85845	0.2
93.03448	0.6
94.87301	0.2
101.02441	0.7
102.34007	0.2
107.01382	0.9
125.02428	0.8
135.00888	0.2
139.11288	1.1
143.05016	0.3
151.00357	2.9
153.01933	0.4
159.04456	0.2
163.00342	0.4
169.06647	0.2
169.12300	0.3
171.04485	0.2
174.03210	0.6
175.03998	0.3
178.99820	0.5
179.10892	0.2
181.12354	0.2
182.22470	0.2
183.04478	0.4
183.10246	2.3
185.06114	0.4
187.04001	0.3
189.05531	0.2
197.11819	0.3
211.04018	0.3
213.05548	0.2
225.11345	2.5
227.03485	32.6
228.03885	2.3
229.04945	0.4
239.03473	0.7
241.05048	0.4
243.02998	0.3
243.12352	3.7
243.14648	0.3
244.12608	0.4
249.11234	0.3
255.02979	45.2
256.03589	7.0
257.04483	0.6
267.12299	0.3
269.04489	0.4
283.02493	2.0
284.03253	48.8
285.04001	45.9
285.13330	0.6
286.04349	3.1
291.12427	0.5
297.04010	0.3
299.05676	0.5
309.13388	0.4
327.05142	1.7
327.14526	2.3
328.14142	0.2
357.06152	0.2
387.16583	11.6
388.17032	1.1
410.66571	0.2
447.09290	100.0
448.09598	11.6
613.19208	0.4
673.21240	3.8
674.21655	0.6
712.65356	0.2
821.05457	0.2
835.26550	2.0
836.27399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.3
60.01714	0.5
61.98829	0.7
69.47436	1.1
69.47845	2.5
71.01382	8.8
73.02943	15.3
81.03462	1.3
83.01385	3.0
83.05003	1.5
85.02946	6.9
87.00879	1.0
87.04490	0.8
89.02444	1.0
95.05031	0.8
99.00884	1.9
99.04502	2.0
101.02453	5.5
108.02185	0.5
109.02943	1.8
113.02464	1.2
113.56458	0.5
117.03466	24.2
118.04273	0.9
119.05025	55.8
119.97815	0.5
120.05368	2.0
121.02948	8.6
123.04546	4.1
125.02406	0.8
127.04001	5.9
133.02930	2.7
134.03772	1.1
137.09692	0.6
139.11290	13.9
145.02956	39.5
145.04959	7.5
146.03293	2.1
151.00374	1.5
162.03189	3.6
163.04004	26.3
163.11304	0.6
165.09187	1.7
169.12338	2.4
179.10760	2.4
181.12294	5.0
183.10252	15.2
184.10620	0.7
195.13884	1.2
197.11829	1.9
225.11314	14.4
225.13536	0.7
226.11842	0.7
243.12354	8.7
255.02985	1.7
256.03345	0.6
267.12390	0.9
284.03204	2.1
285.03931	5.1
285.13425	1.8
286.04306	2.5
287.05051	0.6
302.17593	94.0
303.17963	9.4
387.16708	0.6
447.09149	1.6
448.09369	1.1
473.20340	0.9
515.21191	1.1
533.22357	14.9
534.22791	1.0
673.21967	0.7
674.21680	1.4
734.07123	0.7
818.39813	0.9
836.40698	100.0
837.41040	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	836.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.8
61.98835	1.4
69.03459	0.7
69.51814	1.8
69.52227	1.1
71.01381	11.3
73.02946	16.1
73.54913	0.5
74.02491	0.7
75.00881	0.7
79.67426	0.6
81.03468	1.2
83.01397	2.9
83.05047	1.5
85.02952	8.0
87.00879	0.9
87.04515	0.8
89.02451	1.2
96.96002	1.2
97.02946	0.7
97.06606	0.6
99.00879	1.7
99.04530	2.1
101.02437	6.1
103.00404	0.5
108.02121	0.7
109.02958	1.8
113.02482	1.5
114.94298	0.5
117.03466	21.3
117.88258	0.5
118.04327	0.7
119.05030	48.8
120.05392	1.9
121.02958	9.8
123.04548	3.2
125.02503	0.6
125.06189	0.6
127.04009	6.9
127.92693	0.5
128.03563	0.6
133.02962	2.2
134.03697	1.5
137.09698	0.7
139.07651	0.8
139.11298	11.3
143.04649	0.9
145.02959	36.4
145.05019	9.4
146.03290	1.2
149.06044	0.5
151.11244	1.2
152.07124	0.7
161.04613	0.5
162.03265	3.4
163.04012	26.5
163.11308	1.5
164.04398	0.6
165.09178	1.0
166.02466	0.5
169.12332	2.6
175.02278	0.5
179.10777	2.0
180.41864	0.6
181.12354	4.3
183.10252	15.1
184.10548	1.0
195.13870	0.6
197.11845	2.2
199.13367	0.7
225.11310	12.9
226.11761	0.6
239.12915	0.9
243.12349	8.2
244.12839	0.7
267.12427	0.8
285.04016	1.9
285.13370	2.9
299.01956	1.3
302.17618	97.7
303.17972	7.2
306.07660	3.9
447.09204	1.0
515.21161	1.5
533.22388	30.4
534.23132	2.6
634.27411	0.5
793.21942	0.8
836.40729	100.0
837.41071	19.8
844.90326	0.5
858.62299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.6
61.49644	0.6
61.68090	0.5
61.98834	1.6
67.08774	0.7
71.01385	11.1
71.05025	0.6
71.35131	0.7
71.51862	0.8
71.52225	0.7
73.02949	17.6
73.43041	0.6
77.87950	0.6
81.03468	1.5
83.01387	2.2
83.05022	1.7
85.02950	6.8
87.00856	0.8
87.04518	1.1
89.02451	1.1
95.01399	0.7
96.96008	1.7
97.02945	1.1
99.00879	2.1
99.04523	1.4
101.02438	5.6
109.02953	2.2
109.06576	0.8
112.93497	0.5
113.02464	0.9
117.03470	26.4
117.65595	0.7
117.88203	0.6
118.04308	1.3
119.05029	61.4
120.05360	1.7
120.66121	0.5
121.02953	11.5
123.04539	3.2
125.02459	0.9
127.04003	5.3
132.86635	0.8
133.02971	2.7
134.03658	1.1
139.11302	13.8
145.02953	40.7
145.05003	8.7
146.03304	1.6
147.04518	1.7
148.05302	61.6
149.05626	19.1
151.11279	1.3
162.03262	3.4
163.04008	26.7
163.07643	57.7
164.04327	0.8
164.07973	19.7
165.09331	0.9
169.12349	2.5
179.10724	2.0
181.12355	5.9
183.10252	14.8
195.13939	1.1
197.11867	2.0
225.11310	12.9
227.12892	0.8
239.12900	0.7
243.12318	7.9
255.02933	0.7
267.12265	0.9
284.16458	0.7
285.13452	2.5
302.17603	94.0
303.17960	7.9
332.92972	0.6
405.17377	0.8
423.22281	0.8
424.22711	1.3
473.20187	1.2
515.21484	1.6
516.21179	0.7
533.22443	15.9
534.22485	1.6
681.99847	0.7
759.79120	0.6
818.39746	1.9
836.40698	100.0
837.41132	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	5.3
61.64851	1.4
61.98829	48.8
63.27155	1.3
65.37483	1.3
69.78071	1.3
71.01371	1.9
71.14688	1.6
71.15053	1.7
77.09027	1.3
84.02180	12.1
84.04531	8.7
94.02967	4.9
95.05034	13.1
96.96008	1.4
97.01695	4.6
97.02949	3.7
97.06578	14.4
98.02486	6.3
98.06929	1.5
101.02443	2.5
107.05029	67.9
109.81463	1.4
110.02460	1.8
110.03720	3.5
111.08173	2.8
112.04047	52.6
113.02496	1.4
122.06120	22.0
123.04538	10.1
124.04033	1.9
125.06084	33.4
140.07156	2.7
150.05608	54.7
151.03996	21.8
161.04527	2.5
168.06659	70.3
169.06978	2.9
169.12439	1.6
171.10268	100.0
172.10597	3.2
181.12340	1.8
197.11826	13.1
209.11876	1.8
211.13335	3.7
235.08229	3.4
253.09241	7.9
277.21722	54.2
278.22107	4.5
291.19675	8.7
309.20679	24.5
310.98358	1.8
407.19205	6.3
513.30804	2.1
835.08435	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	836.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.6
61.98830	26.9
71.01370	3.6
75.13395	1.2
76.99683	1.2
80.02632	1.5
81.03452	2.7
83.05001	1.4
84.02165	14.9
84.04546	12.6
84.22559	1.1
87.00913	1.4
89.02460	2.2
94.03001	7.4
95.01334	1.6
95.05021	19.5
96.00912	2.3
96.95985	1.7
97.01688	5.4
97.02930	4.3
97.06590	19.0
98.02483	8.4
98.16543	1.2
101.02453	2.9
107.05031	94.0
108.02161	1.5
108.05339	3.1
110.02451	3.7
110.03723	4.4
111.08167	1.5
112.04052	68.5
113.02348	1.4
122.06131	23.6
123.04507	14.7
125.06083	41.9
125.09782	1.6
127.11274	1.7
138.05611	1.4
140.07156	3.5
150.05609	74.1
151.04010	29.1
151.05887	2.6
151.21281	1.5
161.04512	1.6
168.06660	87.6
169.07014	2.5
171.10263	100.0
172.10623	3.8
197.11792	6.4
211.13417	2.8
235.08151	3.0
253.09293	9.8
277.21713	88.5
278.22046	9.5
289.18137	2.6
291.19598	2.6
304.15680	1.7
309.20691	10.8
321.00598	1.4
407.19113	4.9
452.40219	1.3
513.30945	3.0
692.28296	1.7
747.87317	1.4
757.11731	1.5
827.38568	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	836.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.2
61.98828	2.9
69.22371	2.6
71.01386	4.7
72.99298	0.4
73.02932	0.7
83.01431	0.5
83.05006	0.4
84.02176	1.3
84.04533	0.9
84.58613	0.3
85.02945	1.2
87.00887	0.8
89.02454	3.5
94.02975	0.5
95.03788	1.7
95.05032	1.8
96.04549	1.2
97.01672	0.5
97.02935	0.5
97.06581	1.3
98.02493	0.7
101.02447	3.2
107.05035	6.9
108.05364	0.4
112.04052	6.7
113.02455	2.0
113.06075	0.5
119.03492	1.2
122.06117	4.2
123.04507	1.0
124.07678	0.9
125.06097	3.2
135.06918	2.3
136.07666	0.7
150.05598	4.9
151.04005	2.6
155.10738	2.1
161.04555	1.2
168.06656	6.7
171.10266	8.3
179.05646	2.0
181.12276	0.4
182.13066	0.4
183.13846	0.3
197.11880	0.4
211.13297	0.4
214.12109	0.8
216.17467	1.0
217.15948	0.7
234.18645	2.1
235.08220	1.4
235.17075	0.9
242.15591	0.4
251.16631	0.6
253.09297	5.4
254.09644	0.3
260.16507	3.7
261.14984	0.5
265.78772	0.3
275.20044	0.4
277.18585	0.7
277.21716	38.1
278.17603	100.0
279.18097	6.6
291.91736	0.4
296.18588	1.4
309.20663	0.7
310.20859	0.3
413.16864	0.4
496.25482	6.4
497.25638	0.5
513.30408	0.7
514.26520	12.1
515.26727	1.5
774.47998	3.9
775.48480	0.9
818.47009	2.7
836.47998	22.8
837.48492	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	836.48
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.2
61.98828	10.0
68.10022	0.4
71.01378	5.9
73.02948	1.9
83.01385	0.7
83.05019	0.5
84.02169	1.6
84.04572	0.9
85.02948	2.4
85.85830	0.4
86.24377	0.5
87.00877	1.6
89.02442	3.5
90.58223	0.4
94.02973	0.4
94.98006	0.5
95.01389	0.5
95.03750	2.2
95.05021	1.2
96.04572	1.3
96.96001	2.6
97.02944	0.6
97.06592	1.0
98.02477	0.8
99.00891	0.6
101.02438	6.5
107.05036	5.1
110.03757	0.5
112.04043	4.2
113.02459	3.1
119.03532	0.6
122.06123	3.6
124.07677	1.2
125.06104	2.1
133.05028	0.6
135.06889	2.5
136.07663	0.7
143.03563	0.4
143.19089	0.4
145.05090	1.5
150.05602	3.9
151.04018	1.8
155.10780	1.9
161.04559	2.3
168.06647	3.8
169.05077	1.6
171.10228	3.4
179.05614	1.0
182.13057	0.6
201.11343	0.8
214.12097	1.1
216.17551	1.3
218.15402	0.5
233.22810	0.7
234.18594	1.7
235.08220	9.1
235.17006	1.3
253.09320	8.3
254.09425	0.5
260.16537	4.3
277.21707	87.7
278.17599	100.0
278.21960	7.6
279.18076	6.8
296.18454	1.0
309.20496	0.6
310.20914	0.5
496.25516	9.9
497.25919	1.3
513.30518	2.4
514.26392	7.0
515.26624	0.9
576.26080	0.6
741.41266	0.6
774.47784	5.8
775.47955	1.9
818.47009	3.1
819.47235	1.0
836.47894	32.8
837.48230	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	836.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98523	0.2
69.78632	0.2
69.79029	0.1
125.24700	0.1
135.63658	0.1
156.50307	0.1
248.04602	0.1
249.33534	0.1
270.18372	0.1
311.81165	0.1
320.62067	0.1
340.07172	0.1
467.53354	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.7
66.03493	0.4
84.04541	1.3
86.93552	0.1
94.03001	0.4
95.03747	0.3
96.04545	0.2
96.95985	0.2
97.01700	0.3
98.20674	0.2
110.02464	0.3
112.04047	17.6
113.04402	0.4
121.05338	0.2
122.06100	0.2
135.06903	16.9
136.07756	0.8
137.09720	0.4
139.11287	0.6
149.08395	0.6
162.09251	0.2
164.10796	100.0
165.11160	4.0
166.08711	0.3
182.10187	0.2
182.11859	3.8
183.12131	0.2
208.09760	0.8
210.67244	0.1
226.10838	25.4
227.11191	1.0
302.17493	0.3
345.32227	0.1
554.06177	0.1
619.27466	0.1
844.50806	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.448
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51510	0.1
59.01379	16.9
71.01406	0.3
71.52038	0.2
73.02920	0.2
83.05016	0.8
85.06582	0.3
92.59937	0.1
95.14147	0.1
96.96030	0.2
97.06607	0.6
101.02457	1.5
125.02413	0.2
137.09744	0.2
139.11302	1.2
163.11285	0.9
165.12799	0.3
179.14384	1.8
181.12387	0.8
183.10252	0.6
195.13905	0.6
197.15468	16.5
198.15837	0.7
222.64999	0.2
225.14949	16.9
226.15370	1.0
227.65366	0.1
243.15994	100.0
244.16324	5.8
285.17062	59.9
286.14420	0.3
286.17398	4.4
327.14456	1.6
345.15488	0.3
405.17627	2.0
477.10684	0.2
509.91541	0.2
826.19000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98532	0.1
69.78242	0.1
70.22207	0.1
70.67873	0.3
71.69797	0.1
72.36279	0.1
73.85322	0.1
93.67893	0.1
139.29779	0.1
145.85370	0.1
152.70566	0.1
181.33257	0.1
185.00481	0.1
232.34303	0.1
393.07111	0.1
722.51746	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	839.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.7
60.46758	0.9
61.98835	1.6
67.45156	1.0
70.41325	3.1
82.68801	0.9
104.98988	1.0
136.98781	1.5
148.98802	1.2
149.99611	1.9
151.00302	1.2
164.98257	3.2
165.01981	1.4
165.98984	1.6
169.02901	2.6
171.04608	1.5
172.01561	1.2
178.99908	2.1
184.05289	1.4
184.45834	1.2
184.98987	0.9
185.02417	2.3
185.40588	1.2
186.03238	7.1
186.66428	1.0
187.04025	1.7
189.01764	1.0
197.02403	3.9
198.03139	1.4
201.01930	2.0
202.02766	5.6
212.04692	2.0
213.01950	8.0
213.05241	1.2
214.02649	4.2
217.01439	1.1
226.02638	1.8
227.03436	2.8
228.04227	2.1
229.01341	4.5
229.05063	1.0
230.02141	7.0
231.02713	1.1
232.34410	1.1
234.01680	1.1
241.01468	9.0
242.02115	2.9
243.02892	4.6
245.04463	2.3
255.03012	7.4
256.03769	3.6
257.00967	14.2
258.01660	16.6
259.02319	2.3
269.00940	6.7
270.01709	2.6
271.02505	9.0
272.03104	1.9
273.04016	2.1
274.04642	1.3
283.02493	3.0
284.03226	2.3
285.00430	26.2
285.03616	2.1
286.01202	38.4
287.01682	4.5
299.01981	7.0
300.02737	9.6
301.03510	37.1
302.04010	4.8
312.99908	27.9
313.03494	1.9
314.00656	6.8
314.03995	1.9
315.01428	3.2
327.01321	3.3
328.02228	72.4
329.02979	80.2
330.03738	39.6
331.04361	2.9
342.03787	2.6
343.04565	100.0
344.05145	14.1
345.06143	45.2
346.06390	3.4
357.06302	1.4
372.04492	1.6
386.06165	1.6
387.07236	13.7
388.07474	1.6
531.11285	3.4
549.12469	61.1
550.12854	9.1
561.12366	1.7
568.16351	1.1
575.10516	2.6
576.10852	7.0
590.12750	23.3
591.13525	90.5
592.13782	12.8
795.19806	81.0
796.20099	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	839.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46467	0.7
59.01365	2.4
61.98808	2.4
62.82159	0.6
65.30478	0.6
71.01362	1.7
80.05036	2.5
83.01387	1.5
87.40778	0.6
89.02493	0.7
93.03481	1.1
94.02956	1.9
94.06590	1.8
96.65774	0.7
97.29042	0.6
101.02420	0.8
102.98602	0.8
103.00334	0.9
104.05054	2.1
106.06600	1.5
107.03798	3.7
120.78325	0.7
121.02953	5.7
122.06122	19.2
124.04020	0.9
124.07626	0.8
125.02356	1.1
132.04550	1.1
134.06133	4.3
139.02769	1.1
146.06148	0.7
148.03992	1.2
150.05550	1.0
151.00342	0.7
152.07170	26.1
160.04016	1.1
161.62852	0.7
162.05562	1.0
165.00551	1.5
165.01920	21.9
174.05569	1.8
183.10231	0.8
186.05617	0.7
188.06956	0.9
227.03418	1.8
228.03725	1.7
229.04123	1.2
237.10336	1.2
241.09735	0.9
245.12912	1.7
251.08273	1.1
253.09666	0.9
255.02934	2.3
255.11308	1.1
256.03262	2.6
257.03577	2.3
263.08051	1.0
265.09827	1.5
265.13553	1.0
267.11475	1.8
276.10068	1.1
278.07098	1.2
279.11459	0.7
284.03113	2.6
285.03772	3.7
286.04138	3.4
287.04340	2.3
291.11258	1.2
293.09274	3.8
293.12552	1.0
295.10825	2.0
305.09500	1.4
305.12750	1.3
307.10928	1.6
307.14328	1.0
313.11942	0.9
325.12079	1.2
331.14383	1.0
333.12372	2.2
337.08105	1.2
341.11374	1.1
345.12372	1.4
349.15234	0.9
359.13736	1.7
361.12009	0.9
369.12549	0.8
375.13678	1.2
377.11090	1.0
377.15247	1.8
379.12997	4.5
388.16968	0.8
397.11829	1.1
421.13956	5.7
439.15048	1.2
441.10999	3.5
447.09131	0.9
448.09680	3.4
449.09848	6.0
450.09903	3.5
451.10291	2.3
452.15866	1.0
453.10855	1.8
458.16934	0.8
494.16827	1.7
502.16238	2.0
503.16129	1.4
506.17090	0.8
535.19214	1.4
550.22308	3.4
578.19183	1.1
606.18884	4.2
631.25311	1.0
650.17853	3.4
659.24463	2.0
673.25305	2.6
674.25793	3.1
682.20355	6.6
683.20422	1.2
701.26361	0.9
703.24298	1.8
705.27997	4.8
706.28156	2.5
719.27612	1.6
745.24817	1.3
763.26379	1.5
777.28418	1.5
795.28259	1.9
803.30975	2.0
839.27692	100.0
840.28101	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	841.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	82.8
70.33469	34.9
70.33798	45.6
88.48660	21.1
98.20062	28.1
114.12780	18.9
209.89180	19.7
219.76897	20.4
277.21786	100.0
279.23199	28.3
298.35428	24.0
309.20547	36.5
347.79355	22.1
560.75964	24.0
629.07019	23.4
798.29224	23.5
841.48572	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
60.27423	0.2
71.01382	6.6
71.52374	0.4
72.99310	1.2
77.34898	0.2
77.67714	0.2
87.00849	0.3
89.02446	1.0
91.64223	0.2
93.03471	0.8
95.01382	0.3
113.02498	0.2
115.00374	15.3
116.00691	0.3
117.03484	2.6
118.03842	0.3
119.05032	10.6
120.05409	0.4
133.01433	40.3
134.01762	0.5
134.03746	1.0
135.04524	1.2
139.81721	0.3
147.04567	0.3
149.02452	0.4
149.06064	0.2
159.04517	0.4
161.02423	1.0
163.04004	12.5
164.04324	0.6
171.04437	0.3
175.04005	0.7
177.05495	0.4
179.03441	0.3
187.04004	0.3
189.05534	0.3
191.03500	0.7
193.05074	1.6
203.03487	0.6
205.05017	0.3
221.04567	0.6
233.04515	0.4
267.06610	0.4
268.07434	0.5
269.04156	0.3
279.05087	1.9
280.05310	0.3
281.04651	0.5
281.08102	0.3
282.05286	1.1
283.06107	1.6
293.08243	0.3
295.06116	2.4
296.06671	1.2
297.07648	10.1
298.07971	0.9
307.06146	1.0
309.07629	1.3
311.05563	2.2
314.04236	0.3
323.05640	1.9
324.06250	0.6
325.07138	3.6
328.05859	2.3
334.26990	0.3
335.05457	0.7
337.07108	1.6
341.06592	0.3
353.06662	21.7
354.07025	2.3
355.07971	0.6
356.05585	0.4
365.06631	3.2
366.07068	0.4
367.08328	0.3
383.07697	16.1
384.07968	1.6
395.07629	1.7
407.07724	0.6
413.08685	2.4
418.26450	0.3
425.08752	1.8
443.09821	6.4
444.10147	0.7
455.09778	1.0
473.10910	4.4
485.10941	0.4
503.11777	0.9
545.13129	0.3
563.14044	100.0
564.14380	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	17.1
60.01699	0.1
71.01382	0.1
71.51007	0.1
71.51431	0.2
75.38863	0.1
77.55257	0.1
83.05038	0.9
85.06580	0.4
96.95979	0.2
97.06578	0.5
103.00377	0.5
106.76952	0.1
108.58484	0.1
112.52621	0.1
119.04971	0.4
139.11288	0.7
159.48579	0.1
163.03990	0.4
163.11293	1.0
165.12830	0.4
179.14410	1.9
181.12317	0.4
191.05544	0.1
195.13937	0.7
197.15454	16.0
198.15762	0.8
225.14946	17.7
226.15237	1.1
241.14442	0.2
243.15988	100.0
244.16333	5.9
244.18881	0.2
265.24353	0.1
277.30930	0.1
285.17053	58.2
286.17398	4.0
353.08890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.5
61.98822	13.6
69.64809	9.3
71.01382	20.1
73.02936	2.8
83.00886	1.6
83.01373	2.4
85.02954	4.9
86.89494	1.5
87.00873	3.1
87.13349	1.7
88.98789	5.3
89.02444	13.8
95.01313	2.0
97.02948	2.6
99.92602	2.0
101.02448	11.8
113.02464	8.1
116.92863	20.3
119.03516	2.7
119.67783	1.7
125.02406	4.0
134.89441	3.1
171.10245	2.6
179.05560	5.8
179.84341	1.6
210.94821	1.6
217.07521	1.9
221.06747	2.9
239.16614	1.9
260.68506	1.8
263.07452	2.5
278.34882	1.7
325.25241	3.8
341.24637	2.6
343.26273	4.2
359.25864	4.6
369.24323	6.5
387.25323	11.9
397.13409	6.8
405.26382	22.5
406.26434	2.6
413.90158	2.0
461.29407	1.9
497.00952	1.8
585.52106	2.1
767.38879	2.8
785.39606	100.0
786.39862	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.9
61.98830	9.8
69.03470	1.4
70.52168	1.0
71.01381	13.2
72.99325	0.8
73.02944	1.9
77.70193	0.4
83.01397	1.2
83.05035	1.3
85.02949	2.8
87.00872	3.3
88.38485	0.4
89.02447	10.2
93.72855	0.5
95.01402	1.0
95.05042	1.5
97.00710	0.4
97.02937	1.4
97.06590	15.5
98.20664	0.5
99.00884	0.6
101.02451	8.9
104.36762	0.5
113.02437	3.7
114.21684	0.4
116.92861	1.1
119.03503	2.0
123.08155	7.3
125.02451	2.4
125.09724	95.8
126.10064	3.4
126.79168	0.5
131.03494	0.5
131.57840	0.4
143.03481	0.6
143.10822	1.0
145.72214	0.5
161.04588	1.1
167.91525	0.5
169.08725	2.4
179.05594	1.3
187.09750	68.1
188.10039	3.4
201.11372	0.6
211.09789	1.0
220.15022	0.4
221.06627	4.2
253.09290	0.5
261.13467	0.9
277.21713	10.2
278.22147	0.9
354.95712	0.5
567.23004	2.2
585.24078	4.2
605.48840	0.6
665.38538	0.5
845.45349	100.0
846.45715	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.5
61.98829	1.9
62.78767	0.4
64.51476	0.4
69.03465	1.8
71.01379	13.7
72.99302	1.1
73.02951	1.7
80.02674	0.7
81.03473	0.4
83.01402	1.6
83.05016	0.8
85.02953	3.3
87.00893	3.1
89.02451	11.3
89.03016	0.6
95.01401	0.8
95.05035	1.9
97.02959	1.5
97.06590	12.5
99.00893	1.2
101.02449	9.0
111.04544	0.7
113.02445	4.2
116.92880	1.0
119.03529	2.1
123.08176	6.5
125.02472	2.3
125.09721	69.1
126.10063	2.1
143.03503	0.7
143.10780	1.0
161.04500	1.2
169.08722	1.3
179.05548	0.5
187.09747	33.5
188.10103	1.1
209.11873	0.8
221.06702	0.9
225.17578	0.5
235.01173	0.5
235.08284	1.7
277.21698	28.5
278.22034	2.1
278.94189	0.5
285.92264	0.6
364.18927	0.4
397.13516	3.5
415.14624	0.5
455.77847	0.5
556.25726	0.5
567.23077	2.1
585.23956	1.9
845.45343	100.0
846.45654	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.8
61.98825	22.6
71.01373	3.5
71.52664	2.1
87.00866	1.9
89.02422	3.1
92.61311	1.6
94.02980	8.5
96.96005	6.0
98.75034	1.9
99.92574	1.9
108.04562	1.6
108.08184	5.2
116.92826	7.5
121.05338	3.0
121.34882	1.8
128.03529	2.6
130.35089	1.5
134.06120	4.2
136.07681	100.0
137.08018	4.0
138.05615	3.2
140.32362	1.6
143.04634	2.6
163.64072	1.8
164.45996	1.6
195.06549	8.0
195.73718	1.8
209.11797	2.8
237.10342	1.6
250.07372	3.4
251.08243	2.4
263.08234	2.1
265.06769	1.9
265.09698	9.6
266.10361	2.2
267.11325	1.7
272.08893	2.2
277.09708	5.6
278.07062	8.1
279.07773	9.0
279.10730	1.7
291.07593	3.3
293.09317	43.6
294.09900	8.0
294.48236	1.7
305.09155	6.3
306.07507	6.1
306.10397	3.8
315.25323	2.0
337.08292	15.4
357.11877	4.1
386.14908	4.3
414.14377	4.2
415.19022	4.3
432.15509	2.5
442.17789	14.1
443.18427	17.8
446.17154	4.7
456.18710	2.0
474.20093	3.0
486.16696	31.5
487.17407	28.6
488.17834	2.5
502.19647	6.0
519.19885	12.0
532.20728	2.3
533.21033	2.1
534.22424	69.6
535.22858	8.1
581.24091	3.9
613.26605	2.7
625.22571	2.5
657.25751	33.7
658.26245	15.6
659.27051	2.5
689.28204	85.3
690.28900	50.1
691.29401	6.6
755.29498	16.3
756.29425	3.6
787.31915	34.5
788.32019	5.2
851.38861	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	850.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.9
70.06400	1.3
76.18333	0.3
94.06625	1.4
102.03495	0.4
106.06678	0.7
107.03785	3.0
116.74003	0.3
119.08668	1.8
121.05356	0.4
121.06596	0.6
122.06123	20.9
124.07690	0.6
132.04568	5.8
134.06128	2.2
135.06862	0.4
136.04024	0.4
136.07759	0.3
137.09727	9.4
138.10030	0.6
139.02768	1.1
144.04517	0.3
146.06274	0.3
147.03297	0.7
148.04033	0.3
150.05623	1.2
151.31943	0.3
152.07175	44.2
153.04424	0.3
153.07515	1.6
158.02461	1.7
160.04012	3.5
162.05595	0.5
164.03520	0.6
165.17194	0.3
166.05042	0.5
172.03952	0.5
174.05568	0.5
176.03558	2.5
176.07121	0.4
177.12859	1.7
184.07660	0.3
190.05084	9.8
191.05685	0.5
192.06650	0.4
202.05093	0.5
204.06778	0.3
211.12308	0.7
215.11903	1.2
221.11815	1.5
222.12085	0.3
223.08812	1.5
224.09467	1.5
224.52338	0.3
227.08318	0.5
237.10289	0.4
238.11076	0.8
239.12971	24.5
240.10281	1.6
240.13174	2.1
241.09825	1.1
250.07512	0.4
251.11934	1.0
252.10255	0.6
253.06158	1.6
255.07751	0.9
255.11418	1.0
256.08511	0.4
265.09824	0.8
267.07687	1.5
267.11307	1.2
268.08514	1.9
271.10931	0.4
280.08432	1.1
281.09402	0.5
281.13925	11.4
282.10043	0.5
282.14258	0.8
283.10873	28.9
284.11307	2.5
285.03763	0.5
293.09326	0.4
295.10892	7.3
296.11401	0.6
297.12451	0.8
307.10846	0.4
309.09024	0.4
309.12308	0.4
312.11108	2.5
313.11649	0.4
315.13629	1.1
323.10468	0.6
324.11230	0.6
325.11774	0.5
327.09982	0.4
327.13565	0.9
339.09851	0.5
341.11484	2.4
355.12955	2.0
356.13873	0.3
404.19870	0.9
418.18201	0.4
420.19547	2.1
430.17685	0.7
448.18768	12.1
449.19119	1.6
464.18222	0.7
474.16650	0.4
480.21503	2.2
489.09879	0.5
490.10330	0.4
492.17740	32.6
493.18073	3.7
524.20355	100.0
525.20642	15.0
590.75220	0.3
786.72321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86582	2.4
80.05067	0.5
83.05042	1.5
91.06245	0.4
94.06645	1.9
97.06615	1.2
104.05077	0.8
106.06670	0.5
107.03767	2.7
108.04613	1.3
122.06118	24.4
124.07664	1.2
132.04567	5.7
134.06140	4.4
139.02818	0.8
147.03358	0.8
149.04858	0.5
150.05626	1.4
152.07169	57.8
153.07527	1.7
158.02505	1.5
160.04010	3.2
162.05591	1.2
163.11336	2.2
174.05630	0.9
176.03557	2.3
176.07161	0.6
179.14412	1.3
182.33354	0.5
190.05070	6.3
191.05913	0.6
195.13918	5.8
196.14218	0.5
211.08698	0.6
211.12401	1.3
212.10860	0.5
213.06476	0.4
215.11806	1.1
223.08780	3.1
223.13373	4.5
224.09503	2.8
227.11969	0.6
236.09569	0.7
237.10359	1.0
238.11053	0.9
239.08180	0.6
239.11873	12.0
240.10274	1.6
240.12386	0.6
241.10362	1.1
241.14439	31.8
242.14842	2.2
249.06720	0.7
251.08220	0.6
251.11819	2.8
253.06163	3.0
254.06802	0.7
255.07768	1.6
255.11401	1.6
265.09793	1.6
267.07651	2.4
267.11444	1.3
268.08508	2.8
279.11246	0.5
280.08459	1.7
281.09241	1.1
282.10233	0.7
283.10901	43.5
283.15530	11.9
284.11249	2.8
284.15891	1.1
285.03842	0.6
295.10855	10.6
296.11298	1.3
307.10965	0.6
311.10446	0.6
312.11066	3.9
313.11545	0.8
315.13651	0.5
321.08707	0.5
323.10364	1.6
325.11908	0.5
327.13669	0.5
341.11429	1.4
355.12979	1.6
404.19897	1.1
420.19632	3.3
430.17764	1.5
448.18774	20.4
449.19180	2.3
464.18170	0.9
474.16623	1.5
492.17731	100.0
493.18115	11.6
506.19150	0.7
524.20325	75.4
525.20563	9.9
604.18188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48387	0.1
61.98830	100.0
71.13792	0.3
86.76755	0.1
134.64104	0.1
163.18980	0.1
178.99339	0.1
223.26398	0.1
259.50049	0.2
339.54654	0.1
499.12622	0.1
610.29749	0.1
692.59387	0.1
729.33771	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	852.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.83878	0.2
70.84215	0.3
80.96524	0.3
106.33028	0.2
142.07866	0.2
142.80360	0.1
154.40198	0.1
157.33363	0.1
170.42288	0.2
197.78288	0.1
227.97342	0.1
771.43744	0.2
853.48865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99302	3.8
61.98843	8.1
68.99563	3.1
69.03458	2.3
70.44876	1.8
71.01389	10.1
71.08389	3.0
71.08709	2.1
73.02949	11.0
81.03442	2.9
83.05031	4.7
85.02958	2.6
87.00886	3.8
89.02437	10.1
93.03464	3.6
95.05071	2.9
96.95986	2.7
97.02966	3.5
97.06594	7.1
99.00886	2.8
100.04098	1.6
101.02440	10.9
105.01952	2.0
107.05030	3.2
109.02940	1.8
109.06619	3.5
111.04546	3.6
112.98551	2.3
113.01704	1.7
113.02456	6.3
116.92835	5.5
121.06582	1.7
123.03253	4.7
123.04515	6.2
123.08161	10.6
125.09637	3.5
128.03571	3.2
130.04213	1.9
138.05621	3.9
140.49057	1.7
141.05562	2.4
144.03033	5.9
144.19128	1.7
146.85056	1.9
149.09750	2.6
151.07680	4.0
154.05070	2.2
155.03455	2.5
161.04556	2.2
161.09715	4.6
166.05136	9.4
171.10266	5.4
175.11259	1.8
177.12863	5.9
179.05650	2.3
185.04521	4.1
203.14377	1.9
207.10207	5.2
209.11824	3.9
215.14407	3.6
221.11838	27.2
223.13557	2.7
225.04387	1.8
225.11339	2.1
233.15492	1.9
235.08160	5.0
239.12860	4.3
241.12279	3.2
247.13400	7.7
249.11331	5.4
249.14865	2.8
251.12659	2.7
253.09279	16.3
259.13370	31.5
265.14410	19.1
266.14914	2.2
276.15717	1.8
277.14465	49.9
277.21707	100.0
278.14651	4.3
278.22040	9.8
295.15463	1.7
367.58716	2.2
457.20654	3.1
495.22427	3.7
495.59406	2.1
501.23438	2.7
513.23315	11.6
563.44452	1.9
735.43311	2.1
745.41632	2.7
761.44006	2.3
773.44897	15.9
774.45380	5.9
791.45306	2.0
853.46002	33.2
854.45923	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	853.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99295	1.1
61.98817	2.7
68.99566	3.5
69.22868	7.0
71.01373	5.2
73.02948	6.1
79.72697	0.8
81.03459	1.2
83.01382	1.0
83.05028	1.6
84.85008	0.8
85.02934	2.3
87.00861	2.6
88.40550	0.9
89.02456	5.0
91.54793	0.8
93.03439	2.0
95.04991	1.7
96.96021	2.2
97.02926	1.0
99.00863	2.2
100.04020	1.3
101.02432	5.7
107.05027	1.9
109.02898	0.8
109.06570	1.7
112.98561	4.7
113.02431	2.4
121.02976	0.9
123.04504	1.5
123.08170	3.2
136.03886	1.0
141.01898	0.9
144.03001	2.0
149.09747	1.1
155.24380	0.8
161.04529	1.6
161.09692	1.5
166.05153	1.0
171.10204	1.7
177.12743	2.1
198.58482	0.8
203.10773	1.6
207.10262	2.4
209.11890	1.7
215.14297	1.6
221.11795	10.4
233.15462	0.9
235.08203	7.5
239.12756	1.7
241.12315	1.9
247.13312	3.6
249.11214	1.9
253.09286	8.8
259.13382	15.4
260.13654	0.9
265.14453	7.4
277.14526	20.6
277.21704	100.0
278.14935	0.8
278.22034	8.3
295.08344	0.8
298.51532	0.8
457.20572	1.0
495.21964	1.5
513.23322	1.9
513.30499	2.4
735.43054	1.8
745.41943	1.3
761.44739	1.6
773.44629	9.5
774.45142	1.7
791.45306	1.8
835.45746	0.9
853.45844	17.2
854.46436	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	857.382
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68041	0.9
70.68399	0.8
71.01380	13.6
72.60420	0.4
72.99306	0.8
73.02943	8.4
75.00876	0.5
79.05533	0.8
81.03463	0.9
81.75489	0.4
83.01392	3.2
83.05022	1.4
84.43794	0.3
85.02948	2.1
85.06585	0.5
89.02448	11.5
95.01367	1.0
95.04985	0.6
97.06591	1.5
99.04516	11.5
101.02444	15.3
103.44122	0.5
110.15157	0.4
113.02455	6.9
113.06073	1.2
117.06867	0.4
119.03506	4.2
122.06084	0.6
123.04523	4.5
125.02452	7.7
131.03450	1.4
137.09723	3.1
139.11296	0.9
141.05548	1.2
143.03529	3.2
148.54785	0.4
149.04543	1.8
152.07156	0.7
153.05551	0.9
153.07509	0.4
161.04552	11.2
163.11224	1.4
165.12878	0.7
179.03967	0.5
179.05611	14.1
179.14386	2.1
195.13861	1.0
197.15463	19.5
198.15738	0.9
199.90547	0.5
203.05557	0.7
203.10725	3.0
207.52939	0.5
221.06691	3.3
221.11830	1.0
225.14944	17.8
226.15416	1.1
243.15993	100.0
244.16342	6.1
263.07745	2.3
285.17065	46.3
286.17386	3.2
323.09860	7.4
344.07669	1.7
383.17111	3.0
425.18228	1.0
483.21674	0.6
526.18079	0.9
527.21320	56.5
528.21747	7.0
690.42261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	3.8
69.27716	4.7
69.28131	1.9
71.01381	3.4
73.02955	4.7
82.02996	1.4
83.01389	5.5
85.02965	1.0
87.04498	1.2
89.73940	0.8
89.83020	0.9
94.02988	29.9
101.02432	2.4
103.00365	1.4
121.40472	0.8
139.11301	7.5
165.09140	0.8
169.12350	2.2
179.10822	1.5
181.12305	3.2
183.10245	14.0
197.11792	2.1
225.11314	10.0
243.12335	7.8
243.16068	1.6
249.11353	1.5
285.13654	1.0
291.12485	1.3
327.14597	1.2
387.16382	3.2
390.41309	0.9
470.20215	4.1
474.67242	0.8
482.20294	15.9
483.20599	1.7
500.21371	100.0
501.21793	10.5
691.05682	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39875	0.2
62.79752	0.2
65.00312	0.2
68.43293	0.2
69.26129	1.4
79.05520	0.2
79.90734	0.2
93.03424	0.3
98.20665	0.3
107.01408	0.4
109.06611	0.2
119.08666	6.0
119.09512	0.3
120.09038	0.4
121.06593	1.4
135.00882	0.3
136.91240	0.2
137.09720	31.4
138.10060	1.4
143.05084	0.3
149.09740	1.0
151.00291	0.3
151.11275	0.6
161.09717	1.4
163.00380	0.8
167.14378	0.7
177.12831	6.1
178.13159	0.4
183.04555	0.2
185.06055	0.5
187.03972	0.6
193.12357	0.5
193.29488	0.2
197.06120	0.3
207.81084	0.2
211.03995	0.5
219.10307	0.2
221.11829	5.8
222.12225	0.3
227.03493	5.3
228.03876	0.3
229.05025	1.8
239.12877	100.0
240.13203	5.5
241.04948	0.3
255.00240	0.4
255.02971	10.9
256.03424	1.2
257.04407	1.3
281.13931	48.7
282.14255	3.7
284.03247	21.2
285.04010	21.8
286.04462	1.4
314.35974	0.2
344.88385	0.2
358.54205	0.2
381.99557	0.2
489.10364	34.3
490.10678	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	859.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	31.5
71.01381	63.6
71.22263	5.0
72.99351	4.8
73.02953	12.7
73.60651	3.2
74.63541	3.8
78.48048	4.0
79.06805	3.5
83.01385	7.3
83.08959	3.7
85.02966	21.3
87.00862	5.2
88.98795	5.7
89.02447	35.1
95.01385	7.5
96.96026	5.5
97.02965	4.7
97.16833	3.9
99.00916	4.3
99.04520	25.6
101.02447	57.1
112.91588	3.4
113.02452	39.5
116.92860	8.6
119.03491	10.6
121.03000	4.0
124.01711	4.6
125.02460	24.8
130.18881	3.7
132.09586	3.4
143.03432	4.6
161.04562	9.5
171.10291	8.8
197.11830	11.6
198.73491	4.0
306.67319	4.2
327.21793	51.3
328.21674	4.1
331.61435	4.1
339.14447	3.9
388.57520	4.0
402.01779	3.9
593.33276	12.7
611.34259	53.4
612.34637	11.8
629.35406	37.9
630.35522	5.0
653.35370	14.6
671.36414	80.9
672.36755	13.8
713.37659	8.3
815.40814	100.0
815.55048	3.6
816.40759	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	861.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
70.35184	1.3
78.35587	0.4
83.05027	4.6
89.91158	0.3
97.06581	3.2
107.01396	0.5
123.08149	0.4
135.00908	0.7
137.09673	2.5
138.10036	0.5
149.09698	0.9
151.00453	0.5
151.11325	0.4
159.04443	0.5
163.00336	0.7
163.11296	5.0
165.12811	0.8
167.14429	1.0
171.44232	0.4
177.12862	1.3
179.14430	3.4
183.62469	0.4
185.06088	0.8
187.04024	1.0
195.04591	0.4
195.13895	17.9
196.14232	1.5
211.03966	0.7
213.05568	0.8
223.13380	16.9
224.13785	0.5
227.03467	9.1
228.03754	0.5
229.04965	3.6
229.40616	0.4
239.03644	0.7
239.12889	2.8
240.04156	0.4
240.13165	1.3
240.89177	0.4
241.14445	100.0
242.14780	5.2
255.02977	20.9
256.03558	2.5
256.05823	0.4
257.04526	2.0
281.13928	1.3
282.14008	0.7
283.15494	46.3
284.00000	1.0
284.03241	39.5
284.15808	3.3
285.04004	39.7
286.04269	2.8
386.49402	0.4
391.55496	0.4
425.65356	0.5
489.10364	63.3
490.10712	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	861.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	31.8
70.15382	3.4
71.01383	36.1
71.51912	5.3
73.02950	3.6
73.23035	3.7
83.01389	5.3
83.05038	5.4
84.74707	3.4
85.02946	9.8
87.00886	8.9
88.98817	3.4
89.02460	22.4
96.96027	6.0
97.06596	4.0
97.30215	3.0
99.00883	5.8
99.92583	4.4
101.02441	21.5
113.02451	13.5
115.92012	2.8
116.92867	23.7
119.03499	4.9
125.02416	4.9
125.09711	6.4
128.53178	3.8
139.11293	3.9
142.38721	3.2
143.03590	3.5
148.67863	3.2
150.03235	3.5
161.04512	4.2
163.41031	3.6
165.05554	8.9
167.03372	2.9
168.83470	3.4
171.10258	51.6
179.05551	7.2
204.20000	3.2
209.11743	5.0
211.13333	9.9
216.19260	3.3
221.06544	5.7
233.15535	18.8
249.14912	15.3
259.37677	3.7
315.12289	3.6
315.21609	7.9
329.23322	32.8
341.24890	4.4
352.32083	3.5
367.85052	3.3
380.12381	3.1
385.23810	12.6
397.13345	11.0
403.24985	18.4
421.25613	10.5
509.91675	3.5
639.34814	3.8
783.24304	5.5
783.38123	71.5
784.38171	13.5
801.39258	100.0
802.38641	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	2.6
71.01383	4.9
71.05019	0.4
73.02939	0.9
74.86196	0.3
83.05051	0.8
85.02940	1.3
87.00868	0.4
88.98780	0.5
89.02452	2.4
96.95997	2.1
97.02921	0.5
97.06583	0.4
99.00872	0.7
99.08163	4.5
101.02457	3.0
101.73696	0.3
113.02454	1.4
113.09668	0.5
121.86237	0.4
121.88847	0.3
122.44819	0.4
125.02393	0.5
125.09747	0.7
127.11304	5.2
137.09737	0.9
139.11298	15.1
141.73790	0.3
149.04523	0.6
153.09186	0.6
155.10747	0.9
157.12354	2.0
161.04608	0.5
171.10272	40.7
172.10602	1.3
183.29012	0.3
185.72832	0.4
197.11824	0.3
198.12170	0.3
201.11285	0.9
209.11737	0.7
211.13449	0.9
229.14423	0.6
233.15498	1.5
238.50464	0.3
243.16019	0.6
249.15015	0.7
293.21310	1.3
311.22177	0.5
327.21796	0.6
328.22128	0.5
329.23312	100.0
330.23648	7.3
385.23969	0.8
397.13556	0.5
403.24863	1.2
421.25861	0.5
531.28064	4.6
532.28394	0.5
673.36603	0.6
783.38464	3.2
784.37891	0.6
801.38776	4.5
802.39978	0.8
817.41455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02387	0.4
63.15467	0.3
65.00325	0.6
71.01398	0.9
73.02934	1.6
83.01378	2.1
85.02977	0.6
86.92240	0.3
88.83807	0.3
98.19765	0.6
99.04543	0.3
101.02445	1.7
106.14073	0.3
107.01385	1.5
122.06147	0.6
123.00880	0.4
124.01679	0.5
125.02413	0.7
139.11270	1.3
141.10977	0.4
148.01625	0.5
149.99673	0.4
151.00349	5.6
151.01434	0.5
152.07172	0.8
154.80428	0.4
169.01398	0.3
171.04578	0.3
178.99918	0.5
179.10727	0.5
181.12303	0.5
183.10271	3.6
197.11804	0.4
199.03992	1.4
201.01918	0.7
204.04268	0.6
205.05098	0.6
215.03473	1.1
216.04283	0.4
225.11328	2.8
227.03496	2.6
229.01532	0.4
239.12997	0.5
242.02174	4.0
243.02962	24.2
243.12387	4.5
244.03458	1.7
255.02998	0.9
257.04547	8.2
258.04977	0.4
270.01666	5.7
271.02466	24.4
272.02866	1.5
283.02530	0.6
284.03397	0.5
285.04028	15.0
285.13220	0.8
286.04709	4.3
287.05325	0.5
291.12222	0.7
293.09241	0.4
299.01920	7.4
299.05246	0.7
300.02734	15.0
301.03137	1.5
309.13580	0.4
313.03455	1.2
314.04315	49.8
315.05066	40.8
315.13333	0.4
316.05386	2.5
327.14560	2.6
357.06174	1.2
357.88791	0.4
387.16592	13.8
388.16788	1.2
477.10358	100.0
478.10706	10.3
563.52899	0.5
703.22095	4.5
704.23065	0.7
705.27911	1.0
738.58008	0.4
775.81299	0.5
865.26971	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	8.6
69.26563	4.0
71.01392	9.8
71.06187	8.4
78.32105	4.8
89.02438	16.3
101.02438	11.7
113.02418	7.0
125.02421	5.3
125.70729	3.7
149.39114	4.3
161.04463	5.1
171.10260	100.0
179.05516	5.9
209.11797	6.3
245.14796	4.5
272.70468	4.2
277.21686	52.1
278.22043	6.8
314.38840	4.8
318.38440	4.8
359.05737	4.8
379.12430	29.3
397.13470	49.0
401.03705	4.5
411.60574	4.3
415.14951	4.9
540.36938	4.1
551.23462	14.2
569.24615	11.5
647.77496	4.5
657.35394	7.7
675.36115	6.2
865.43268	55.8
866.44275	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	865.436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	29.6
64.95639	7.5
70.57850	23.7
71.01378	19.0
81.45965	7.9
89.02439	13.8
98.02372	7.5
99.48821	6.6
101.02443	10.3
116.92669	8.4
136.82010	7.4
151.50111	7.8
171.10283	100.0
209.11887	13.9
277.21735	78.7
278.21976	12.5
284.57568	7.9
285.17386	9.5
379.12234	20.2
381.16544	8.8
397.13754	54.1
415.14719	14.1
599.40210	9.6
675.36511	14.7
710.28961	8.8
865.43134	56.8
866.44196	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.366
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01711	1.1
68.01410	13.8
69.59577	1.3
69.59988	2.6
69.64936	0.6
71.01382	33.2
72.99319	1.5
73.02944	20.6
81.68758	0.7
82.02969	1.7
83.01392	5.4
85.02950	5.8
87.00910	0.7
89.02441	22.7
90.02796	0.6
90.97762	0.6
95.01390	0.6
97.02941	0.7
98.19920	1.1
99.00899	6.0
101.02445	24.4
103.00378	0.7
110.02471	10.3
113.02450	10.2
119.03506	3.1
123.46576	0.6
125.02464	1.9
131.03490	3.2
134.22769	0.7
143.03484	3.3
149.04552	17.9
159.03027	0.9
161.04552	18.7
161.05894	0.9
163.04030	1.3
173.75153	0.7
188.05659	1.9
191.05626	3.4
195.05130	0.7
203.05602	12.8
212.05588	0.8
221.06635	4.3
230.06680	100.0
231.07019	4.5
251.07671	2.8
255.03238	0.7
260.11331	2.6
283.02512	0.8
302.12436	29.8
303.12817	2.4
311.09720	2.9
341.08463	1.5
346.11526	1.3
428.71866	0.6
468.61856	0.8
519.24463	11.8
520.24707	1.6
633.72308	0.7
651.15356	1.4
758.28748	0.7
822.08789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98546	0.1
64.89023	0.1
66.91866	0.1
68.61212	0.1
70.23385	0.2
80.96511	0.2
98.20621	0.1
116.92912	0.2
163.84767	0.1
194.99858	0.1
210.90002	0.1
246.22177	0.1
277.21777	0.2
344.74362	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.17107	0.3
78.06767	0.1
80.96537	0.2
81.97275	0.1
116.92851	0.2
277.21869	0.3
327.21561	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	12.8
66.86356	2.4
69.03454	18.0
69.40367	9.0
69.40800	9.6
70.02978	8.9
71.01376	5.8
77.78379	2.3
81.03457	14.4
82.02985	7.9
83.01398	3.9
83.05062	2.6
84.00910	3.8
85.02932	2.8
86.02477	22.6
87.00880	3.0
88.00414	5.2
89.02466	3.0
92.43571	2.2
93.03440	4.4
95.05056	3.2
97.02953	35.2
98.02495	5.0
99.00899	3.0
99.04527	8.2
100.04030	11.7
101.02466	9.0
102.01972	98.4
108.04559	23.5
109.02950	4.0
110.02484	8.0
110.06101	2.8
111.04523	10.7
116.92858	4.7
117.45462	2.8
117.90634	2.5
120.04540	7.7
121.02932	7.4
124.04053	14.9
125.02450	7.3
125.09734	5.1
126.01942	3.9
130.61209	2.7
136.04044	100.0
137.04437	3.0
138.05614	6.6
139.02737	5.8
139.03970	8.9
139.28136	2.5
144.01900	3.6
144.03032	43.5
152.03554	47.7
154.05090	50.2
164.03552	18.7
170.04568	7.4
171.10248	24.1
182.04572	58.2
190.97688	2.4
200.05617	10.1
209.11885	14.2
222.73099	2.4
233.11765	2.3
238.14520	4.6
251.12764	4.0
253.09326	7.3
262.14526	5.9
269.14056	3.5
277.21719	51.1
278.22058	7.2
292.15488	4.0
298.24258	2.6
341.23383	6.8
342.23557	3.7
343.29987	2.7
410.67395	2.6
765.44934	2.9
788.45215	5.2
850.46277	5.5
868.46790	39.2
869.47241	9.5
895.68085	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	868.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98532	0.1
70.98641	0.1
70.98965	0.1
73.83160	0.1
106.04523	0.1
121.11897	0.1
162.11546	0.1
205.47313	0.1
277.21738	0.1
705.39520	0.1
776.72992	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.55297	1.5
61.98838	11.0
65.31729	1.6
70.73399	5.2
71.01382	3.7
80.05059	4.8
94.02983	25.0
96.96023	1.9
99.04527	2.2
101.02487	2.1
104.05048	2.4
106.06615	5.2
108.04575	3.1
108.08196	62.3
113.02419	2.9
122.06074	3.5
123.03221	1.6
124.03970	2.2
127.15186	1.9
132.04541	5.6
134.06158	3.0
136.04057	4.2
138.05614	8.8
148.03958	2.1
148.05275	2.4
150.05551	5.2
152.07166	23.8
160.04044	3.5
162.05634	2.3
163.07660	2.0
166.08788	2.5
171.10301	1.9
188.07138	1.9
197.97134	2.0
201.10263	5.4
211.08725	2.1
213.10364	3.4
225.10268	2.8
227.11891	7.4
229.09721	5.3
229.13348	2.8
237.10374	2.5
239.11865	6.2
241.09630	1.8
249.10315	4.7
250.07259	2.8
251.08136	5.3
251.11894	2.8
253.09758	5.7
255.11337	4.8
263.08167	6.5
264.08929	2.9
265.09723	6.9
266.10568	2.6
267.11340	3.7
269.12869	6.1
276.09052	3.1
277.09888	9.3
278.07071	4.7
278.10516	5.3
279.07700	6.2
279.11316	8.3
282.60901	1.7
283.10880	2.7
290.10449	2.6
291.07672	4.8
291.11304	5.6
292.08563	7.9
293.09299	12.0
294.10019	3.5
295.10904	3.2
301.11829	10.3
305.09119	3.3
307.10867	6.5
309.12463	2.2
314.13138	2.8
319.12955	23.7
321.08893	3.0
327.13669	1.8
333.08786	2.1
339.09955	2.7
344.14035	3.6
358.15527	2.5
359.16220	2.9
372.17273	5.4
373.14102	2.3
374.14853	8.6
374.19009	4.2
386.14990	2.8
396.17975	2.1
398.19049	3.0
399.19916	3.6
400.16461	8.1
414.18365	12.7
415.18854	5.4
416.19876	5.4
430.21289	3.2
442.17734	64.5
443.18112	9.6
459.18094	6.4
460.18747	78.6
461.19049	9.4
474.20441	6.3
486.16302	8.2
493.22266	2.1
495.23672	3.5
506.22491	4.5
513.24872	6.1
521.22034	3.9
537.25513	3.3
539.22705	6.7
553.24915	3.1
555.25970	4.1
563.22626	2.7
571.25677	5.2
581.24310	13.9
582.24176	4.5
587.28802	2.1
599.24957	28.3
600.25525	2.7
603.27972	2.4
613.26685	9.0
615.24237	2.6
625.23096	18.0
626.23041	3.1
631.27722	100.0
632.28046	17.8
643.23785	4.1
645.29321	2.3
657.25568	21.7
658.26080	3.9
663.30231	36.5
664.30389	7.0
666.23206	2.3
673.28918	2.7
675.26678	22.4
676.27264	3.6
707.29065	13.1
712.27350	4.4
717.27960	6.7
745.27460	3.3
777.29169	6.1
780.76379	2.1
805.29401	37.8
806.29407	8.5
809.32867	6.2
819.30865	5.0
837.31934	98.3
838.32532	18.5
851.33282	2.7
869.34296	27.6
870.35205	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	871.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19781	1.1
61.98825	7.8
62.85322	1.1
69.03448	2.5
69.22779	10.2
69.61073	1.0
69.90682	1.3
71.01381	15.6
72.85192	1.1
72.99306	1.7
73.02930	2.2
81.03433	1.4
83.01398	2.2
85.02949	3.5
87.00835	2.0
89.02035	1.0
89.02457	11.9
97.02949	2.9
97.06578	3.0
99.00874	1.9
101.02442	10.7
102.01939	2.0
106.91701	1.1
110.02526	1.7
113.02441	5.2
116.92805	2.1
119.03483	2.4
124.69217	1.1
125.02415	2.7
128.90138	1.3
130.38589	1.2
136.04018	2.2
151.11299	11.8
161.04610	1.2
169.12337	63.8
170.12663	3.0
199.32710	1.3
207.48463	1.2
209.11836	2.0
213.11316	7.9
221.06641	3.8
235.08290	1.6
266.24167	1.1
277.21689	20.4
278.21967	2.4
289.17758	1.3
300.13074	1.1
307.19226	1.9
309.20605	2.0
397.13470	2.8
399.59195	1.4
700.35840	1.6
871.46973	100.0
872.47308	21.1
887.16174	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	873.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	45.9
62.49763	17.2
65.59396	15.0
71.43043	18.9
76.71693	14.5
116.92825	18.1
123.73663	17.7
262.76077	17.5
277.21674	100.0
286.85040	18.5
341.23303	78.6
396.44867	21.0
484.37894	16.7
597.74487	16.9
873.51508	46.6
874.51746	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	2.9
69.03457	3.2
69.03789	0.5
71.01383	0.9
71.52241	0.5
75.34151	0.3
79.15150	0.4
83.05022	0.7
83.58188	0.4
84.15254	0.4
86.71333	0.4
89.12629	0.4
96.96034	0.6
99.92609	0.3
101.02440	0.4
108.05801	0.6
109.39664	0.3
116.92881	2.1
119.08658	5.3
123.08145	0.3
125.09731	2.2
127.11263	2.0
135.08122	0.4
137.09720	14.9
138.10033	0.6
153.09158	0.5
155.10890	0.5
165.09264	0.4
171.10263	66.4
172.10614	2.8
185.11810	1.1
201.11302	13.1
209.11853	0.6
213.11278	2.3
216.32797	0.4
249.29140	0.3
253.09178	0.5
264.46274	0.4
273.18469	1.0
291.19727	1.9
309.20691	6.3
327.21756	100.0
328.22092	8.1
329.71753	0.4
343.22772	0.4
545.29590	0.5
747.11749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4469
Annotation	Kahalalide B
Peak:m/z	Relative Intensity
61.76588	1.1
61.98812	4.2
66.03487	1.4
70.02972	2.3
71.01377	2.9
71.02505	8.8
71.51570	1.7
72.45133	1.1
73.04069	28.5
74.02515	1.8
76.17683	1.0
82.02959	3.7
82.06636	1.5
83.02517	4.8
85.70711	1.2
88.04039	83.1
95.02502	2.3
96.00913	23.0
96.96028	3.0
97.04062	2.9
98.02475	19.9
99.02031	5.6
100.40280	1.3
101.02437	1.2
109.04080	19.6
110.02480	21.6
110.03615	2.9
111.01997	8.4
113.03570	10.7
114.01974	2.6
115.05128	10.1
116.05006	1.5
116.92844	3.2
124.04002	1.3
125.02560	1.5
125.03555	4.8
126.04311	2.9
127.05148	2.2
128.04642	2.1
129.10342	17.1
130.06203	2.9
130.08772	2.6
131.04602	1.7
135.01993	4.2
139.08749	2.1
140.07167	1.9
140.10825	2.8
141.10359	3.0
145.06271	1.3
146.06136	7.6
149.03674	1.2
151.08736	5.6
152.04623	8.2
152.07182	8.1
153.03062	37.5
155.04596	1.4
155.08301	2.9
155.11870	2.8
157.13446	11.8
165.10312	1.5
167.05884	1.4
167.08223	2.5
167.10681	2.5
167.11868	2.9
168.11412	15.6
169.07368	2.2
169.09845	9.3
170.05705	35.7
171.04044	6.6
179.11909	2.5
182.12877	1.6
183.11346	5.3
184.01947	1.3
184.94376	1.2
186.12468	12.3
187.08325	2.3
187.10973	1.3
195.11292	2.4
198.07944	2.3
201.12433	17.5
209.06717	2.8
210.05173	2.7
210.12471	25.2
211.10840	2.9
211.12682	1.7
212.14081	2.2
214.15587	8.0
225.03435	1.2
226.11888	1.6
227.07832	1.5
227.10277	1.5
228.13484	8.2
240.13571	1.6
241.13448	12.7
255.02954	2.3
258.13974	2.2
258.16125	7.6
262.11908	1.8
266.13547	1.7
271.17529	1.4
276.17191	3.4
283.02432	1.6
284.03247	2.0
285.04062	6.2
315.16592	8.2
323.13464	1.5
333.19382	2.1
351.16470	1.3
357.19345	14.4
375.20386	18.1
376.20447	1.7
395.15710	16.0
412.18304	18.2
429.20865	2.1
456.20880	3.1
489.10651	1.8
546.26624	2.3
736.44855	1.2
788.39398	16.4
789.39709	1.7
823.14178	1.8
832.42151	100.0
833.42047	16.7
858.43402	1.9
859.43378	1.3
876.44727	97.7
877.29456	2.2
877.44989	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	877.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	0.3
69.41787	0.8
69.42194	0.2
83.01375	0.4
87.04519	0.2
93.03452	0.4
96.96017	1.6
103.00412	0.1
104.23408	0.2
107.01407	0.7
117.03470	0.4
125.02446	0.6
133.01491	0.1
133.02829	0.2
143.05048	0.2
145.02933	0.2
151.00375	2.2
153.01915	0.4
155.10832	0.9
159.04497	0.3
163.00381	0.4
165.01897	0.2
169.06549	0.3
171.04530	0.2
174.03204	0.4
175.03957	0.4
178.99847	0.6
183.04526	0.3
185.06123	0.3
187.03938	0.2
199.09715	1.2
211.03992	0.7
213.05443	0.2
227.03481	35.1
228.03845	2.1
229.04956	0.6
239.03394	0.6
241.05023	0.4
241.10695	0.7
255.02969	47.4
256.03558	6.5
257.04214	0.5
268.03741	0.2
269.04523	0.5
283.02429	2.3
283.11932	0.6
284.03250	49.2
285.03998	33.5
286.04367	2.0
294.32880	0.2
297.04080	0.3
299.05521	0.3
323.92081	0.2
327.05029	1.4
343.13913	1.6
387.16489	0.3
398.38348	0.2
447.09250	0.8
489.10345	100.0
490.10684	10.4
545.93915	0.2
629.18481	1.0
734.71002	0.2
751.83350	0.2
833.25232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.274
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02404	0.4
65.00309	0.5
69.03445	0.1
69.17062	0.7
69.17485	0.2
73.02947	0.8
83.01389	1.5
85.02966	0.1
87.04529	0.2
93.03436	0.5
100.17279	0.1
101.02452	0.6
107.01380	1.0
109.02979	0.2
113.02459	0.1
117.03466	0.4
121.02950	0.1
123.00818	0.1
125.02443	0.6
133.02940	0.2
137.02431	0.2
139.11287	1.1
141.07169	0.1
143.05009	0.2
145.03020	0.1
148.01646	0.1
149.02278	0.1
151.00363	2.6
151.11320	0.2
152.01137	0.1
153.01947	0.4
154.04271	0.1
159.04498	0.2
161.02428	0.1
163.00374	0.3
164.01184	0.2
165.01939	0.3
165.09265	0.2
167.05060	0.2
168.05702	0.1
169.01447	0.2
169.06590	0.3
169.12341	0.4
171.04451	0.3
173.06084	0.1
174.03194	0.7
175.03973	0.4
178.99887	0.4
179.10771	0.2
181.12325	0.5
182.03671	0.2
183.04523	0.5
183.10258	2.8
185.02464	0.1
185.06075	0.4
187.03975	0.4
189.05484	0.1
193.01379	0.2
195.04675	0.1
195.13896	0.1
197.11792	0.4
199.03917	0.2
199.13377	0.2
200.04607	0.1
201.05542	0.1
211.03993	0.9
213.05539	0.3
214.02757	0.1
215.03542	0.2
217.04881	0.1
219.02881	0.1
225.11304	3.1
226.11748	0.2
227.03484	42.0
228.03859	2.2
229.04953	0.6
231.10106	0.2
239.03380	0.6
239.12759	0.1
240.04266	0.1
241.04944	0.4
243.02951	0.3
243.12343	4.7
243.16074	0.2
244.12650	0.3
247.13528	0.1
249.11227	0.4
253.04875	0.2
255.02972	54.6
256.03598	7.4
257.04355	0.6
267.02954	0.1
267.12305	0.7
268.03760	0.2
269.04459	0.5
281.04495	0.1
283.02435	2.2
284.03244	55.4
285.03979	35.3
285.12836	0.7
286.04391	2.0
291.12302	0.7
296.02878	0.1
297.04086	0.3
299.05853	0.4
309.13400	0.4
309.59424	0.1
315.14584	0.1
327.05173	1.3
327.14484	2.7
328.05319	0.2
387.16583	10.7
388.17084	0.9
429.08197	0.1
489.10339	100.0
490.10684	9.9
490.18100	0.2
526.39642	0.1
673.21234	2.1
674.21796	0.4
786.53992	0.1
877.27515	1.4
878.28107	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02382	0.3
65.00325	0.3
73.02941	0.5
73.04623	0.2
81.47927	0.2
83.01388	1.2
85.02927	0.2
87.04534	0.2
93.03459	0.3
99.04539	0.3
101.02462	0.9
107.01379	0.9
117.03505	0.3
125.02441	0.5
139.11287	0.9
151.00377	2.3
153.01913	0.2
163.00397	0.3
165.01900	0.2
169.01526	0.2
169.12325	0.4
174.03214	0.5
175.03947	0.4
178.99828	0.3
179.10825	0.2
181.12343	0.5
183.04518	0.4
183.10242	2.4
185.06110	0.2
197.11935	0.2
211.03998	0.7
213.05447	0.3
215.03447	0.2
225.11351	2.2
227.03485	36.5
228.03850	2.4
229.05038	0.5
239.03455	0.5
239.12819	0.2
240.04250	0.2
241.05070	0.4
243.03117	0.2
243.12347	4.3
244.12648	0.3
249.11389	0.3
255.02974	47.8
256.03604	6.2
257.04321	0.7
267.12405	0.6
268.03546	0.2
269.04593	0.3
283.02557	2.1
283.05704	0.3
284.03250	52.1
285.03986	27.0
285.13477	0.6
286.04416	1.3
291.12323	0.6
297.04114	0.3
309.13525	0.3
327.05240	1.0
327.14536	1.9
328.14734	0.2
387.16599	8.2
388.16867	0.5
429.08142	1.1
447.08844	0.4
459.18719	0.4
489.10355	100.0
490.10718	9.8
621.78070	0.2
673.20880	0.9
674.21393	0.2
735.31244	0.2
877.28235	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02396	0.4
65.00332	0.5
66.97195	0.2
69.29224	0.9
69.29626	0.5
73.02937	0.5
83.01380	1.4
93.03459	0.3
98.50357	0.2
99.04540	0.4
101.02454	1.0
107.01400	0.7
111.08203	0.2
113.02433	0.2
117.03464	0.3
125.02453	0.6
139.11299	0.9
151.00372	2.6
153.01950	0.4
163.00302	0.2
169.01436	0.3
169.12373	0.2
174.03194	0.4
175.04007	0.2
178.99826	0.3
181.12328	0.5
183.04468	0.4
183.10258	2.7
185.06079	0.4
197.11757	0.3
211.04025	0.8
213.05531	0.4
225.11296	2.5
227.03484	37.8
228.03871	2.0
229.05020	0.6
237.72900	0.2
239.03491	0.4
241.05011	0.6
243.12355	4.6
244.12613	0.3
249.11288	0.3
255.02974	49.8
256.03580	6.7
257.04321	0.6
267.12384	0.8
269.04437	0.4
281.04367	0.2
283.02499	2.0
283.05582	0.3
284.03250	52.0
285.03989	26.2
285.13052	0.8
286.04391	1.4
291.12399	0.6
297.04150	0.3
299.05728	0.2
309.13376	0.3
327.05069	1.3
327.14542	1.7
387.11526	0.4
387.16586	7.6
388.16995	0.6
429.08264	0.7
459.18765	0.4
489.10355	100.0
490.10721	12.0
673.21649	1.2
877.27692	1.3
878.27979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02382	0.3
63.15239	0.2
64.13751	0.3
65.00324	0.8
71.51855	0.4
74.95483	0.3
83.01389	0.5
95.69173	0.3
103.00353	0.5
107.01409	1.8
108.02152	0.9
109.02938	0.6
121.02931	1.0
135.00885	0.6
135.04555	0.3
136.34262	0.3
142.04266	0.3
148.01656	1.1
149.02428	0.3
151.00366	7.2
163.00417	1.5
164.01112	0.4
178.99876	3.0
186.94725	0.3
191.23296	0.3
197.15430	0.7
199.03888	0.4
201.05585	0.3
211.04001	0.6
215.03542	0.4
225.14978	0.7
226.02713	0.7
227.03600	1.6
227.30754	0.3
229.05017	0.4
243.02979	5.3
243.15976	4.2
244.16299	0.4
245.04633	0.7
247.61018	0.3
254.02208	1.3
255.02971	15.9
256.03448	1.0
271.02463	31.9
272.02896	2.6
273.03845	0.6
283.02487	0.9
284.03076	0.3
285.17136	1.4
286.17383	0.4
299.01996	0.9
300.02734	69.4
301.03461	26.5
301.06339	0.4
302.03781	1.6
401.30014	0.3
463.08633	1.7
501.62234	0.3
505.09860	100.0
506.10205	11.2
539.72308	0.3
539.82739	0.3
872.75104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	8.4
71.01378	14.7
71.05017	2.0
71.51417	2.2
73.02951	2.4
78.54630	2.0
85.02958	2.9
87.00890	2.2
89.02462	9.7
97.02943	5.3
99.00872	13.9
101.02426	9.8
109.06631	1.8
113.02448	4.1
116.92858	3.2
119.03520	3.7
125.09738	5.5
136.89151	2.7
146.20573	1.9
155.34889	1.9
163.11273	12.5
171.10278	10.6
177.63445	1.7
181.12276	12.1
181.19386	1.6
199.13379	9.8
207.10268	21.9
208.10687	1.9
225.11296	33.4
226.11786	2.2
243.12294	11.3
251.41196	2.0
255.23296	33.7
277.21823	3.3
397.13477	6.8
415.14346	2.2
623.25897	2.8
779.36243	2.2
779.86609	2.3
861.47943	3.1
879.49646	100.0
880.50024	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	879.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	12.3
70.98775	2.7
70.99122	2.4
71.01378	13.0
71.05003	1.7
71.57756	1.6
73.02938	2.6
85.02946	3.0
87.00864	2.7
89.02435	11.0
97.02945	6.1
97.06567	2.3
99.00872	15.3
101.02477	8.2
101.40374	1.7
109.06554	1.9
113.02426	5.1
116.92825	10.6
119.03474	2.2
125.02435	3.1
125.09698	6.7
136.89172	2.7
138.17305	1.5
163.11264	7.5
171.10266	11.6
179.05579	2.1
181.12306	15.4
187.06668	1.7
199.06303	1.5
199.13400	9.0
207.10228	27.6
208.10577	1.9
221.06602	4.7
225.11299	44.0
226.11827	2.6
230.04927	1.7
243.12296	26.0
255.23329	25.2
279.23489	2.2
397.13446	8.6
415.08868	1.7
415.14142	3.3
433.58163	1.8
623.25800	1.9
641.26251	2.6
653.58624	2.0
703.73004	1.9
806.83600	1.9
879.49573	100.0
880.49957	15.2
884.71179	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	885.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
68.28554	0.7
69.03455	1.2
69.35683	6.6
71.01382	26.2
72.99290	1.0
73.02946	21.7
73.81709	0.7
75.00858	0.9
79.05541	1.5
80.15063	0.9
81.03447	2.0
83.01393	7.5
85.02953	4.9
86.61517	1.0
87.00892	1.1
89.02441	18.5
95.01378	1.6
97.06611	2.0
98.47490	0.7
99.04520	100.0
100.04861	2.8
101.02444	55.2
102.02781	1.1
109.06548	0.8
113.02457	13.7
113.06104	2.0
119.03515	8.0
123.04524	12.7
125.02449	45.9
126.02750	1.8
131.03481	3.1
131.27620	0.8
134.56439	0.7
137.09718	0.8
141.05574	3.0
143.03506	10.4
149.04582	8.4
153.05566	3.4
161.04559	15.9
165.60738	0.8
179.05653	4.0
183.06497	0.8
189.07607	1.2
201.07629	0.9
203.05586	1.2
221.06628	6.2
243.08673	1.0
261.09726	2.8
283.11844	1.9
306.15768	0.9
325.12894	5.8
363.37698	0.9
365.16101	1.5
383.17075	1.2
427.16064	84.7
428.16367	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	3.9
69.03442	1.0
70.34536	1.3
71.01381	14.8
72.99306	1.4
73.02956	2.9
80.02654	1.3
81.03465	1.8
83.01386	2.3
83.05029	5.5
84.02156	0.9
85.02943	3.5
86.69624	0.3
87.00887	2.8
89.02444	12.9
95.01375	1.3
95.05025	1.3
97.02955	2.2
99.00887	1.1
101.02447	10.7
113.02457	6.2
119.03500	3.2
123.04543	0.4
125.02450	5.7
125.06069	0.7
126.42671	0.4
134.89449	1.1
139.03998	0.6
141.01927	0.6
143.03503	2.1
161.04556	3.4
163.11270	4.0
165.12909	2.5
179.05595	4.2
181.12343	1.3
191.10806	1.1
199.13390	1.6
207.10312	0.5
209.11819	100.0
210.12172	4.2
211.13361	0.5
217.07159	0.7
221.06647	1.3
225.11363	1.2
227.12874	20.1
228.13268	1.0
235.08176	5.1
251.13040	0.7
253.09283	0.9
259.08124	0.5
263.07822	0.6
277.21713	45.6
278.22095	3.9
287.07669	1.4
305.08832	1.2
319.22974	0.4
322.62280	0.4
323.09872	1.7
379.12506	6.7
393.87671	0.4
397.13492	34.3
398.13815	2.4
415.14572	8.9
416.14578	0.5
589.24518	0.7
607.26086	2.3
625.27100	1.3
631.78113	0.5
885.47632	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	885.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	2.2
61.99107	0.4
62.01398	0.3
69.03459	0.9
71.01383	12.8
72.99312	1.6
73.02940	2.2
75.00883	0.3
80.02686	1.1
81.03457	2.3
83.01392	1.5
83.05019	5.5
84.02148	0.6
85.02949	4.1
87.00863	4.2
87.01308	0.4
89.02447	13.0
93.03428	0.5
95.01398	1.2
95.05019	0.4
97.02928	2.4
99.00891	0.9
101.02441	11.4
109.02991	0.4
113.02444	6.5
119.03503	3.2
125.02438	6.2
125.06037	0.5
126.90508	0.4
131.03482	0.9
133.05040	0.6
135.08180	0.8
139.04018	0.8
141.01959	0.4
143.03470	2.2
161.04546	3.6
163.11301	4.1
164.11514	0.4
165.12816	2.4
179.05618	3.2
181.12335	0.6
183.13998	0.3
185.04665	0.3
185.11882	0.3
190.88995	0.4
191.10771	1.5
199.06181	0.5
199.13335	1.0
209.11816	100.0
210.12132	4.5
217.07016	0.7
221.06644	1.5
225.11325	0.7
227.12877	13.4
228.13187	0.8
235.08209	4.9
245.06680	0.6
251.12878	0.4
253.09250	1.1
263.07584	0.7
277.21701	49.5
278.22073	3.7
287.07675	1.5
291.23230	0.4
305.08704	1.9
323.09891	0.9
356.97174	0.4
379.08002	0.6
379.12457	6.9
397.13474	35.1
398.13849	2.3
415.09009	0.5
415.14554	9.2
416.14557	0.4
419.35013	0.4
425.98706	0.3
427.34998	0.3
549.58612	0.3
607.25781	1.6
625.26782	0.4
675.36420	0.6
885.48187	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.65210	0.5
71.01382	0.3
83.79630	0.2
140.46040	0.2
209.11804	0.4
277.21774	0.5
278.22205	0.2
341.53183	0.2
408.57425	0.2
887.49896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.48
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.6
69.03456	0.7
71.01379	14.0
71.40442	0.5
71.40767	0.4
72.99308	1.5
73.02945	3.1
81.03474	1.0
83.01394	1.7
83.05027	0.4
84.11222	0.3
85.02941	4.3
87.00876	4.3
89.02442	13.1
90.02808	0.3
95.01412	1.6
97.02942	2.8
99.00890	1.0
101.02441	12.3
101.03114	0.7
109.02976	0.4
111.04536	0.5
113.02451	6.9
116.92823	1.6
119.03506	2.9
121.02969	0.4
124.01698	0.5
125.02444	6.5
125.09706	1.2
127.11274	2.1
131.03482	0.5
139.03979	0.5
141.01895	0.4
143.03500	2.8
145.05032	0.3
153.09201	0.9
161.04549	3.9
171.10263	100.0
172.10619	3.3
179.05608	3.4
186.42928	0.3
199.06194	0.9
213.11354	0.6
216.94933	0.3
217.07141	1.4
221.06688	1.6
235.08194	5.1
245.06740	0.3
253.09235	0.7
259.08173	1.0
263.07785	0.5
277.21704	56.3
278.22064	4.0
287.07626	2.0
291.23294	0.4
301.09302	0.4
305.08685	2.1
319.10217	0.3
323.09857	1.1
361.11398	0.6
375.26538	0.3
379.12436	17.5
380.12488	0.8
397.13492	41.1
398.13785	2.0
415.14532	7.8
416.14474	0.5
496.07748	0.3
496.48306	0.3
551.23431	5.2
569.24426	5.7
570.25293	0.6
657.34888	1.8
658.35541	0.5
675.35962	2.3
694.19238	0.4
708.77936	0.4
889.03015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.48
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	1.4
67.02505	0.4
68.99819	0.4
69.03466	0.6
70.83899	0.4
71.01381	16.8
71.28539	0.6
72.99316	1.0
73.02946	3.4
81.03471	0.9
83.01395	2.3
85.02959	4.1
85.23766	0.3
87.00874	4.0
89.02444	12.3
95.01385	1.3
97.02947	3.2
99.00896	1.1
101.02443	12.9
109.02943	0.5
111.00842	0.6
111.04517	0.5
113.02451	7.5
116.92879	1.1
119.03493	3.5
121.02972	0.6
125.01543	0.6
125.02435	6.8
125.09734	0.9
127.04043	0.5
127.11298	1.7
131.03523	0.4
139.03999	0.7
143.03482	2.5
153.09225	0.7
161.04553	4.3
167.03540	0.4
171.10266	100.0
172.10606	3.0
179.05592	3.2
197.93646	0.4
199.06064	0.5
209.11821	0.4
217.07210	1.1
221.06657	1.1
233.59615	0.4
235.08218	5.3
253.09340	1.1
259.08212	1.5
263.07797	0.7
277.21710	63.0
278.22089	4.4
287.07788	2.5
291.23138	0.5
301.09271	0.7
305.08652	2.2
323.09821	1.0
361.11578	0.6
379.12405	15.5
380.12784	0.7
397.13486	42.7
398.13702	2.4
415.14554	8.7
416.14401	0.5
543.73663	0.5
551.23462	3.9
569.24213	2.7
657.34973	2.1
675.35980	3.7
676.36584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	0.2
73.02944	0.3
82.97453	0.2
83.05025	4.3
85.72034	0.2
97.06585	3.1
123.08189	0.7
125.67081	0.2
137.09715	1.6
139.11311	0.5
147.08138	0.2
149.09724	1.3
151.00455	0.4
151.11298	0.5
163.11284	6.3
164.11603	0.3
165.12802	1.1
167.14401	0.6
177.12856	1.0
179.10808	0.5
179.14410	3.9
193.12256	0.2
195.13896	18.0
196.14209	1.0
197.79936	0.2
199.04016	0.6
205.12384	0.2
223.13385	17.1
224.13683	0.9
227.03513	0.5
239.12875	0.7
241.14447	100.0
242.14796	5.6
243.02997	1.4
255.02979	2.1
271.02481	3.5
272.03107	0.5
283.15500	54.4
284.15851	3.7
284.18832	0.3
299.01984	6.1
300.02676	3.7
314.00714	0.3
314.04324	6.2
315.05099	11.2
316.05426	0.5
519.11414	16.3
520.11743	1.6
534.03851	0.2
629.49652	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16228	9.8
71.01407	13.6
88.82368	9.9
89.02448	17.5
90.04890	9.9
101.02405	14.8
104.54371	9.5
108.95677	11.3
116.82249	8.9
171.10297	100.0
172.10590	45.6
190.17589	12.1
277.21732	62.5
278.22003	29.3
279.22427	20.5
386.85870	11.3
397.13586	11.9
398.13766	18.8
399.13980	22.6
703.09216	11.3
750.57715	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	892.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98536	13.0
71.01376	23.1
89.02447	11.4
89.14020	8.6
101.02436	13.1
116.92862	23.4
123.20917	10.0
125.02444	9.4
131.96269	11.4
171.10229	100.0
172.10561	60.9
173.10750	17.1
173.65552	11.6
185.11603	12.3
267.25870	10.3
277.21677	56.6
278.21960	53.3
279.22415	17.9
296.30179	8.9
397.13400	16.4
398.13718	21.9
399.13974	15.1
400.14474	11.5
553.23499	10.3
733.29303	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	897.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	2.1
70.66409	3.9
71.01385	32.3
72.99306	3.3
73.02953	6.7
81.03448	1.6
83.01385	2.3
85.02953	8.5
87.00877	12.5
89.02448	29.4
89.02929	1.1
94.63737	1.4
95.01373	3.8
97.02938	3.3
99.00910	1.1
101.02448	24.0
113.02451	16.7
116.92863	4.4
119.03464	5.6
125.02448	9.2
131.03497	5.4
136.89151	1.3
143.03500	4.6
161.04532	5.9
170.97145	1.2
179.05617	11.2
203.05644	1.5
211.07657	1.5
221.06644	5.3
235.08022	2.2
253.09245	3.6
263.07578	1.6
277.21732	15.8
278.21988	1.4
287.50641	1.2
300.08163	1.1
316.24585	1.6
323.09839	1.8
324.46149	1.3
333.59811	1.4
379.12387	2.8
383.11981	1.5
397.13361	7.7
415.14569	4.5
559.18787	100.0
560.19543	7.4
577.19836	31.7
578.19983	3.2
837.41376	11.0
838.41327	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	3.8
71.51649	1.2
75.00878	1.3
77.96336	1.1
84.02172	3.7
84.46421	1.1
85.03017	1.0
89.02475	2.7
97.06604	1.7
99.04530	1.9
101.02445	3.1
109.43062	1.0
113.02446	2.9
151.80077	1.0
161.04553	2.5
171.10257	7.0
183.13916	3.3
193.12387	4.2
211.13393	3.9
216.48506	1.0
225.14948	5.7
235.08221	15.5
243.15955	1.9
253.09261	18.2
277.21732	100.0
278.22025	5.7
291.19717	1.6
323.22253	3.7
341.23309	77.5
342.23636	3.8
513.30695	2.6
559.31085	1.8
577.32141	3.1
601.44788	4.4
675.67926	1.3
814.64972	1.1
915.53656	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.377
Annotation	Unknow
Peak:m/z	Relative Intensity
66.82907	0.1
69.42276	0.1
70.02976	5.1
70.69681	0.3
72.00908	1.9
72.04549	1.2
74.02472	37.6
75.02809	0.3
81.04656	0.1
98.02474	8.8
116.02715	0.3
116.03552	9.6
116.05057	14.8
117.05406	0.3
130.06631	1.9
142.06618	4.1
156.08200	0.2
159.09273	3.6
161.04930	0.2
183.09242	0.9
186.05563	1.0
201.10327	3.3
203.08252	38.6
204.08606	1.4
245.09288	100.0
246.09637	5.1
289.08167	0.8
764.19531	0.2
784.88312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01622	0.1
69.18788	0.3
69.19193	0.9
70.02580	0.3
70.02976	5.1
72.00905	2.3
72.04544	1.4
74.02473	36.1
75.02795	0.2
84.04556	0.2
98.02477	8.1
115.35216	0.2
116.02706	0.3
116.03554	9.6
116.05058	13.9
117.05390	0.4
130.06610	1.6
142.06609	3.3
143.07013	0.2
156.08183	0.2
157.07780	0.2
159.09274	3.1
160.02579	0.2
168.30630	0.2
183.09261	0.8
186.05611	0.9
201.10316	3.2
203.08255	40.2
204.08607	1.5
223.06198	0.1
245.09291	100.0
246.09647	4.5
255.02948	0.2
284.03278	0.3
285.03943	0.6
286.04352	0.2
289.08255	0.9
302.17758	0.2
343.48587	0.2
609.14496	0.4
610.15039	0.7
611.15698	0.2
660.67383	0.2
690.43048	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80367	71.2
66.22838	74.1
71.01376	79.0
71.50723	84.3
71.51106	76.3
99.51349	67.3
125.97333	71.3
148.04774	65.5
160.87497	76.2
217.50224	85.7
250.45901	65.5
299.43610	84.3
341.23291	71.4
352.80151	71.2
396.21249	70.9
410.27005	68.2
419.73563	73.3
461.54498	74.2
511.16739	100.0
840.08142	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02395	0.5
65.00346	0.6
73.02930	0.4
83.01381	0.9
91.66734	0.3
93.03465	0.7
96.95992	0.5
98.20676	1.0
101.02439	0.7
103.00336	0.7
107.01374	1.1
108.07101	0.3
117.03461	0.6
119.05090	0.4
125.02452	0.7
135.00891	0.5
151.00349	3.5
153.01973	0.6
161.02322	0.5
163.00371	0.4
164.01105	0.4
171.04492	0.8
173.06119	0.4
175.03995	0.6
178.99884	0.5
183.04533	1.0
185.06102	0.6
187.03999	0.6
189.05647	0.4
211.03986	1.1
213.05571	0.5
215.03523	0.4
227.03484	31.7
228.03886	1.3
229.05020	0.8
229.48929	0.5
239.03442	0.9
241.04878	0.7
255.02974	49.9
256.03516	5.5
257.04294	0.4
269.04425	1.1
283.02469	14.3
284.03241	44.2
285.04013	72.5
286.04346	4.3
297.03937	1.1
307.11325	0.4
317.15277	0.4
327.05023	1.7
367.13870	0.9
421.20462	0.4
447.09485	0.5
489.10355	100.0
490.10681	9.8
490.16116	0.2
531.11365	1.6
540.21368	0.4
652.18152	0.8
653.18292	2.7
654.19354	0.6
857.24915	4.9
858.25085	1.0
874.17847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	0.8
69.60250	0.3
69.77311	1.6
69.77654	0.5
71.01382	11.1
71.05022	2.4
72.99316	0.7
73.02951	1.9
75.00860	0.5
81.03443	0.8
83.01387	1.1
83.05021	0.8
85.02941	2.5
87.00876	2.4
89.02450	7.3
89.28172	0.3
95.01373	1.0
95.05025	0.6
97.02951	5.0
97.06569	1.5
98.19920	0.4
99.00883	14.5
101.01793	0.5
101.02445	7.4
106.04230	0.4
108.11987	0.3
109.06579	1.3
110.03737	0.9
113.02446	3.8
116.92831	0.5
119.03485	1.4
123.08137	1.0
125.02454	2.1
125.09727	5.6
127.11306	0.5
131.03510	0.3
135.08110	0.8
136.05257	0.5
136.09541	0.3
137.02451	0.4
142.02690	1.4
143.03482	0.9
145.10217	0.4
153.12791	0.5
155.14409	0.6
155.49365	0.3
161.04546	1.1
161.09688	0.7
163.11284	7.5
171.08852	0.4
171.10266	5.9
172.10626	0.3
179.05585	1.1
179.10733	0.9
181.12347	13.4
182.12569	0.5
197.11774	1.1
199.13393	10.3
201.11272	0.9
207.10252	27.8
208.10556	1.2
217.07159	0.4
221.06667	3.4
223.13345	0.5
225.11310	39.1
226.11624	1.2
235.08192	1.4
243.12364	21.8
244.12674	1.2
253.09389	0.5
277.21719	12.9
278.21811	0.9
317.15927	0.4
379.12299	1.0
397.13443	4.5
415.14645	1.2
614.16144	0.4
623.25415	1.8
641.26886	2.6
883.47437	1.2
901.47974	100.0
902.48267	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	901.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46613	0.4
69.03455	1.3
69.90272	0.5
70.36554	1.0
70.36932	1.0
71.01382	14.1
71.05019	2.9
72.99306	1.0
73.02934	1.7
80.96484	0.5
81.03445	0.6
83.01384	1.0
83.05026	0.7
85.02939	2.5
87.00864	2.3
89.02449	8.1
95.01392	1.1
95.05002	0.9
97.02941	4.5
97.06576	2.8
99.00880	13.8
101.02445	6.9
109.06567	1.5
110.03700	0.7
111.10910	0.4
113.02435	3.3
119.03497	2.1
120.44868	0.5
123.08145	1.4
125.02421	2.4
125.09731	6.7
135.08125	0.9
142.02705	1.2
143.03477	1.0
153.12839	0.7
161.04568	1.1
163.11290	9.4
171.10268	9.7
179.10823	0.7
181.12331	11.7
197.11736	0.7
199.13368	4.6
201.11327	0.9
207.10258	20.3
208.10551	1.2
210.78639	0.5
221.06680	1.8
225.11310	29.6
226.11636	0.8
233.67561	0.5
235.08185	2.0
243.10124	0.9
243.12378	11.6
264.45407	0.5
277.21710	26.0
278.22119	2.5
305.38538	0.5
351.17160	0.5
364.94769	0.5
379.12302	2.1
397.13449	7.5
415.14429	1.6
450.04001	0.5
551.24023	0.7
570.71558	0.5
623.25592	2.0
641.26685	1.4
883.46478	1.5
901.47992	100.0
902.48273	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	901.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98688	0.7
67.69128	0.7
69.03454	1.4
69.64677	0.8
71.01382	14.6
71.05010	2.3
72.99310	1.1
73.02935	3.5
75.80959	0.8
80.96512	1.3
83.01387	2.2
85.02937	3.3
87.00881	2.8
89.02444	10.2
95.01363	1.3
95.05022	0.9
97.02946	5.1
97.06575	2.0
98.20675	2.1
99.00890	10.8
101.02457	8.7
107.05042	0.8
109.06590	1.8
110.03742	1.0
113.02440	4.6
116.92899	1.8
119.03472	2.5
123.08132	1.3
125.02412	2.7
125.09753	4.5
127.11331	1.0
127.67899	0.9
133.73178	0.7
141.44171	0.8
143.03503	1.2
161.04538	2.0
161.09682	0.7
163.11275	7.1
171.10243	9.3
181.12343	8.4
189.09103	0.8
194.81796	0.7
197.11777	1.6
199.13344	9.1
201.11359	2.1
207.08371	1.2
207.10249	21.1
208.10588	1.3
220.58679	0.8
221.06517	1.9
225.11308	32.8
226.11734	1.0
235.08174	2.3
243.12347	8.3
277.21704	36.2
278.22006	2.9
358.85956	0.9
359.95007	0.9
379.12527	2.1
397.13449	11.0
415.14545	2.3
605.24310	2.4
623.25452	3.0
675.36060	1.0
680.97870	1.0
825.57904	0.9
883.46899	11.9
884.47736	2.9
901.47968	100.0
902.48444	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12682	0.2
65.00335	0.7
71.28227	0.3
83.01380	0.3
84.14915	0.2
88.18781	0.2
93.03468	0.5
107.01386	0.5
117.03429	0.2
119.28940	0.2
125.02409	0.5
142.05447	0.3
151.00362	2.5
153.01907	0.4
158.42854	0.2
163.00436	0.4
165.01913	0.2
174.03162	0.4
178.99881	0.4
181.12326	0.8
183.04486	0.3
185.06009	0.4
187.03947	0.3
200.92255	0.2
211.04012	0.8
213.05511	0.4
224.91397	0.3
225.11368	0.8
227.03484	34.3
228.03853	1.7
229.04973	0.5
239.03476	0.5
241.04944	0.3
243.02969	0.4
255.02977	47.2
256.03629	5.8
257.04364	0.8
269.04520	0.4
283.02518	2.4
284.03247	48.6
285.03998	30.3
286.04431	1.8
291.12387	1.1
297.03928	0.3
299.05783	0.4
327.05133	1.4
369.15472	2.1
447.09171	0.7
489.10367	100.0
490.10736	7.8
655.20483	1.0
859.27289	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.5
71.52001	0.2
78.09814	0.2
119.08660	6.2
121.06573	1.3
128.56909	0.3
137.09720	29.0
138.10049	1.1
149.09718	0.6
151.11299	0.7
161.09673	1.6
167.14406	0.7
175.11171	0.3
177.12831	5.8
178.13182	0.3
193.12338	0.6
219.10187	0.3
221.11829	5.7
222.12062	0.3
239.12872	100.0
240.13226	4.7
255.62054	0.2
268.03729	1.4
269.04526	6.2
269.07288	0.5
270.04895	0.3
281.13925	56.3
282.14273	3.5
404.85431	0.2
489.10175	0.3
576.14142	0.6
577.15436	7.5
578.15747	0.8
668.89807	0.3
693.10675	0.3
877.37976	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.8
69.25423	4.5
71.01387	6.1
73.02949	10.7
75.00862	0.8
83.01382	13.1
84.02244	0.7
84.97310	0.6
85.02959	2.6
87.04498	2.1
89.02455	0.9
93.03451	0.9
95.01377	0.9
97.02951	0.7
98.20628	0.8
99.04486	0.6
101.02423	4.8
104.05083	0.8
107.37887	0.6
108.02204	1.4
109.03037	0.7
109.06590	1.5
112.61138	0.5
113.02447	1.0
121.02972	2.6
122.03717	1.3
123.04613	1.2
125.02463	0.8
125.06088	1.5
127.07665	1.1
134.03732	1.4
135.04475	1.2
135.08197	0.6
136.01659	79.3
137.02406	2.2
137.09734	1.6
139.11290	15.4
140.11583	0.6
140.16057	0.7
148.04080	1.3
149.09686	0.6
151.04002	100.0
151.11281	1.8
152.04318	2.4
152.07167	1.3
160.04028	0.9
160.05299	1.7
161.02460	0.7
161.09653	0.6
162.03200	0.8
163.03989	1.7
163.11313	1.5
165.09201	2.3
167.10793	1.1
169.12283	4.4
175.07637	1.7
177.05556	1.4
179.03534	0.8
179.10710	3.7
181.12331	6.5
183.10262	17.5
187.03952	0.8
189.05377	0.6
190.05095	0.9
191.07076	1.2
195.13962	0.9
197.11806	2.6
199.13432	0.7
207.10249	1.3
225.11319	16.0
231.10245	1.3
239.12859	2.0
243.12357	11.6
249.11311	1.6
251.11676	0.6
267.12256	1.7
271.02298	0.8
285.04111	1.0
285.13409	1.6
291.12366	1.7
295.10620	1.1
301.74048	0.5
306.96616	0.6
309.13470	0.8
314.04294	1.4
315.05032	1.3
327.11575	0.8
327.14468	2.6
338.47522	0.6
342.10986	4.9
343.11737	6.9
355.12946	0.7
357.13425	37.3
358.13733	2.3
362.90939	0.6
387.16510	5.9
407.61273	0.7
441.27908	0.7
505.16919	1.0
519.10944	1.9
519.17102	1.8
520.11450	0.8
727.30139	0.8
745.30750	15.9
746.31323	1.7
831.82587	0.7
875.29706	1.1
907.36029	66.0
908.36414	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	917.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	1.5
70.00685	1.0
70.01090	1.6
75.62951	0.5
83.01400	1.8
93.03461	2.2
107.01403	4.5
117.03496	1.6
118.16061	0.5
123.00861	0.6
132.86047	0.5
137.02455	3.0
143.05011	0.7
151.00366	12.3
152.00616	0.6
155.05011	0.6
159.04494	0.8
163.00378	1.0
165.01979	0.7
169.01448	1.0
169.06557	0.7
171.04500	1.1
175.00554	0.5
176.21048	0.5
182.03671	0.5
183.04567	2.8
184.04730	0.6
185.02438	0.6
185.06070	0.8
187.03987	0.8
195.13963	0.6
199.03995	0.8
211.03979	3.3
213.05548	1.3
223.13287	0.8
227.03511	9.0
229.05040	1.7
239.03458	1.6
239.05666	0.6
239.12927	1.7
241.05133	2.4
241.14441	6.1
255.02980	46.1
256.03372	3.4
257.04657	3.0
268.88531	0.5
283.02472	65.4
283.15491	3.2
284.03195	20.1
285.04034	100.0
286.04410	4.8
297.04166	1.3
327.05017	2.0
387.10666	0.8
489.10330	7.1
490.10553	1.1
531.11487	0.8
567.11438	22.5
568.11523	2.2
591.13123	0.5
668.18060	1.1
669.18225	77.1
670.18640	10.6
755.85590	0.5
873.24603	21.5
874.24902	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	919.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78282	3.2
70.78639	1.8
71.01376	13.5
73.02929	3.0
85.02963	3.3
87.00867	1.6
89.02460	9.7
97.02980	3.3
99.00854	4.6
99.92560	1.5
101.02438	8.9
113.02426	3.7
116.86582	1.4
116.92843	8.6
119.03487	2.0
124.45914	1.4
125.02389	1.9
125.09726	5.9
127.11263	6.2
143.03519	1.7
155.10699	1.8
163.11302	3.1
165.09203	3.6
168.58820	1.5
171.10272	3.4
181.12335	7.1
199.13367	6.0
201.11313	63.6
202.11624	2.2
207.10272	11.0
217.14381	2.2
221.06618	3.6
225.11343	19.0
235.08096	1.4
243.12402	9.5
277.21738	20.8
397.13525	3.3
605.24927	3.0
623.25793	3.0
883.46930	10.2
901.47882	3.5
919.49042	100.0
920.49506	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	100.0
71.51830	1.7
72.99297	3.1
73.02948	6.4
75.00949	1.6
79.95700	1.7
81.03468	2.6
83.01391	3.0
85.02952	7.1
87.00877	4.7
89.02446	21.0
95.01381	1.9
97.02940	5.0
99.00872	1.9
101.02447	18.0
109.06597	6.4
111.04554	1.8
113.02470	9.3
119.03516	5.5
125.02464	8.0
125.09717	3.4
127.11273	2.9
133.05075	1.6
134.85481	1.5
135.54268	1.8
137.09694	1.6
141.01889	1.9
143.03488	2.5
154.06004	1.5
155.10712	2.0
161.04579	3.6
163.11264	2.4
171.10277	47.2
179.05556	5.5
181.12369	2.5
199.09766	11.3
201.11348	16.6
207.10246	21.0
215.12862	5.5
225.11317	15.0
235.08270	6.5
243.12251	2.3
245.06750	1.7
277.21713	74.4
278.22021	7.1
287.07785	2.2
291.92456	1.8
298.27576	1.8
305.08920	2.4
379.12500	7.7
397.13522	44.5
398.13803	3.6
415.14636	9.5
416.15042	1.8
623.25439	1.8
783.44647	1.9
857.45038	3.0
883.47296	10.4
884.47198	2.9
901.47852	3.2
911.08160	1.6
919.48193	14.4
920.50549	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	920.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03486	2.3
69.76516	2.8
71.01357	1.5
72.04519	1.3
73.04067	2.1
74.02452	1.9
77.07761	0.7
82.09041	0.7
83.02514	0.9
84.00884	4.5
84.04541	1.1
88.04040	50.0
91.57125	0.8
91.73366	0.7
94.53871	0.8
101.07214	4.5
111.05595	1.0
112.07676	0.9
112.10998	0.7
113.07213	30.3
114.01956	2.6
114.05611	12.7
115.08736	1.4
116.92860	6.7
123.05657	1.8
125.07194	2.6
127.05151	1.0
129.10344	10.6
130.08727	1.1
135.05666	0.8
136.07661	1.0
137.07176	1.1
138.05609	2.4
139.08783	4.9
140.07179	0.9
141.06702	1.5
141.09282	1.3
141.10342	19.1
143.11951	0.7
151.05109	1.8
151.08760	4.3
153.06706	23.5
153.07961	1.2
154.07152	0.7
154.08669	1.3
155.08211	2.7
166.12332	1.0
167.08209	1.7
167.11906	2.3
168.11433	1.8
169.09818	5.5
171.11395	4.6
185.09306	89.6
186.09627	1.8
186.12506	4.0
195.11334	6.6
198.12466	13.4
200.14075	0.9
207.15021	0.8
208.13254	1.4
212.14041	15.4
223.18048	1.0
224.17659	4.5
225.15996	1.4
226.15588	3.7
238.19112	1.4
240.17244	1.2
242.09030	1.2
242.11432	9.0
242.18735	12.6
251.14996	1.6
252.13660	1.8
264.20706	1.0
266.18759	6.4
267.17130	0.9
269.16156	2.2
270.14542	1.8
279.18149	1.3
281.19775	1.9
284.03268	1.0
284.19803	11.6
285.04211	1.3
297.19254	2.5
321.22906	1.1
323.20828	1.2
341.21957	1.3
349.18759	3.5
394.24548	2.4
438.23584	18.1
439.23502	1.1
454.30392	2.1
489.10257	1.3
533.34735	1.1
551.32184	2.2
608.33905	1.9
610.52771	0.8
667.21832	1.0
876.34290	2.1
876.51935	74.0
877.52313	13.8
920.54584	100.0
921.54926	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	921.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00304	0.5
65.77294	0.1
69.29219	0.9
69.29617	0.2
73.02934	0.9
83.01381	1.8
85.82631	0.1
86.84523	0.1
87.04510	0.2
93.03430	0.5
93.05569	0.1
97.82674	0.1
98.20721	0.2
101.02440	0.8
101.08415	0.1
107.01422	0.8
108.02148	0.1
113.02463	0.1
117.03464	0.4
121.02960	0.2
123.04488	0.1
125.02439	0.9
137.02478	0.2
137.06039	0.1
139.11302	1.0
143.05005	0.2
147.04633	0.1
149.02480	0.2
151.00369	2.7
152.01004	0.1
153.01945	0.5
159.04520	0.3
163.00409	0.3
164.01161	0.2
165.01973	0.3
167.05014	0.2
169.06564	0.3
169.12337	0.5
171.04530	0.2
173.02423	0.1
174.03224	0.5
175.04062	0.6
178.99814	0.5
179.10757	0.3
181.12360	0.6
183.04497	0.3
183.10240	2.3
185.02458	0.1
185.06036	0.6
187.03934	0.4
189.05528	0.3
195.04276	0.1
197.05963	0.2
197.11838	0.3
199.03893	0.1
201.05505	0.2
211.03973	0.8
212.04771	0.1
213.05524	0.4
215.03394	0.2
225.11327	2.6
226.11591	0.2
227.03479	40.7
228.03868	2.0
229.05005	0.7
239.03542	0.5
240.04124	0.2
241.04951	0.5
243.02974	0.4
243.12334	3.6
244.12625	0.2
249.11267	0.2
255.02969	52.1
256.03613	7.0
257.04340	0.6
259.06122	0.1
267.02817	0.2
267.12396	0.6
269.04495	0.4
283.02484	2.3
283.05621	0.2
284.03244	56.5
285.03989	39.0
285.13364	0.6
286.04364	1.9
291.12299	0.6
297.03986	0.3
299.05530	0.3
309.13318	0.3
315.14465	0.2
327.05151	1.6
327.14462	2.3
387.16571	10.7
388.16904	0.5
421.11050	0.1
429.07767	0.2
447.09039	0.8
489.10333	100.0
490.10690	8.7
655.20026	0.2
673.21295	2.5
674.21649	0.2
700.45660	0.1
835.26849	0.2
877.27753	1.7
878.28058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
68.34342	0.7
68.99813	0.9
69.03474	1.3
69.74352	4.1
69.74754	1.3
71.01383	9.4
72.99307	1.3
73.02959	1.4
75.00869	12.2
77.43215	0.7
81.03458	7.2
83.01398	6.1
85.02949	2.9
87.00869	3.1
89.02450	1.1
93.03477	1.7
95.01389	2.4
95.05030	3.0
97.02962	5.8
99.00874	5.4
99.04518	3.6
103.00388	1.1
107.05039	1.2
109.02949	2.9
111.00847	0.9
111.04504	2.0
113.02458	1.6
117.03459	2.7
119.05025	10.9
121.02946	2.9
121.06590	0.9
123.04528	14.2
124.04862	0.8
125.01530	1.4
125.02448	25.0
129.01956	12.8
133.06615	1.0
135.04530	2.5
137.02429	6.7
137.06093	1.9
139.04019	3.3
145.02971	2.9
147.04501	1.5
149.02409	1.5
149.06058	1.2
151.04036	3.5
153.05540	2.6
155.03462	1.2
159.03038	0.9
161.06064	1.8
163.04015	18.2
165.02016	0.9
165.05525	2.4
166.02736	1.1
167.03494	33.2
168.03873	0.9
175.04100	1.0
177.01906	0.9
177.04021	7.2
177.05486	1.1
179.03500	9.3
181.05046	1.9
191.03493	2.5
193.05032	1.8
195.05095	39.4
196.05505	0.9
197.04547	10.7
198.04922	1.0
205.05022	1.9
206.02242	0.9
209.04550	53.8
210.04857	2.1
221.04520	3.3
226.46907	0.7
239.05608	56.2
240.06052	3.5
251.05646	3.6
263.05496	1.5
265.07278	1.0
265.10587	0.7
269.06665	23.3
270.07132	1.0
277.03647	1.0
281.06656	4.9
299.07831	4.5
304.88568	0.7
311.07773	2.7
314.71512	0.7
323.07742	1.0
329.08701	5.6
341.08752	100.0
342.09167	6.3
371.07724	13.7
372.07935	0.8
401.08759	10.8
402.08975	0.8
419.11954	3.4
431.09857	3.1
443.09924	2.0
461.10880	24.2
462.11386	1.9
473.11014	1.9
491.11960	18.8
492.12531	1.8
503.12201	1.0
521.13116	1.3
563.13910	3.4
581.15106	74.5
582.15454	10.3
583.15747	1.3
814.01642	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01907	0.7
69.03455	0.5
69.74306	1.5
71.01382	37.0
72.01717	0.3
72.99310	1.2
73.02941	0.7
81.03487	0.3
83.01390	1.7
84.02172	1.6
85.02950	57.3
86.03279	0.9
87.00874	1.6
89.02445	11.8
90.25694	0.2
92.43736	0.2
95.01387	22.6
96.01729	0.5
96.70435	0.2
97.02966	0.5
99.00866	0.6
99.04570	0.3
101.02446	1.1
113.02450	100.0
114.02787	1.1
114.94051	0.2
116.92863	1.1
125.02416	0.6
131.03500	1.5
139.00360	0.9
143.03485	3.4
149.04590	2.0
149.05649	0.3
161.04558	21.9
311.09964	1.4
439.32086	2.6
656.56696	0.3
795.41595	1.2
854.25140	0.4
927.45929	53.2
928.46252	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	934.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99311	0.7
73.24360	0.1
81.03462	0.4
83.05022	1.0
91.05547	0.7
93.07119	0.6
96.95995	0.2
97.06600	0.2
98.19927	0.4
103.00391	0.2
118.53914	0.2
119.05033	1.8
130.04240	0.2
133.10231	2.3
141.07123	1.5
144.05783	0.2
144.57074	0.2
145.06581	3.4
147.08131	0.2
155.08678	0.6
157.06587	2.1
157.10201	1.3
158.07352	0.3
158.13113	0.2
159.08156	12.2
160.08942	10.9
160.09972	0.2
161.09248	0.2
163.11295	0.5
173.09714	5.4
174.09991	0.2
175.11276	54.9
176.11606	2.1
219.10251	100.0
220.10564	4.2
230.18581	0.2
237.11336	0.4
238.14478	0.2
243.12271	0.3
255.03267	0.2
280.15515	0.2
280.27673	0.2
337.82730	0.2
433.20444	0.2
634.92242	0.2
756.46765	0.2
810.56586	0.2
931.85309	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00312	1.7
71.01366	0.4
71.51921	0.4
83.01385	1.7
93.03506	0.5
107.01389	4.6
108.02174	0.7
109.02952	1.4
121.02941	1.6
124.01768	0.4
125.02429	1.2
132.02060	0.3
133.02904	0.8
135.00856	0.6
135.04543	0.5
137.02448	0.4
139.11302	0.9
143.05031	0.3
148.01671	0.9
149.02431	1.0
151.00366	16.6
153.02008	0.4
161.02432	0.5
161.04430	0.3
163.00328	2.5
163.03992	0.6
164.01099	1.0
165.01895	0.6
169.01416	0.9
173.06009	0.4
174.03204	0.6
175.00366	0.4
175.03983	0.6
178.99847	7.2
179.14371	0.3
181.12367	0.5
183.10323	0.8
187.03998	0.8
188.04756	0.6
189.02031	0.4
190.02730	1.0
190.99809	0.4
191.03476	0.7
192.00487	0.4
192.99501	0.3
193.01385	0.9
195.13820	0.4
198.03123	0.6
199.03952	1.8
203.03548	0.5
211.04028	0.6
215.03455	1.0
216.04256	1.3
225.11299	0.8
226.02727	6.0
227.03464	4.2
228.04330	0.4
229.05066	0.7
239.03593	0.3
241.14484	1.9
242.14844	0.7
243.02974	14.5
243.12291	0.7
244.03542	1.0
245.04492	0.7
254.02208	7.2
255.02980	10.1
256.03583	0.8
271.02466	83.3
272.03040	6.3
273.03943	0.6
283.02481	3.5
283.10916	0.5
283.15518	0.8
284.03250	1.6
285.04074	1.7
297.03848	0.4
299.01978	15.3
300.02734	100.0
301.03491	58.8
302.03931	2.6
313.03494	0.7
329.03345	0.4
343.04593	1.5
359.13278	0.4
371.08716	0.4
387.16641	1.6
403.11292	2.0
463.08856	1.2
489.10321	2.0
505.09863	93.1
506.10257	6.4
629.18707	0.4
671.19342	0.7
689.20880	9.3
690.21515	1.0
833.25342	1.7
851.26453	1.1
875.26672	1.3
893.27148	40.9
894.27716	6.9
955.72900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	2.8
71.01380	14.8
71.06007	1.7
72.70934	1.4
72.99319	1.9
73.02934	3.1
81.01488	1.4
85.02942	4.4
87.00870	5.6
88.98808	14.4
89.02449	9.1
90.33770	1.5
97.02951	9.2
99.00872	16.1
101.02446	8.6
113.02445	4.7
119.03486	1.8
123.08106	1.8
125.02398	4.2
125.09702	6.8
126.20876	1.4
141.05983	1.7
156.13220	1.4
163.11263	8.7
169.53780	1.6
181.12323	16.4
207.10243	48.1
210.41251	1.4
225.11313	69.3
226.11792	2.2
232.54045	1.7
235.08157	3.7
243.12357	22.8
277.21716	50.0
278.22104	1.9
288.65695	1.4
289.27530	1.5
295.05356	1.4
317.15665	1.7
326.08078	1.6
380.00668	1.6
397.13364	8.9
436.89337	1.6
605.24445	19.7
606.24481	2.1
623.25641	8.8
883.46930	100.0
884.47351	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	943.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	1.7
70.17542	4.0
71.01385	15.5
71.05017	1.9
72.99326	1.3
73.02950	3.0
75.00869	2.5
76.51117	1.1
81.03465	1.0
82.23583	1.0
83.01379	2.5
83.05040	1.4
85.02950	3.2
87.00874	5.0
88.98801	12.5
89.02463	6.9
97.02950	10.6
97.06608	1.6
99.00889	17.9
101.02448	7.9
109.02968	1.3
110.03754	1.3
113.02473	6.1
116.92856	4.4
125.02458	6.7
125.09711	6.1
136.05229	1.4
142.02664	1.5
143.03465	1.5
161.04607	1.7
163.11304	10.2
179.05630	1.3
181.12343	18.1
199.13312	2.8
207.10262	53.4
208.10558	1.9
221.06627	2.1
223.13351	1.6
225.11316	83.4
226.11674	3.0
235.08192	2.8
237.69235	1.1
239.13036	1.4
243.12389	33.6
277.21719	52.5
278.21918	2.4
296.42892	1.2
306.54401	1.0
317.15942	2.9
379.12402	1.8
382.21774	1.2
397.13382	7.0
491.90924	1.1
569.99194	1.1
605.24487	28.5
606.24603	2.9
623.25555	26.3
624.25616	3.1
883.46930	100.0
884.47589	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	949.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24763	1.3
83.01390	0.3
86.96994	0.2
93.03445	0.2
97.22008	0.1
99.04491	0.2
101.02449	0.2
103.32589	0.2
107.01369	0.6
123.56663	0.2
125.02422	0.6
144.04550	0.2
145.14769	0.1
151.00375	1.5
169.01466	0.2
174.03206	0.3
175.04036	0.3
178.99811	0.6
183.04503	0.2
185.06059	0.2
187.03958	0.2
195.18587	0.2
211.03938	0.5
227.03485	29.6
228.03746	1.0
229.04993	0.6
239.03465	0.2
241.04788	0.2
255.02972	38.5
256.03613	4.1
257.04425	0.5
269.04462	0.2
281.04788	0.2
283.02542	0.2
284.03247	43.2
285.03961	9.7
286.04370	0.5
327.05145	1.0
447.09293	100.0
448.09641	6.3
465.94879	0.2
771.44421	0.2
806.89276	0.2
893.60956	0.2
913.33173	0.2
949.44543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.0
70.45989	0.4
71.01382	13.6
71.52050	0.6
72.99309	1.0
73.02945	3.0
75.00850	0.4
81.03444	0.9
83.01355	1.8
83.04993	0.4
85.02960	3.1
87.00880	3.4
89.02445	12.3
93.03378	0.6
95.01385	1.2
96.96008	1.0
97.02956	2.2
99.00886	1.0
101.02442	11.9
111.04523	0.6
112.04101	0.4
113.02460	5.5
113.09724	1.7
115.03992	0.6
116.92854	1.4
119.03487	3.0
125.02458	4.7
127.03932	0.4
131.03415	0.5
133.05095	0.8
143.03491	2.2
145.06352	0.4
161.04546	2.4
167.03528	0.5
177.12790	0.5
179.05614	3.1
179.14337	0.9
179.66718	0.4
188.07237	0.5
193.48190	0.4
195.13901	14.7
200.07121	0.9
221.06697	1.2
235.08228	5.7
251.23747	0.6
253.09286	1.3
255.23279	36.2
256.23697	1.5
277.09274	0.5
277.21716	13.3
278.22128	1.0
287.07724	2.2
295.22769	100.0
296.23096	5.3
305.08710	2.4
323.09766	0.6
365.90976	0.4
397.13486	65.2
398.13983	3.1
415.14548	17.5
416.14789	1.0
647.94513	0.4
653.37573	8.2
654.38153	0.8
832.61212	0.4
949.50995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	0.7
69.03453	0.9
69.69381	1.1
71.01381	14.0
72.99296	1.6
73.02940	0.6
74.64840	0.2
75.00871	17.4
81.03453	1.1
83.01392	1.8
85.02948	3.3
87.00874	4.5
89.02435	1.6
89.53847	0.3
93.03452	0.8
95.01396	0.5
95.05014	0.6
97.02940	1.5
98.19906	0.4
99.00877	7.3
99.04526	0.7
101.02424	0.6
103.00367	3.4
109.02935	0.6
111.00904	1.1
111.04504	0.5
113.02436	0.8
117.01921	0.4
117.03457	1.2
119.05026	18.2
120.05390	0.6
121.02940	0.7
123.04544	2.3
125.02437	4.4
129.01941	17.2
131.03494	1.4
133.06575	0.7
134.03719	1.0
135.04510	1.1
137.02444	1.4
137.06178	0.3
139.03999	0.6
141.01942	0.6
145.02934	4.0
149.02481	0.3
151.04015	0.6
153.05624	0.3
159.02980	2.0
161.06100	2.0
163.04007	26.1
164.04346	0.7
165.05569	0.5
167.03485	5.3
167.04913	0.3
168.03909	0.3
175.03934	0.4
177.04056	11.2
177.05536	0.7
179.03502	1.6
180.09729	0.2
181.05115	0.4
191.03516	0.4
193.03461	0.4
193.05037	1.0
195.05090	47.6
196.05362	1.0
197.04579	2.3
203.07213	0.3
205.05057	1.7
209.04547	9.5
210.04985	0.5
211.07620	0.3
217.05099	0.4
221.04590	0.6
235.06087	0.4
239.05583	8.5
240.05887	0.4
251.05487	0.6
255.03004	0.6
265.07040	1.6
269.06592	3.9
278.04001	0.3
281.06598	0.7
283.02518	1.2
285.04004	0.8
299.07770	0.9
311.07742	0.6
323.07687	1.0
329.08826	1.2
339.07321	0.4
341.08755	100.0
342.09137	4.5
369.08157	0.6
371.07718	2.6
401.08722	1.9
419.11978	1.0
431.09732	0.5
447.09299	0.5
461.10834	3.9
462.11105	0.4
473.11115	0.3
485.06143	0.2
491.11871	3.4
492.13013	0.3
521.13104	0.4
563.14124	0.5
581.15094	12.9
582.15002	1.3
588.45624	0.3
609.14587	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	951.241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.5
71.01363	2.6
73.02942	2.4
81.03455	10.0
83.01379	11.2
85.02934	1.4
93.03440	2.8
95.01396	3.6
95.05043	5.9
97.02949	6.3
98.19890	2.2
99.04525	5.9
103.00365	3.7
107.05032	2.7
109.02959	2.6
111.04491	3.9
113.02432	2.4
117.03481	5.4
119.05011	2.5
121.02975	4.8
121.06609	1.1
123.00861	1.0
123.04530	23.9
124.01627	0.9
125.02450	35.0
125.06120	1.1
133.01465	1.2
135.04501	5.2
137.02469	9.8
137.06059	2.4
138.03276	1.1
139.04045	4.9
145.03006	0.9
147.04460	2.0
149.02408	1.9
149.06070	0.9
151.03975	4.4
153.05563	3.3
155.03458	1.9
161.02487	1.4
161.06084	1.5
163.03989	3.2
165.01888	2.3
165.05571	3.7
166.02734	1.3
167.03503	51.4
177.01933	2.2
179.03493	12.4
181.05055	2.9
191.03534	2.4
193.05055	2.3
197.04546	12.2
207.02991	1.4
209.04553	100.0
210.04936	2.4
221.04564	4.9
233.04620	1.3
235.02539	1.5
235.06166	1.5
239.05608	78.3
240.05931	2.9
251.05516	5.0
261.74612	1.0
269.06677	27.9
270.07178	1.0
277.03775	1.2
281.06592	4.3
293.06796	1.8
307.04538	1.6
311.07715	4.8
329.08868	10.1
329.90475	1.0
339.07227	1.9
341.08688	2.8
359.09729	3.9
371.07730	37.2
372.07870	1.6
383.07620	1.6
401.08780	26.0
402.09222	1.8
431.09787	6.0
449.12900	4.4
473.10980	6.7
491.11966	56.5
492.12558	4.4
503.11649	4.6
521.13007	6.7
593.15033	6.7
611.16174	81.9
612.16492	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	951.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.5
73.02953	0.9
76.14032	0.2
83.01391	2.1
87.04519	0.4
98.19826	0.3
101.02430	1.0
106.55957	0.2
107.01370	1.1
108.02217	0.2
109.06570	0.3
125.02441	1.0
127.07636	0.2
136.42050	0.2
137.16385	0.2
139.11292	1.1
144.68935	0.2
147.04524	0.2
148.01613	0.3
151.00374	3.2
151.11316	0.2
153.01944	0.2
156.83546	0.2
164.01091	0.3
169.01405	0.3
169.12332	0.7
178.99841	0.4
181.12360	0.6
183.04512	0.3
183.10255	3.2
189.01849	0.2
197.11778	0.3
199.03972	1.9
201.01892	0.7
203.03606	0.3
204.04282	0.6
205.04945	0.2
215.03511	1.7
225.11322	3.2
226.02623	0.3
227.03474	2.1
228.03993	0.3
229.01393	0.4
242.02177	4.3
243.02969	28.2
243.12363	4.5
244.03342	1.3
249.11357	0.3
255.02950	0.8
257.04544	8.0
258.04803	0.3
267.12372	0.6
270.01682	6.9
270.04657	0.4
271.02460	27.1
272.03033	1.5
283.02472	0.7
285.04037	15.7
285.13525	0.8
286.04773	4.6
291.12366	0.6
299.01959	7.2
299.05319	0.4
300.02719	12.1
301.03183	0.5
309.13489	0.4
313.03470	1.6
313.06757	0.3
314.04315	46.7
315.05063	29.3
316.05536	1.6
327.14511	2.4
328.14960	0.3
329.06573	0.3
348.47781	0.2
357.06158	1.5
387.16592	12.7
388.16971	0.9
414.55368	0.2
476.01651	0.3
477.10489	1.4
519.11414	100.0
520.11700	8.2
584.48077	0.2
703.22205	2.6
704.22943	0.3
865.26520	0.2
874.88507	0.3
907.28668	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	961.298
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	10.6
72.99312	1.6
82.46326	0.1
87.00872	0.4
89.02441	1.5
93.03465	0.3
95.18907	0.2
101.84895	0.2
109.36322	0.2
112.60870	0.2
115.00374	33.4
117.03459	0.1
119.05028	25.4
120.05362	0.5
133.01430	100.0
134.01765	1.4
134.03748	0.7
163.04007	34.2
164.04395	0.6
182.92892	0.2
191.10843	0.3
193.05043	1.2
276.45523	0.1
279.05093	6.4
280.05435	0.4
383.07715	0.2
563.13947	1.2
938.53943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17719	0.8
69.18152	1.2
73.02946	0.7
78.29910	0.2
78.86079	0.2
83.01394	1.5
101.02466	0.5
107.01373	0.9
117.03477	0.5
119.05035	0.2
125.02444	0.8
135.04500	0.3
137.02420	0.3
139.11285	0.8
151.00349	1.7
165.01964	0.3
169.01437	0.2
169.06572	0.2
169.12338	0.4
169.64735	0.2
171.10080	0.2
174.03186	0.5
175.03987	0.3
178.99840	0.3
179.10760	0.4
181.12361	0.5
183.04443	0.7
183.10252	2.9
185.06100	0.4
197.11859	0.5
211.03983	1.0
213.05641	0.2
218.72253	0.2
225.11307	2.8
227.03482	46.2
228.03844	2.0
229.04904	0.4
239.03479	0.7
240.04121	0.2
241.05043	0.4
243.12363	3.6
255.02975	60.9
256.03625	7.2
257.04431	0.6
267.03085	0.2
267.12402	0.4
268.03885	0.3
269.04553	0.3
283.02466	2.6
283.05600	0.3
284.03250	57.8
285.03973	21.2
285.13370	0.6
286.04404	0.9
291.12274	0.5
309.13379	0.3
327.05127	1.2
327.14508	2.4
387.16580	8.3
388.16931	0.6
391.47159	0.2
471.09375	0.7
489.10367	0.9
531.11395	100.0
532.11792	7.3
639.24060	0.2
673.21411	0.8
693.53687	0.3
723.82446	0.2
919.29376	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19234	1.5
69.19656	1.3
71.01387	1.9
72.99270	0.3
73.02930	0.5
75.00883	0.3
80.30772	0.3
85.02956	1.0
87.45961	0.3
98.20697	0.7
101.02447	0.8
103.00371	60.9
104.00695	0.5
110.70036	0.3
113.02430	2.3
117.92821	0.3
137.09625	0.4
139.11290	14.5
151.00420	0.6
163.11308	0.7
165.09132	0.4
178.99783	0.3
181.12329	8.3
183.10251	18.4
199.13426	2.2
225.11307	7.7
227.03603	0.4
243.12352	59.2
244.12651	2.3
255.03000	1.3
257.13989	0.5
271.02359	2.4
285.13425	13.2
286.09198	0.3
286.13730	0.7
287.84772	0.4
293.90909	0.3
300.02689	4.2
301.03430	1.3
315.14474	10.3
339.14368	1.5
375.16553	13.0
376.16739	0.8
401.14505	0.8
419.15567	100.0
420.15894	5.5
505.09906	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	971.5941
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.5
71.01381	16.5
71.51786	0.5
72.99285	1.0
73.02934	2.7
81.03447	0.6
81.41739	0.6
83.01388	2.0
85.02953	3.9
87.00865	3.0
88.43662	0.6
89.02446	13.9
95.01381	0.9
96.95988	0.6
97.02978	2.9
98.68916	0.5
99.00909	1.2
101.01804	0.7
101.02447	11.2
113.02463	5.9
116.92875	2.5
119.03503	4.3
120.54780	0.5
125.02435	5.7
131.03421	0.5
135.04504	0.5
139.03993	0.7
143.03471	2.0
161.04558	3.2
179.05611	2.8
179.14362	0.6
183.95212	0.5
195.13911	7.4
196.14566	0.7
199.06044	0.8
199.98650	0.5
200.65535	0.5
205.12328	1.1
211.13435	0.7
223.13391	6.2
228.13716	1.0
231.20992	0.6
235.08205	6.5
253.09317	0.8
256.13150	1.3
263.07632	0.8
275.20169	4.5
279.23279	44.9
280.23666	2.0
287.07693	1.9
293.21222	100.0
294.21503	4.8
305.08777	3.0
311.14453	0.5
323.09631	0.8
397.13492	75.0
398.13654	2.8
415.14600	22.4
416.14648	1.1
654.89056	0.6
677.37396	6.4
982.64587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27174	2.8
71.01389	3.8
72.99314	0.8
83.01388	0.5
89.02455	0.5
93.03451	0.3
94.29565	0.3
107.01420	0.4
115.00368	8.5
117.03461	1.0
119.05026	11.1
133.01430	17.1
146.67349	0.3
151.00363	2.2
159.04535	0.4
163.00401	0.3
163.04001	10.2
164.04274	0.3
167.05054	0.3
169.06599	0.6
171.04524	0.5
175.04068	0.3
178.99762	0.3
181.95476	0.3
183.04565	1.4
184.08026	0.4
185.06058	0.4
187.03978	0.3
191.29942	0.3
196.32771	0.3
211.04012	1.5
213.05498	0.6
227.03491	10.3
228.03839	0.4
229.05077	0.4
239.03394	0.6
241.04947	0.5
255.02979	39.7
256.03598	3.3
269.04559	1.1
279.05127	0.8
283.02466	76.8
284.03201	19.7
285.04031	57.6
286.04337	2.4
297.04004	2.0
326.04279	1.3
327.05020	2.5
351.05225	0.4
410.05698	0.3
446.08527	13.0
447.09290	6.5
448.10022	0.4
489.10352	39.0
490.10788	3.1
513.10333	0.5
524.13000	0.3
531.11401	5.9
532.11664	0.5
555.11407	0.8
561.12183	0.5
573.12354	0.6
651.15613	100.0
652.15979	8.7
883.65387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	2.8
71.51411	0.3
71.51817	0.3
72.99314	0.8
73.02972	0.5
75.00878	0.5
83.01377	0.4
85.02949	1.1
87.00880	3.5
89.02450	0.3
89.03973	0.7
99.00878	0.3
101.02433	0.5
103.00372	100.0
104.00715	1.1
108.02209	0.4
111.00848	0.3
113.02430	0.6
115.00373	5.5
117.03471	3.0
119.05042	0.2
123.04529	0.2
127.00378	0.4
129.01941	0.3
132.02173	0.6
133.02966	0.9
134.03741	32.5
135.04561	2.8
136.01656	0.7
137.02414	0.7
140.39102	0.2
144.04492	0.4
147.04510	1.4
148.05289	0.8
149.02437	0.3
149.06085	4.6
149.92410	0.2
151.03992	0.9
153.05602	0.2
155.50641	0.2
158.03752	0.9
160.01651	8.0
162.03227	0.3
163.04018	1.3
164.04797	1.0
173.06049	0.4
174.03185	1.2
175.02460	7.5
175.04001	14.5
176.04759	5.7
177.01926	0.6
177.05586	0.5
178.02744	1.3
179.07126	0.4
189.05527	0.4
190.06392	0.3
191.07132	8.9
192.04219	1.5
192.07390	0.2
193.03490	3.3
193.05042	20.3
194.05373	0.5
202.02715	2.5
206.05823	1.5
207.06604	2.9
217.05046	12.1
218.05421	0.3
219.06737	0.2
220.03706	0.4
221.08182	4.4
222.08447	0.3
235.06104	5.4
247.06009	0.6
249.08521	0.2
250.05005	0.2
255.03021	1.1
265.07156	43.2
266.07504	1.0
277.01343	0.2
279.05017	0.9
283.02405	1.8
284.03186	0.4
285.04059	1.7
307.08508	0.3
325.09183	0.3
341.08566	0.2
351.07205	0.9
369.08231	68.4
370.08493	3.1
446.08356	0.8
447.09210	0.7
502.85004	0.2
581.17126	0.2
609.14612	2.6
610.14954	0.3
663.27448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	1.3
73.02954	1.2
79.99071	0.2
83.01382	1.4
83.17570	0.2
85.02940	0.6
87.04507	0.2
96.96010	0.3
97.02930	0.2
99.04496	0.4
99.25066	0.2
101.02432	1.2
103.00363	0.5
108.07742	0.2
110.00076	0.5
113.02467	0.5
125.02428	0.4
137.99568	0.3
139.11278	1.3
143.04610	0.3
145.02934	0.3
148.01688	0.2
149.02467	0.4
151.00417	0.3
164.98279	0.7
165.99063	1.1
169.12303	0.4
170.03601	0.4
172.01651	0.9
175.03952	0.4
176.98239	0.6
179.10802	0.3
181.01430	0.4
181.12288	0.6
183.10257	3.2
185.06104	0.6
186.03242	0.8
189.01933	0.3
193.98576	0.3
197.11829	0.3
198.03227	0.4
201.05521	0.4
202.02711	3.1
204.97775	0.5
213.01906	0.6
214.02750	1.5
215.03444	0.3
225.11292	3.5
227.03453	0.4
229.01476	0.5
229.05096	1.0
230.02168	3.6
231.02626	0.3
242.02136	1.8
243.02943	0.4
243.12341	4.8
244.12373	0.2
245.04538	1.9
246.05397	0.2
249.11441	0.3
255.02963	1.1
256.03613	0.4
257.00958	0.7
257.04599	0.3
258.01666	9.7
259.02246	0.6
267.12347	0.8
270.01691	0.8
271.02585	0.3
273.04022	1.1
284.03262	0.9
285.00540	0.6
285.04028	2.0
285.13403	0.7
286.01178	26.8
287.01730	2.1
291.12302	0.5
301.03522	19.3
302.03918	1.2
306.07712	0.4
309.13269	0.4
312.99860	0.3
314.00665	3.2
315.01547	1.5
327.14417	3.0
328.02182	0.4
328.14789	0.2
329.03003	66.6
330.03680	12.1
330.07819	0.4
331.03748	0.2
343.04596	0.3
344.05328	11.0
345.06097	10.4
346.06491	0.7
366.11163	0.3
387.16583	10.9
388.16965	0.9
415.23306	0.3
445.21091	0.5
463.28110	0.2
507.11496	1.4
508.11807	0.2
534.10156	2.2
535.11072	0.3
549.12463	100.0
550.12799	7.9
559.27332	0.3
593.13129	2.2
756.58380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5889
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	0.1
71.01377	1.2
71.51751	0.2
73.02950	0.3
77.15794	0.1
81.03527	0.1
85.02935	0.3
87.00903	0.3
89.02434	0.8
97.02934	0.3
97.06593	0.2
99.08153	0.2
99.92569	0.4
101.02451	0.8
113.02451	0.4
113.09731	0.7
115.07642	0.7
116.92868	1.5
119.03477	0.4
125.02426	0.5
127.07619	0.4
128.08406	0.6
134.89449	0.1
139.11259	0.1
161.04547	0.2
167.14415	2.4
177.65605	0.1
183.13898	1.7
195.13892	8.2
196.14285	0.3
211.13335	0.8
213.15007	1.1
226.47617	0.1
229.14331	0.2
235.08199	0.5
239.23773	0.3
241.14575	0.3
242.15205	1.1
244.93031	0.1
249.22200	0.5
265.21790	0.8
267.23273	0.5
275.20203	0.4
277.21698	2.6
278.21951	0.2
283.22766	0.4
287.08011	0.2
293.21222	6.4
294.21527	0.3
305.08817	0.2
309.20999	0.2
309.65042	0.1
311.22253	100.0
312.22607	4.1
397.08331	0.3
397.13480	4.4
398.13651	0.3
415.14526	1.5
675.36414	0.3
712.74023	0.1
765.04059	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	987.5895
Annotation	Unknow
Peak:m/z	Relative Intensity
68.92294	0.2
69.03439	0.8
70.70942	0.3
70.71265	0.3
71.01382	8.7
72.99290	0.8
73.02938	1.4
81.03454	0.5
83.01379	1.2
83.04993	0.6
85.02966	1.9
87.00871	2.4
89.02445	7.5
93.03429	0.3
95.01393	0.7
97.02943	1.6
97.06574	0.4
99.00861	0.7
99.08171	1.9
99.92606	0.4
101.01793	0.5
101.02447	6.8
111.04548	0.4
113.02444	3.6
113.09736	1.7
116.92859	2.6
117.92821	0.2
119.03499	2.4
121.10209	0.3
123.08162	0.4
125.02451	3.2
125.09721	0.4
127.07655	0.6
127.11280	0.3
129.09224	4.4
129.10112	0.2
131.03499	0.4
134.89470	0.3
139.11266	0.7
141.09242	0.3
143.03493	1.1
149.04564	0.3
149.81990	0.2
151.11269	0.6
153.12846	0.7
155.54752	0.2
161.04558	1.7
163.11182	0.3
165.12833	0.5
167.10704	0.4
167.14400	0.5
169.12332	1.9
171.10254	2.4
179.05627	1.6
181.12317	3.0
183.13908	1.8
185.11864	0.2
193.12334	1.6
196.22392	0.2
197.11832	6.2
199.13406	3.2
201.11328	0.5
210.16040	0.3
211.13403	11.6
221.06631	1.0
235.08215	3.8
245.06461	0.3
249.22214	0.4
253.09213	0.9
263.07544	0.4
265.21713	0.6
274.32306	0.3
275.20261	1.7
277.21719	23.4
278.22070	0.8
287.07727	1.3
293.21231	8.9
294.21591	0.4
305.08716	1.7
309.16986	0.3
311.22266	100.0
312.19019	0.3
312.22626	4.3
323.09711	0.3
379.12582	0.3
381.68277	0.2
397.13495	45.0
398.13678	1.3
415.14563	13.2
416.14722	0.4
451.42548	0.3
459.50150	0.3
650.76575	0.3
675.35883	3.3
676.36719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02496	2.5
71.52991	1.5
73.04071	8.7
82.02972	2.8
82.06625	1.3
83.02524	2.2
87.05632	1.4
88.04036	1.0
95.02495	2.5
95.43172	0.9
96.00907	21.6
98.02475	10.5
99.01993	8.0
109.04076	5.1
110.02473	11.0
111.01983	2.5
112.05127	1.5
113.03575	14.6
115.05117	3.5
123.05704	1.0
124.04038	1.4
124.04996	1.1
125.03540	1.9
128.04660	2.0
129.10336	12.7
130.06235	13.6
130.08739	48.7
135.02031	1.1
136.07648	1.0
137.03554	1.2
139.05098	1.1
139.08760	3.6
140.10823	1.2
141.10316	1.4
143.11844	2.1
146.06088	3.8
149.03522	2.1
151.08740	6.9
152.07164	2.3
153.03055	9.3
155.08286	3.0
155.11908	3.2
157.13463	23.9
166.06203	1.9
166.08679	2.5
167.04613	2.3
167.08313	1.1
167.10631	2.8
167.11905	1.6
168.11411	12.2
169.09790	4.1
170.05742	1.9
179.11911	1.2
182.05745	1.8
183.11366	5.1
186.12462	7.4
192.04123	2.4
198.07889	1.1
200.13985	1.9
201.12425	12.6
209.06790	3.8
210.05214	8.9
210.12468	12.3
212.10356	1.3
225.13559	1.3
227.07857	7.7
228.13545	4.6
233.13005	1.2
241.13530	6.3
258.16046	3.9
270.21841	13.7
276.17209	1.5
280.13208	1.4
283.02496	1.1
296.19806	1.9
314.20862	4.0
315.18130	1.6
325.22461	1.2
327.23917	3.5
333.15616	2.5
333.19302	1.3
353.21863	1.2
357.19324	7.3
371.22946	10.5
375.20230	9.3
394.17401	1.4
428.25085	9.3
472.27731	2.2
508.24301	7.3
525.27008	9.7
569.29810	2.4
901.47864	18.9
902.48071	2.0
928.48602	2.2
945.50452	100.0
946.50732	12.6
971.51825	1.4
989.53101	89.5
990.53296	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	996.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	0.7
70.89146	0.1
71.01382	12.7
71.51628	0.3
72.99313	2.3
73.02964	0.9
74.81516	0.1
75.00873	10.3
79.98942	0.1
81.03448	0.4
83.01382	0.8
83.05019	0.2
84.02182	0.3
85.02952	15.7
87.00340	0.3
87.00875	5.1
89.02447	3.4
91.04016	0.6
91.05532	6.5
93.03449	0.6
95.01390	3.9
95.79282	0.1
96.96036	0.3
97.02962	0.2
99.00885	6.3
99.01540	0.3
99.04515	0.3
101.02427	0.7
103.00370	1.9
107.05048	0.1
109.03002	0.2
111.00887	0.7
111.04504	0.3
112.01659	0.4
113.02454	21.3
114.02804	0.2
115.00375	1.2
117.01953	1.6
117.03465	2.9
119.04992	0.6
121.02976	0.8
129.01939	1.4
130.08716	0.4
131.03499	0.6
135.04530	4.4
145.02950	0.5
147.02991	0.2
149.04562	0.5
157.01450	0.7
163.04053	0.4
175.02464	1.8
183.96852	0.1
189.04007	0.4
191.05676	0.1
201.84550	0.1
205.07239	0.8
207.05127	1.3
223.08220	0.5
231.05132	1.4
249.06145	20.7
250.06459	0.4
263.07657	0.2
267.07199	59.7
268.07611	1.3
302.17590	3.2
303.17761	0.1
325.09097	0.3
352.26031	0.1
363.27039	0.1
385.11383	100.0
386.11703	4.0
460.39233	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	1.0
69.77352	1.3
69.77763	2.7
71.01379	18.8
72.99297	2.0
73.02940	2.3
83.01403	2.0
84.02170	1.9
84.04570	1.0
85.02944	4.2
87.00869	3.1
89.02444	15.2
95.01364	1.3
95.03769	2.1
95.05035	2.3
96.04563	1.3
96.27662	0.7
96.96003	5.5
97.01722	0.9
97.02953	3.0
97.06586	2.7
98.02453	0.8
98.19940	0.8
99.00876	0.9
101.02438	14.0
107.05028	10.3
110.03766	1.0
112.04053	9.2
113.02453	7.2
116.92862	1.1
119.03505	4.3
122.06113	6.0
123.04518	1.7
124.07700	0.9
125.02463	4.6
125.06065	4.5
131.03552	0.9
134.89493	0.6
135.06920	2.6
136.07668	1.1
138.05568	1.0
140.13120	0.6
143.03497	2.2
150.05597	5.9
151.04022	2.7
152.14594	0.9
155.10785	2.5
161.04610	3.8
165.86528	0.7
166.04965	0.9
168.06647	7.0
171.10272	23.0
179.05618	4.6
183.13948	0.7
197.11993	0.7
216.17479	1.0
221.06679	2.4
234.18652	2.4
235.06163	0.9
235.08142	5.1
235.16884	1.5
253.09256	0.7
256.80609	0.7
260.16568	4.8
261.14926	1.1
264.63818	0.7
277.21713	39.1
278.17599	100.0
278.22403	2.7
279.18204	4.4
287.07684	0.8
296.18536	1.0
305.08743	1.9
309.20862	0.8
323.09888	0.9
379.12445	9.6
397.13464	32.5
398.13947	1.3
415.14548	7.1
551.23419	3.4
569.24432	2.0
640.28491	0.8
657.34564	3.3
658.30731	11.0
659.31036	1.3
675.35730	5.8
676.31763	13.1
677.32288	1.0
829.46460	1.6
862.72736	0.9
936.52991	10.3
962.50610	1.1
980.51892	2.9
998.53217	49.3
999.54193	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	998.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90377	100.0
69.90789	65.9
98.19838	40.6
167.76939	39.8
454.22037	41.3
694.47198	51.3
708.16083	41.3
END